USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 602 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 71 LYS NZ :NH3+ -142:sc= 1.17 (180deg=0) USER MOD Set 1.2: A 74 SER OG : rot -130:sc= 0.872 USER MOD Set 2.1: A 28 LYS NZ :NH3+ 142:sc= 0 (180deg=-0.987) USER MOD Set 2.2: A 31 SER OG : rot -130:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot -71:sc= -3.48! USER MOD Single : A 9 ASN :FLIP amide:sc= -0.0412 F(o=-1.1,f=-0.041) USER MOD Single : A 18 ASN : amide:sc= -1.86! C(o=-1.9!,f=-6.9!) USER MOD Single : A 20 SER OG : rot 87:sc= 1.26 USER MOD Single : A 23 LYS NZ :NH3+ -144:sc= -0.342 (180deg=-1.89!) USER MOD Single : A 26 LYS NZ :NH3+ -172:sc= 0.903 (180deg=0.756) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 144:sc= 0.166 (180deg=-0.674) USER MOD Single : A 38 THR OG1 : rot 62:sc= 1.27 USER MOD Single : A 39 MET CE :methyl -112:sc= -0.424 (180deg=-2.77!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.216 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -63:sc= -0.0938 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -136:sc= 0.154 USER MOD Single : A 70 LYS NZ :NH3+ 179:sc= 1.29 (180deg=1.23) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.630 -17.861 -8.682 1.00 0.00 N ATOM 2 CA MET A 1 -8.814 -16.754 -8.137 1.00 0.00 C ATOM 3 C MET A 1 -8.753 -16.817 -6.615 1.00 0.00 C ATOM 4 O MET A 1 -7.866 -17.466 -6.059 1.00 0.00 O ATOM 5 CB MET A 1 -9.362 -15.394 -8.584 1.00 0.00 C ATOM 6 CG MET A 1 -8.983 -15.019 -10.006 1.00 0.00 C ATOM 7 SD MET A 1 -7.199 -14.926 -10.237 1.00 0.00 S ATOM 8 CE MET A 1 -7.106 -14.383 -11.942 1.00 0.00 C ATOM 0 H1 MET A 1 -9.656 -17.795 -9.720 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.211 -18.771 -8.403 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.598 -17.796 -8.307 1.00 0.00 H new ATOM 0 HA MET A 1 -7.804 -16.867 -8.530 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.449 -15.404 -8.498 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.996 -14.624 -7.905 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.399 -15.753 -10.696 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.430 -14.057 -10.257 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.061 -14.279 -12.234 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.591 -15.118 -12.585 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.609 -13.422 -12.046 1.00 0.00 H new ATOM 20 N SER A 2 -9.711 -16.163 -5.951 1.00 0.00 N ATOM 21 CA SER A 2 -9.740 -16.094 -4.491 1.00 0.00 C ATOM 22 C SER A 2 -8.437 -15.498 -3.962 1.00 0.00 C ATOM 23 O SER A 2 -7.883 -15.961 -2.963 1.00 0.00 O ATOM 24 CB SER A 2 -9.982 -17.484 -3.892 1.00 0.00 C ATOM 25 OG SER A 2 -11.232 -18.011 -4.315 1.00 0.00 O ATOM 0 H SER A 2 -10.480 -15.672 -6.407 1.00 0.00 H new ATOM 0 HA SER A 2 -10.563 -15.445 -4.190 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.179 -18.158 -4.192 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.958 -17.424 -2.804 1.00 0.00 H new ATOM 0 HG SER A 2 -11.363 -18.899 -3.921 1.00 0.00 H new ATOM 31 N ILE A 3 -7.975 -14.444 -4.618 1.00 0.00 N ATOM 32 CA ILE A 3 -6.707 -13.825 -4.276 1.00 0.00 C ATOM 33 C ILE A 3 -6.928 -12.716 -3.264 1.00 0.00 C ATOM 34 O ILE A 3 -6.566 -11.561 -3.482 1.00 0.00 O ATOM 35 CB ILE A 3 -5.970 -13.277 -5.520 1.00 0.00 C ATOM 36 CG1 ILE A 3 -6.883 -12.359 -6.342 1.00 0.00 C ATOM 37 CG2 ILE A 3 -5.463 -14.429 -6.378 1.00 0.00 C ATOM 38 CD1 ILE A 3 -6.191 -11.704 -7.517 1.00 0.00 C ATOM 0 H ILE A 3 -8.464 -13.999 -5.394 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.072 -14.596 -3.839 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.119 -12.687 -5.180 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.731 -12.938 -6.708 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.285 -11.583 -5.690 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.946 -14.032 -7.251 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.774 -15.041 -5.795 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.306 -15.040 -6.702 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -6.900 -11.070 -8.050 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.360 -11.097 -7.158 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.813 -12.473 -8.191 1.00 0.00 H new ATOM 50 N GLU A 4 -7.574 -13.083 -2.173 1.00 0.00 N ATOM 51 CA GLU A 4 -7.815 -12.167 -1.069 1.00 0.00 C ATOM 52 C GLU A 4 -6.514 -11.738 -0.414 1.00 0.00 C ATOM 53 O GLU A 4 -5.965 -12.435 0.440 1.00 0.00 O ATOM 54 CB GLU A 4 -8.741 -12.798 -0.039 1.00 0.00 C ATOM 55 CG GLU A 4 -10.153 -12.961 -0.548 1.00 0.00 C ATOM 56 CD GLU A 4 -11.029 -13.752 0.397 1.00 0.00 C ATOM 57 OE1 GLU A 4 -10.979 -14.998 0.359 1.00 0.00 O ATOM 58 OE2 GLU A 4 -11.780 -13.135 1.179 1.00 0.00 O ATOM 0 H GLU A 4 -7.946 -14.021 -2.025 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.298 -11.279 -1.476 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.348 -13.773 0.248 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.752 -12.181 0.860 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.593 -11.976 -0.706 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.130 -13.459 -1.517 1.00 0.00 H new ATOM 65 N VAL A 5 -6.030 -10.594 -0.844 1.00 0.00 N ATOM 66 CA VAL A 5 -4.808 -10.022 -0.306 1.00 0.00 C ATOM 67 C VAL A 5 -5.136 -9.160 0.909 1.00 0.00 C ATOM 68 O VAL A 5 -6.052 -8.339 0.861 1.00 0.00 O ATOM 69 CB VAL A 5 -4.082 -9.156 -1.360 1.00 0.00 C ATOM 70 CG1 VAL A 5 -2.671 -8.827 -0.912 1.00 0.00 C ATOM 71 CG2 VAL A 5 -4.062 -9.845 -2.717 1.00 0.00 C ATOM 0 H VAL A 5 -6.468 -10.033 -1.574 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.150 -10.843 -0.019 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.637 -8.223 -1.461 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.181 -8.217 -1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.707 -8.277 0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.109 -9.750 -0.771 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.545 -9.213 -3.439 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.542 -10.799 -2.633 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.085 -10.017 -3.053 1.00 0.00 H new ATOM 81 N ARG A 6 -4.407 -9.359 1.997 1.00 0.00 N ATOM 82 CA ARG A 6 -4.642 -8.603 3.220 1.00 0.00 C ATOM 83 C ARG A 6 -3.372 -7.864 3.631 1.00 0.00 C ATOM 84 O ARG A 6 -2.297 -8.133 3.102 1.00 0.00 O ATOM 85 CB ARG A 6 -5.113 -9.530 4.343 1.00 0.00 C ATOM 86 CG ARG A 6 -6.279 -10.400 3.954 1.00 0.00 C ATOM 87 CD ARG A 6 -6.518 -11.492 4.970 1.00 0.00 C ATOM 88 NE ARG A 6 -7.656 -12.332 4.604 1.00 0.00 N ATOM 89 CZ ARG A 6 -7.578 -13.399 3.810 1.00 0.00 C ATOM 90 NH1 ARG A 6 -6.409 -13.785 3.311 1.00 0.00 N ATOM 91 NH2 ARG A 6 -8.674 -14.085 3.515 1.00 0.00 N ATOM 0 H ARG A 6 -3.648 -10.037 2.059 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.427 -7.870 3.033 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.283 -10.165 4.651 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.392 -8.928 5.208 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.176 -9.787 3.859 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.092 -10.845 2.977 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.624 -12.109 5.058 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.695 -11.046 5.949 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.571 -12.085 4.981 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.562 -13.263 3.535 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.359 -14.603 2.704 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -9.575 -13.795 3.896 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.616 -14.902 2.907 1.00 0.00 H new ATOM 105 N ASP A 7 -3.499 -6.933 4.564 1.00 0.00 N ATOM 106 CA ASP A 7 -2.362 -6.139 5.019 1.00 0.00 C ATOM 107 C ASP A 7 -1.671 -6.823 6.197 1.00 0.00 C ATOM 108 O ASP A 7 -1.873 -8.016 6.440 1.00 0.00 O ATOM 109 CB ASP A 7 -2.822 -4.725 5.412 1.00 0.00 C ATOM 110 CG ASP A 7 -3.743 -4.701 6.620 1.00 0.00 C ATOM 111 OD1 ASP A 7 -4.315 -5.754 6.967 1.00 0.00 O ATOM 112 OD2 ASP A 7 -3.891 -3.627 7.232 1.00 0.00 O ATOM 0 H ASP A 7 -4.381 -6.706 5.024 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.646 -6.056 4.201 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.946 -4.111 5.621 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.335 -4.270 4.565 1.00 0.00 H new ATOM 117 N CYS A 8 -0.872 -6.066 6.940 1.00 0.00 N ATOM 118 CA CYS A 8 -0.160 -6.610 8.095 1.00 0.00 C ATOM 119 C CYS A 8 -1.106 -6.784 9.281 1.00 0.00 C ATOM 120 O CYS A 8 -0.692 -7.157 10.381 1.00 0.00 O ATOM 121 CB CYS A 8 0.997 -5.689 8.481 1.00 0.00 C ATOM 122 SG CYS A 8 0.495 -3.980 8.782 1.00 0.00 S ATOM 0 H CYS A 8 -0.700 -5.076 6.766 1.00 0.00 H new ATOM 0 HA CYS A 8 0.237 -7.588 7.823 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.478 -6.080 9.377 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.743 -5.705 7.686 1.00 0.00 H new ATOM 0 HG CYS A 8 0.166 -3.420 7.656 1.00 0.00 H new ATOM 128 N ASN A 9 -2.376 -6.496 9.044 1.00 0.00 N ATOM 129 CA ASN A 9 -3.407 -6.631 10.054 1.00 0.00 C ATOM 130 C ASN A 9 -4.267 -7.838 9.748 1.00 0.00 C ATOM 131 O ASN A 9 -4.527 -8.679 10.606 1.00 0.00 O ATOM 132 CB ASN A 9 -4.292 -5.386 10.060 1.00 0.00 C ATOM 133 CG ASN A 9 -5.224 -5.327 11.255 1.00 0.00 C ATOM 134 OD1 ASN A 9 -4.762 -5.804 12.398 1.00 0.00 O flip ATOM 135 ND2 ASN A 9 -6.344 -4.830 11.151 1.00 0.00 N flip ATOM 0 H ASN A 9 -2.719 -6.162 8.143 1.00 0.00 H new ATOM 0 HA ASN A 9 -2.932 -6.751 11.028 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -3.660 -4.498 10.055 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -4.883 -5.362 9.144 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -6.662 -4.473 10.250 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -6.955 -4.774 11.966 1.00 0.00 H new ATOM 142 N GLY A 10 -4.684 -7.909 8.497 1.00 0.00 N ATOM 143 CA GLY A 10 -5.614 -8.923 8.069 1.00 0.00 C ATOM 144 C GLY A 10 -6.802 -8.305 7.365 1.00 0.00 C ATOM 145 O GLY A 10 -7.777 -8.985 7.048 1.00 0.00 O ATOM 0 H GLY A 10 -4.388 -7.269 7.760 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.113 -9.622 7.399 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.955 -9.496 8.931 1.00 0.00 H new ATOM 149 N ALA A 11 -6.712 -7.000 7.124 1.00 0.00 N ATOM 150 CA ALA A 11 -7.744 -6.277 6.401 1.00 0.00 C ATOM 151 C ALA A 11 -7.557 -6.487 4.909 1.00 0.00 C ATOM 152 O ALA A 11 -6.434 -6.440 4.406 1.00 0.00 O ATOM 153 CB ALA A 11 -7.699 -4.794 6.746 1.00 0.00 C ATOM 0 H ALA A 11 -5.927 -6.421 7.423 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.722 -6.659 6.694 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.479 -4.268 6.195 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.860 -4.664 7.816 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.725 -4.387 6.474 1.00 0.00 H new ATOM 159 N LEU A 12 -8.649 -6.726 4.210 1.00 0.00 N ATOM 160 CA LEU A 12 -8.592 -7.085 2.805 1.00 0.00 C ATOM 161 C LEU A 12 -8.416 -5.867 1.910 1.00 0.00 C ATOM 162 O LEU A 12 -9.067 -4.835 2.098 1.00 0.00 O ATOM 163 CB LEU A 12 -9.846 -7.866 2.424 1.00 0.00 C ATOM 164 CG LEU A 12 -9.844 -9.312 2.910 1.00 0.00 C ATOM 165 CD1 LEU A 12 -11.244 -9.894 2.898 1.00 0.00 C ATOM 166 CD2 LEU A 12 -8.928 -10.146 2.039 1.00 0.00 C ATOM 0 H LEU A 12 -9.593 -6.678 4.594 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.716 -7.715 2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.718 -7.356 2.834 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.952 -7.858 1.339 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.480 -9.327 3.937 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.212 -10.925 3.249 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.888 -9.307 3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.640 -9.868 1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.931 -11.178 2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.278 -10.114 1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.915 -9.748 2.091 1.00 0.00 H new ATOM 178 N LEU A 13 -7.522 -6.008 0.942 1.00 0.00 N ATOM 179 CA LEU A 13 -7.222 -4.955 -0.011 1.00 0.00 C ATOM 180 C LEU A 13 -7.920 -5.225 -1.335 1.00 0.00 C ATOM 181 O LEU A 13 -8.408 -6.330 -1.576 1.00 0.00 O ATOM 182 CB LEU A 13 -5.710 -4.874 -0.243 1.00 0.00 C ATOM 183 CG LEU A 13 -4.887 -4.468 0.975 1.00 0.00 C ATOM 184 CD1 LEU A 13 -3.404 -4.655 0.702 1.00 0.00 C ATOM 185 CD2 LEU A 13 -5.181 -3.026 1.347 1.00 0.00 C ATOM 0 H LEU A 13 -6.983 -6.862 0.797 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.580 -4.009 0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.359 -5.846 -0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.519 -4.161 -1.045 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.164 -5.108 1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.832 -4.360 1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.205 -5.702 0.474 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.109 -4.037 -0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.588 -2.747 2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.926 -2.375 0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.240 -2.919 1.580 1.00 0.00 H new ATOM 197 N ALA A 14 -7.948 -4.215 -2.192 1.00 0.00 N ATOM 198 CA ALA A 14 -8.555 -4.337 -3.506 1.00 0.00 C ATOM 199 C ALA A 14 -8.066 -3.225 -4.425 1.00 0.00 C ATOM 200 O ALA A 14 -7.331 -2.336 -3.995 1.00 0.00 O ATOM 201 CB ALA A 14 -10.070 -4.310 -3.393 1.00 0.00 C ATOM 0 H ALA A 14 -7.553 -3.295 -1.997 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.258 -5.293 -3.938 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.511 -4.402 -4.386 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.403 -5.140 -2.769 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.385 -3.369 -2.943 1.00 0.00 H new ATOM 207 N ASP A 15 -8.461 -3.294 -5.688 1.00 0.00 N ATOM 208 CA ASP A 15 -8.103 -2.268 -6.665 1.00 0.00 C ATOM 209 C ASP A 15 -8.709 -0.921 -6.282 1.00 0.00 C ATOM 210 O ASP A 15 -9.929 -0.782 -6.204 1.00 0.00 O ATOM 211 CB ASP A 15 -8.582 -2.674 -8.062 1.00 0.00 C ATOM 212 CG ASP A 15 -8.285 -1.621 -9.113 1.00 0.00 C ATOM 213 OD1 ASP A 15 -9.132 -0.733 -9.332 1.00 0.00 O ATOM 214 OD2 ASP A 15 -7.206 -1.689 -9.739 1.00 0.00 O ATOM 0 H ASP A 15 -9.032 -4.051 -6.064 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.017 -2.172 -6.674 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.104 -3.611 -8.347 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.656 -2.860 -8.033 1.00 0.00 H new ATOM 219 N GLY A 16 -7.847 0.055 -6.036 1.00 0.00 N ATOM 220 CA GLY A 16 -8.298 1.381 -5.669 1.00 0.00 C ATOM 221 C GLY A 16 -8.081 1.669 -4.198 1.00 0.00 C ATOM 222 O GLY A 16 -8.386 2.764 -3.717 1.00 0.00 O ATOM 0 H GLY A 16 -6.834 -0.050 -6.085 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.766 2.122 -6.266 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.357 1.482 -5.905 1.00 0.00 H new ATOM 226 N ASP A 17 -7.543 0.692 -3.481 1.00 0.00 N ATOM 227 CA ASP A 17 -7.336 0.823 -2.045 1.00 0.00 C ATOM 228 C ASP A 17 -6.039 1.565 -1.754 1.00 0.00 C ATOM 229 O ASP A 17 -5.281 1.898 -2.666 1.00 0.00 O ATOM 230 CB ASP A 17 -7.313 -0.546 -1.363 1.00 0.00 C ATOM 231 CG ASP A 17 -7.995 -0.513 -0.010 1.00 0.00 C ATOM 232 OD1 ASP A 17 -7.649 0.361 0.813 1.00 0.00 O ATOM 233 OD2 ASP A 17 -8.911 -1.331 0.220 1.00 0.00 O ATOM 0 H ASP A 17 -7.242 -0.201 -3.871 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.171 1.396 -1.643 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.807 -1.278 -2.001 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.281 -0.874 -1.242 1.00 0.00 H new ATOM 238 N ASN A 18 -5.795 1.831 -0.485 1.00 0.00 N ATOM 239 CA ASN A 18 -4.624 2.585 -0.063 1.00 0.00 C ATOM 240 C ASN A 18 -3.958 1.937 1.138 1.00 0.00 C ATOM 241 O ASN A 18 -4.625 1.485 2.069 1.00 0.00 O ATOM 242 CB ASN A 18 -4.994 4.036 0.260 1.00 0.00 C ATOM 243 CG ASN A 18 -6.380 4.180 0.857 1.00 0.00 C ATOM 244 OD1 ASN A 18 -6.564 4.113 2.069 1.00 0.00 O ATOM 245 ND2 ASN A 18 -7.363 4.392 0.000 1.00 0.00 N ATOM 0 H ASN A 18 -6.398 1.533 0.282 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.916 2.582 -0.892 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.261 4.445 0.956 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.934 4.631 -0.651 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.318 4.507 0.338 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.166 4.441 -1.000 1.00 0.00 H new ATOM 252 N VAL A 19 -2.637 1.891 1.101 1.00 0.00 N ATOM 253 CA VAL A 19 -1.855 1.304 2.179 1.00 0.00 C ATOM 254 C VAL A 19 -0.766 2.265 2.636 1.00 0.00 C ATOM 255 O VAL A 19 -0.485 3.261 1.967 1.00 0.00 O ATOM 256 CB VAL A 19 -1.198 -0.034 1.766 1.00 0.00 C ATOM 257 CG1 VAL A 19 -2.253 -1.062 1.395 1.00 0.00 C ATOM 258 CG2 VAL A 19 -0.220 0.169 0.618 1.00 0.00 C ATOM 0 H VAL A 19 -2.079 2.256 0.330 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.550 1.108 2.995 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.640 -0.411 2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.767 -1.995 1.108 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.904 -1.240 2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.846 -0.690 0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.227 -0.787 0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.749 0.578 -0.243 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.563 0.862 0.925 1.00 0.00 H new ATOM 268 N SER A 20 -0.156 1.969 3.769 1.00 0.00 N ATOM 269 CA SER A 20 0.905 2.806 4.297 1.00 0.00 C ATOM 270 C SER A 20 2.030 1.948 4.875 1.00 0.00 C ATOM 271 O SER A 20 1.801 0.812 5.297 1.00 0.00 O ATOM 272 CB SER A 20 0.346 3.745 5.365 1.00 0.00 C ATOM 273 OG SER A 20 0.852 5.060 5.211 1.00 0.00 O ATOM 0 H SER A 20 -0.378 1.154 4.342 1.00 0.00 H new ATOM 0 HA SER A 20 1.317 3.403 3.484 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.742 3.762 5.303 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.603 3.368 6.355 1.00 0.00 H new ATOM 0 HG SER A 20 0.283 5.559 4.588 1.00 0.00 H new ATOM 279 N LEU A 21 3.240 2.490 4.865 1.00 0.00 N ATOM 280 CA LEU A 21 4.416 1.800 5.391 1.00 0.00 C ATOM 281 C LEU A 21 4.395 1.742 6.914 1.00 0.00 C ATOM 282 O LEU A 21 4.349 2.776 7.582 1.00 0.00 O ATOM 283 CB LEU A 21 5.689 2.511 4.921 1.00 0.00 C ATOM 284 CG LEU A 21 6.278 2.028 3.594 1.00 0.00 C ATOM 285 CD1 LEU A 21 6.964 0.692 3.784 1.00 0.00 C ATOM 286 CD2 LEU A 21 5.211 1.926 2.517 1.00 0.00 C ATOM 0 H LEU A 21 3.437 3.419 4.493 1.00 0.00 H new ATOM 0 HA LEU A 21 4.402 0.778 5.013 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.475 3.576 4.834 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.449 2.401 5.694 1.00 0.00 H new ATOM 0 HG LEU A 21 7.013 2.763 3.265 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.379 0.358 2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.767 0.796 4.514 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.241 -0.041 4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.664 1.580 1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.443 1.219 2.831 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.760 2.905 2.358 1.00 0.00 H new ATOM 298 N ILE A 22 4.458 0.531 7.459 1.00 0.00 N ATOM 299 CA ILE A 22 4.430 0.337 8.911 1.00 0.00 C ATOM 300 C ILE A 22 5.835 0.397 9.500 1.00 0.00 C ATOM 301 O ILE A 22 6.015 0.377 10.718 1.00 0.00 O ATOM 302 CB ILE A 22 3.793 -1.012 9.293 1.00 0.00 C ATOM 303 CG1 ILE A 22 4.656 -2.167 8.772 1.00 0.00 C ATOM 304 CG2 ILE A 22 2.379 -1.099 8.737 1.00 0.00 C ATOM 305 CD1 ILE A 22 4.178 -3.535 9.200 1.00 0.00 C ATOM 0 H ILE A 22 4.529 -0.332 6.920 1.00 0.00 H new ATOM 0 HA ILE A 22 3.825 1.146 9.321 1.00 0.00 H new ATOM 0 HB ILE A 22 3.739 -1.087 10.379 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.680 -2.126 7.683 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.680 -2.027 9.119 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.938 -2.057 9.013 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.776 -0.290 9.148 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.409 -1.013 7.651 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.841 -4.297 8.791 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.181 -3.598 10.288 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.166 -3.699 8.830 1.00 0.00 H new ATOM 317 N LYS A 23 6.821 0.455 8.621 1.00 0.00 N ATOM 318 CA LYS A 23 8.219 0.550 9.012 1.00 0.00 C ATOM 319 C LYS A 23 9.029 1.085 7.843 1.00 0.00 C ATOM 320 O LYS A 23 8.468 1.417 6.801 1.00 0.00 O ATOM 321 CB LYS A 23 8.765 -0.814 9.456 1.00 0.00 C ATOM 322 CG LYS A 23 8.389 -1.951 8.521 1.00 0.00 C ATOM 323 CD LYS A 23 9.373 -3.114 8.585 1.00 0.00 C ATOM 324 CE LYS A 23 9.174 -3.999 9.810 1.00 0.00 C ATOM 325 NZ LYS A 23 9.539 -3.318 11.082 1.00 0.00 N ATOM 0 H LYS A 23 6.675 0.438 7.612 1.00 0.00 H new ATOM 0 HA LYS A 23 8.301 1.231 9.859 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.851 -0.756 9.526 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.392 -1.038 10.456 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.391 -2.310 8.774 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.342 -1.575 7.499 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.269 -3.720 7.685 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.390 -2.722 8.589 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.132 -4.314 9.859 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.775 -4.902 9.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.970 -4.005 11.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.218 -2.555 10.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.685 -2.917 11.519 1.00 0.00 H new ATOM 339 N ASP A 24 10.336 1.170 8.014 1.00 0.00 N ATOM 340 CA ASP A 24 11.204 1.667 6.962 1.00 0.00 C ATOM 341 C ASP A 24 11.728 0.493 6.144 1.00 0.00 C ATOM 342 O ASP A 24 12.416 -0.380 6.677 1.00 0.00 O ATOM 343 CB ASP A 24 12.381 2.446 7.560 1.00 0.00 C ATOM 344 CG ASP A 24 12.028 3.160 8.847 1.00 0.00 C ATOM 345 OD1 ASP A 24 11.394 4.236 8.800 1.00 0.00 O ATOM 346 OD2 ASP A 24 12.384 2.639 9.922 1.00 0.00 O ATOM 0 H ASP A 24 10.819 0.901 8.871 1.00 0.00 H new ATOM 0 HA ASP A 24 10.634 2.338 6.320 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.206 1.759 7.747 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.733 3.176 6.831 1.00 0.00 H new ATOM 351 N LEU A 25 11.388 0.462 4.864 1.00 0.00 N ATOM 352 CA LEU A 25 11.818 -0.619 3.985 1.00 0.00 C ATOM 353 C LEU A 25 12.764 -0.088 2.923 1.00 0.00 C ATOM 354 O LEU A 25 12.397 0.763 2.116 1.00 0.00 O ATOM 355 CB LEU A 25 10.624 -1.308 3.306 1.00 0.00 C ATOM 356 CG LEU A 25 9.820 -2.292 4.168 1.00 0.00 C ATOM 357 CD1 LEU A 25 10.709 -3.384 4.747 1.00 0.00 C ATOM 358 CD2 LEU A 25 9.090 -1.574 5.280 1.00 0.00 C ATOM 0 H LEU A 25 10.815 1.173 4.409 1.00 0.00 H new ATOM 0 HA LEU A 25 12.332 -1.356 4.602 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.944 -0.536 2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.992 -1.843 2.430 1.00 0.00 H new ATOM 0 HG LEU A 25 9.084 -2.761 3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.106 -4.062 5.351 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.177 -3.941 3.935 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.481 -2.932 5.370 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.530 -2.297 5.873 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.811 -1.062 5.918 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.402 -0.845 4.852 1.00 0.00 H new ATOM 370 N LYS A 26 13.981 -0.588 2.930 1.00 0.00 N ATOM 371 CA LYS A 26 14.977 -0.164 1.967 1.00 0.00 C ATOM 372 C LYS A 26 15.036 -1.144 0.800 1.00 0.00 C ATOM 373 O LYS A 26 14.862 -2.349 0.977 1.00 0.00 O ATOM 374 CB LYS A 26 16.334 -0.034 2.661 1.00 0.00 C ATOM 375 CG LYS A 26 17.497 0.303 1.740 1.00 0.00 C ATOM 376 CD LYS A 26 18.247 -0.949 1.315 1.00 0.00 C ATOM 377 CE LYS A 26 18.879 -1.651 2.508 1.00 0.00 C ATOM 378 NZ LYS A 26 19.927 -0.814 3.152 1.00 0.00 N ATOM 0 H LYS A 26 14.306 -1.291 3.594 1.00 0.00 H new ATOM 0 HA LYS A 26 14.704 0.811 1.562 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.261 0.738 3.427 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.555 -0.971 3.173 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.125 0.824 0.858 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.180 0.984 2.248 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.563 -1.631 0.811 1.00 0.00 H new ATOM 0 HD3 LYS A 26 19.021 -0.684 0.595 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.107 -1.892 3.239 1.00 0.00 H new ATOM 0 HE3 LYS A 26 19.317 -2.595 2.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 20.426 -1.375 3.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 20.605 -0.492 2.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.483 0.011 3.603 1.00 0.00 H new ATOM 392 N LEU A 27 15.270 -0.611 -0.383 1.00 0.00 N ATOM 393 CA LEU A 27 15.319 -1.396 -1.600 1.00 0.00 C ATOM 394 C LEU A 27 16.703 -1.320 -2.236 1.00 0.00 C ATOM 395 O LEU A 27 17.460 -0.376 -1.976 1.00 0.00 O ATOM 396 CB LEU A 27 14.275 -0.874 -2.588 1.00 0.00 C ATOM 397 CG LEU A 27 12.814 -1.101 -2.185 1.00 0.00 C ATOM 398 CD1 LEU A 27 11.877 -0.510 -3.227 1.00 0.00 C ATOM 399 CD2 LEU A 27 12.532 -2.584 -1.994 1.00 0.00 C ATOM 0 H LEU A 27 15.433 0.386 -0.527 1.00 0.00 H new ATOM 0 HA LEU A 27 15.106 -2.436 -1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 27 14.434 0.196 -2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.445 -1.349 -3.554 1.00 0.00 H new ATOM 0 HG LEU A 27 12.639 -0.595 -1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.844 -0.680 -2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.058 0.561 -3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.057 -0.987 -4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.489 -2.722 -1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.726 -3.114 -2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.178 -2.979 -1.210 1.00 0.00 H new ATOM 411 N LYS A 28 17.015 -2.319 -3.064 1.00 0.00 N ATOM 412 CA LYS A 28 18.268 -2.388 -3.818 1.00 0.00 C ATOM 413 C LYS A 28 19.457 -2.701 -2.909 1.00 0.00 C ATOM 414 O LYS A 28 20.109 -3.734 -3.059 1.00 0.00 O ATOM 415 CB LYS A 28 18.510 -1.086 -4.590 1.00 0.00 C ATOM 416 CG LYS A 28 17.377 -0.718 -5.538 1.00 0.00 C ATOM 417 CD LYS A 28 17.581 0.661 -6.145 1.00 0.00 C ATOM 418 CE LYS A 28 18.766 0.693 -7.096 1.00 0.00 C ATOM 419 NZ LYS A 28 19.024 2.064 -7.612 1.00 0.00 N ATOM 0 H LYS A 28 16.397 -3.113 -3.232 1.00 0.00 H new ATOM 0 HA LYS A 28 18.174 -3.205 -4.533 1.00 0.00 H new ATOM 0 HB2 LYS A 28 18.655 -0.273 -3.878 1.00 0.00 H new ATOM 0 HB3 LYS A 28 19.434 -1.179 -5.161 1.00 0.00 H new ATOM 0 HG2 LYS A 28 17.312 -1.460 -6.333 1.00 0.00 H new ATOM 0 HG3 LYS A 28 16.429 -0.743 -5.000 1.00 0.00 H new ATOM 0 HD2 LYS A 28 16.679 0.959 -6.679 1.00 0.00 H new ATOM 0 HD3 LYS A 28 17.735 1.389 -5.348 1.00 0.00 H new ATOM 0 HE2 LYS A 28 19.654 0.325 -6.582 1.00 0.00 H new ATOM 0 HE3 LYS A 28 18.579 0.019 -7.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 20.050 2.222 -7.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 18.594 2.167 -8.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 18.609 2.763 -6.963 1.00 0.00 H new ATOM 433 N GLY A 29 19.726 -1.815 -1.963 1.00 0.00 N ATOM 434 CA GLY A 29 20.847 -1.995 -1.066 1.00 0.00 C ATOM 435 C GLY A 29 21.327 -0.679 -0.497 1.00 0.00 C ATOM 436 O GLY A 29 21.345 -0.486 0.718 1.00 0.00 O ATOM 0 H GLY A 29 19.183 -0.967 -1.800 1.00 0.00 H new ATOM 0 HA2 GLY A 29 20.558 -2.659 -0.252 1.00 0.00 H new ATOM 0 HA3 GLY A 29 21.665 -2.481 -1.599 1.00 0.00 H new ATOM 440 N SER A 30 21.697 0.234 -1.377 1.00 0.00 N ATOM 441 CA SER A 30 22.159 1.550 -0.966 1.00 0.00 C ATOM 442 C SER A 30 21.700 2.617 -1.959 1.00 0.00 C ATOM 443 O SER A 30 22.509 3.361 -2.519 1.00 0.00 O ATOM 444 CB SER A 30 23.684 1.548 -0.835 1.00 0.00 C ATOM 445 OG SER A 30 24.285 0.824 -1.898 1.00 0.00 O ATOM 0 H SER A 30 21.687 0.088 -2.386 1.00 0.00 H new ATOM 0 HA SER A 30 21.725 1.789 0.005 1.00 0.00 H new ATOM 0 HB2 SER A 30 24.054 2.573 -0.834 1.00 0.00 H new ATOM 0 HB3 SER A 30 23.970 1.105 0.119 1.00 0.00 H new ATOM 0 HG SER A 30 25.259 0.838 -1.794 1.00 0.00 H new ATOM 451 N SER A 31 20.394 2.677 -2.190 1.00 0.00 N ATOM 452 CA SER A 31 19.829 3.661 -3.101 1.00 0.00 C ATOM 453 C SER A 31 18.481 4.160 -2.593 1.00 0.00 C ATOM 454 O SER A 31 18.375 5.271 -2.077 1.00 0.00 O ATOM 455 CB SER A 31 19.667 3.067 -4.498 1.00 0.00 C ATOM 456 OG SER A 31 20.893 2.554 -4.987 1.00 0.00 O ATOM 0 H SER A 31 19.709 2.056 -1.759 1.00 0.00 H new ATOM 0 HA SER A 31 20.517 4.505 -3.152 1.00 0.00 H new ATOM 0 HB2 SER A 31 18.922 2.271 -4.473 1.00 0.00 H new ATOM 0 HB3 SER A 31 19.293 3.832 -5.179 1.00 0.00 H new ATOM 0 HG SER A 31 21.056 2.900 -5.889 1.00 0.00 H new ATOM 462 N THR A 32 17.455 3.326 -2.723 1.00 0.00 N ATOM 463 CA THR A 32 16.111 3.724 -2.347 1.00 0.00 C ATOM 464 C THR A 32 15.751 3.183 -0.969 1.00 0.00 C ATOM 465 O THR A 32 15.494 1.995 -0.804 1.00 0.00 O ATOM 466 CB THR A 32 15.084 3.230 -3.387 1.00 0.00 C ATOM 467 OG1 THR A 32 15.518 3.598 -4.706 1.00 0.00 O ATOM 468 CG2 THR A 32 13.707 3.824 -3.121 1.00 0.00 C ATOM 0 H THR A 32 17.531 2.375 -3.085 1.00 0.00 H new ATOM 0 HA THR A 32 16.083 4.813 -2.314 1.00 0.00 H new ATOM 0 HB THR A 32 15.013 2.145 -3.309 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.865 3.282 -5.365 1.00 0.00 H new ATOM 0 HG21 THR A 32 13.003 3.459 -3.869 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.368 3.527 -2.128 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.763 4.911 -3.175 1.00 0.00 H new ATOM 476 N VAL A 33 15.764 4.057 0.023 1.00 0.00 N ATOM 477 CA VAL A 33 15.377 3.687 1.375 1.00 0.00 C ATOM 478 C VAL A 33 14.032 4.323 1.704 1.00 0.00 C ATOM 479 O VAL A 33 13.936 5.548 1.826 1.00 0.00 O ATOM 480 CB VAL A 33 16.424 4.152 2.413 1.00 0.00 C ATOM 481 CG1 VAL A 33 16.133 3.548 3.780 1.00 0.00 C ATOM 482 CG2 VAL A 33 17.832 3.805 1.954 1.00 0.00 C ATOM 0 H VAL A 33 16.040 5.033 -0.083 1.00 0.00 H new ATOM 0 HA VAL A 33 15.309 2.600 1.422 1.00 0.00 H new ATOM 0 HB VAL A 33 16.357 5.236 2.501 1.00 0.00 H new ATOM 0 HG11 VAL A 33 16.882 3.888 4.495 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.144 3.862 4.113 1.00 0.00 H new ATOM 0 HG13 VAL A 33 16.165 2.461 3.712 1.00 0.00 H new ATOM 0 HG21 VAL A 33 18.551 4.142 2.700 1.00 0.00 H new ATOM 0 HG22 VAL A 33 17.918 2.726 1.828 1.00 0.00 H new ATOM 0 HG23 VAL A 33 18.037 4.298 1.004 1.00 0.00 H new ATOM 492 N LEU A 34 12.990 3.510 1.804 1.00 0.00 N ATOM 493 CA LEU A 34 11.673 4.016 2.159 1.00 0.00 C ATOM 494 C LEU A 34 11.519 4.048 3.667 1.00 0.00 C ATOM 495 O LEU A 34 12.058 3.200 4.375 1.00 0.00 O ATOM 496 CB LEU A 34 10.554 3.177 1.542 1.00 0.00 C ATOM 497 CG LEU A 34 10.397 3.306 0.027 1.00 0.00 C ATOM 498 CD1 LEU A 34 11.317 2.338 -0.703 1.00 0.00 C ATOM 499 CD2 LEU A 34 8.948 3.083 -0.363 1.00 0.00 C ATOM 0 H LEU A 34 13.031 2.503 1.645 1.00 0.00 H new ATOM 0 HA LEU A 34 11.590 5.026 1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.733 2.129 1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.612 3.456 2.013 1.00 0.00 H new ATOM 0 HG LEU A 34 10.685 4.315 -0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.184 2.451 -1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 34 12.353 2.552 -0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.073 1.316 -0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.844 3.176 -1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.637 2.085 -0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.320 3.827 0.128 1.00 0.00 H new ATOM 511 N LYS A 35 10.784 5.027 4.154 1.00 0.00 N ATOM 512 CA LYS A 35 10.640 5.226 5.584 1.00 0.00 C ATOM 513 C LYS A 35 9.230 4.910 6.051 1.00 0.00 C ATOM 514 O LYS A 35 8.299 4.820 5.250 1.00 0.00 O ATOM 515 CB LYS A 35 11.014 6.660 5.954 1.00 0.00 C ATOM 516 CG LYS A 35 12.510 6.928 5.894 1.00 0.00 C ATOM 517 CD LYS A 35 13.244 6.268 7.051 1.00 0.00 C ATOM 518 CE LYS A 35 12.786 6.826 8.390 1.00 0.00 C ATOM 519 NZ LYS A 35 13.441 6.136 9.532 1.00 0.00 N ATOM 0 H LYS A 35 10.275 5.699 3.580 1.00 0.00 H new ATOM 0 HA LYS A 35 11.318 4.538 6.089 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.502 7.347 5.280 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.654 6.873 6.960 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.909 6.557 4.950 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.689 8.003 5.915 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.073 5.192 7.026 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.317 6.423 6.939 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.009 7.892 8.434 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.704 6.722 8.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.625 6.821 10.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.817 5.384 9.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.340 5.720 9.216 1.00 0.00 H new ATOM 533 N ARG A 36 9.092 4.726 7.350 1.00 0.00 N ATOM 534 CA ARG A 36 7.798 4.503 7.967 1.00 0.00 C ATOM 535 C ARG A 36 6.881 5.694 7.723 1.00 0.00 C ATOM 536 O ARG A 36 7.298 6.846 7.850 1.00 0.00 O ATOM 537 CB ARG A 36 7.980 4.283 9.464 1.00 0.00 C ATOM 538 CG ARG A 36 6.731 3.789 10.172 1.00 0.00 C ATOM 539 CD ARG A 36 7.040 3.424 11.608 1.00 0.00 C ATOM 540 NE ARG A 36 5.868 2.930 12.327 1.00 0.00 N ATOM 541 CZ ARG A 36 5.804 2.826 13.651 1.00 0.00 C ATOM 542 NH1 ARG A 36 6.823 3.220 14.406 1.00 0.00 N ATOM 543 NH2 ARG A 36 4.710 2.347 14.221 1.00 0.00 N ATOM 0 H ARG A 36 9.872 4.727 8.007 1.00 0.00 H new ATOM 0 HA ARG A 36 7.341 3.618 7.524 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.783 3.562 9.620 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.299 5.219 9.922 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.962 4.561 10.145 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.330 2.921 9.649 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.820 2.663 11.626 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.436 4.299 12.124 1.00 0.00 H new ATOM 0 HE ARG A 36 5.053 2.649 11.782 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.661 3.605 13.971 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.767 3.137 15.421 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.919 2.059 13.645 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.658 2.266 15.236 1.00 0.00 H new ATOM 557 N GLY A 37 5.637 5.415 7.370 1.00 0.00 N ATOM 558 CA GLY A 37 4.694 6.478 7.090 1.00 0.00 C ATOM 559 C GLY A 37 4.564 6.775 5.609 1.00 0.00 C ATOM 560 O GLY A 37 3.800 7.658 5.218 1.00 0.00 O ATOM 0 H GLY A 37 5.262 4.471 7.272 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.717 6.204 7.488 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.008 7.382 7.611 1.00 0.00 H new ATOM 564 N THR A 38 5.318 6.054 4.782 1.00 0.00 N ATOM 565 CA THR A 38 5.201 6.201 3.336 1.00 0.00 C ATOM 566 C THR A 38 3.811 5.783 2.880 1.00 0.00 C ATOM 567 O THR A 38 3.392 4.645 3.094 1.00 0.00 O ATOM 568 CB THR A 38 6.266 5.375 2.585 1.00 0.00 C ATOM 569 OG1 THR A 38 7.577 5.798 2.979 1.00 0.00 O ATOM 570 CG2 THR A 38 6.118 5.529 1.077 1.00 0.00 C ATOM 0 H THR A 38 6.010 5.369 5.086 1.00 0.00 H new ATOM 0 HA THR A 38 5.366 7.252 3.099 1.00 0.00 H new ATOM 0 HB THR A 38 6.122 4.326 2.842 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.698 5.637 3.938 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.882 4.936 0.574 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.130 5.184 0.771 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.236 6.578 0.805 1.00 0.00 H new ATOM 578 N MET A 39 3.100 6.711 2.266 1.00 0.00 N ATOM 579 CA MET A 39 1.725 6.477 1.879 1.00 0.00 C ATOM 580 C MET A 39 1.650 5.975 0.445 1.00 0.00 C ATOM 581 O MET A 39 1.998 6.692 -0.496 1.00 0.00 O ATOM 582 CB MET A 39 0.904 7.759 2.021 1.00 0.00 C ATOM 583 CG MET A 39 -0.590 7.528 1.901 1.00 0.00 C ATOM 584 SD MET A 39 -1.196 6.391 3.163 1.00 0.00 S ATOM 585 CE MET A 39 -2.931 6.305 2.745 1.00 0.00 C ATOM 0 H MET A 39 3.455 7.636 2.025 1.00 0.00 H new ATOM 0 HA MET A 39 1.312 5.716 2.541 1.00 0.00 H new ATOM 0 HB2 MET A 39 1.118 8.215 2.988 1.00 0.00 H new ATOM 0 HB3 MET A 39 1.218 8.470 1.257 1.00 0.00 H new ATOM 0 HG2 MET A 39 -1.113 8.480 1.988 1.00 0.00 H new ATOM 0 HG3 MET A 39 -0.818 7.129 0.913 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.519 6.780 3.531 1.00 0.00 H new ATOM 0 HE2 MET A 39 -3.104 6.821 1.801 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.231 5.261 2.648 1.00 0.00 H new ATOM 595 N ILE A 40 1.203 4.741 0.284 1.00 0.00 N ATOM 596 CA ILE A 40 1.022 4.161 -1.035 1.00 0.00 C ATOM 597 C ILE A 40 -0.467 3.976 -1.308 1.00 0.00 C ATOM 598 O ILE A 40 -1.062 2.954 -0.963 1.00 0.00 O ATOM 599 CB ILE A 40 1.763 2.811 -1.181 1.00 0.00 C ATOM 600 CG1 ILE A 40 3.255 2.987 -0.878 1.00 0.00 C ATOM 601 CG2 ILE A 40 1.567 2.242 -2.581 1.00 0.00 C ATOM 602 CD1 ILE A 40 4.065 1.716 -1.030 1.00 0.00 C ATOM 0 H ILE A 40 0.958 4.119 1.055 1.00 0.00 H new ATOM 0 HA ILE A 40 1.451 4.846 -1.766 1.00 0.00 H new ATOM 0 HB ILE A 40 1.343 2.107 -0.463 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.664 3.748 -1.542 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.368 3.359 0.140 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.095 1.292 -2.665 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.504 2.083 -2.764 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.961 2.943 -3.317 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.110 1.921 -0.799 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.684 0.958 -0.346 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.984 1.354 -2.055 1.00 0.00 H new ATOM 614 N ARG A 41 -1.072 4.990 -1.895 1.00 0.00 N ATOM 615 CA ARG A 41 -2.503 4.981 -2.138 1.00 0.00 C ATOM 616 C ARG A 41 -2.795 4.763 -3.615 1.00 0.00 C ATOM 617 O ARG A 41 -2.132 5.333 -4.478 1.00 0.00 O ATOM 618 CB ARG A 41 -3.137 6.275 -1.610 1.00 0.00 C ATOM 619 CG ARG A 41 -2.441 7.557 -2.047 1.00 0.00 C ATOM 620 CD ARG A 41 -3.021 8.102 -3.339 1.00 0.00 C ATOM 621 NE ARG A 41 -4.453 8.368 -3.211 1.00 0.00 N ATOM 622 CZ ARG A 41 -5.107 9.312 -3.883 1.00 0.00 C ATOM 623 NH1 ARG A 41 -4.464 10.108 -4.728 1.00 0.00 N ATOM 624 NH2 ARG A 41 -6.412 9.462 -3.695 1.00 0.00 N ATOM 0 H ARG A 41 -0.594 5.833 -2.214 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.952 4.148 -1.596 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.176 6.313 -1.938 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.148 6.238 -0.521 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.535 8.307 -1.262 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.376 7.365 -2.179 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.502 9.020 -3.614 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.853 7.388 -4.145 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.987 7.790 -2.562 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.459 9.999 -4.867 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.974 10.829 -5.238 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.906 8.856 -3.040 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.921 10.183 -4.206 1.00 0.00 H new ATOM 638 N GLY A 42 -3.775 3.919 -3.895 1.00 0.00 N ATOM 639 CA GLY A 42 -4.083 3.565 -5.264 1.00 0.00 C ATOM 640 C GLY A 42 -3.456 2.242 -5.641 1.00 0.00 C ATOM 641 O GLY A 42 -2.834 2.115 -6.700 1.00 0.00 O ATOM 0 H GLY A 42 -4.366 3.471 -3.195 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.164 3.508 -5.393 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.722 4.345 -5.934 1.00 0.00 H new ATOM 645 N ILE A 43 -3.605 1.260 -4.759 1.00 0.00 N ATOM 646 CA ILE A 43 -3.037 -0.060 -4.974 1.00 0.00 C ATOM 647 C ILE A 43 -4.060 -0.975 -5.633 1.00 0.00 C ATOM 648 O ILE A 43 -5.240 -0.641 -5.717 1.00 0.00 O ATOM 649 CB ILE A 43 -2.543 -0.701 -3.649 1.00 0.00 C ATOM 650 CG1 ILE A 43 -3.707 -1.045 -2.711 1.00 0.00 C ATOM 651 CG2 ILE A 43 -1.576 0.229 -2.938 1.00 0.00 C ATOM 652 CD1 ILE A 43 -4.182 -2.480 -2.812 1.00 0.00 C ATOM 0 H ILE A 43 -4.119 1.357 -3.883 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.176 0.062 -5.631 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.034 -1.628 -3.911 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.402 -0.846 -1.684 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.543 -0.381 -2.929 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.239 -0.236 -2.011 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.717 0.421 -3.581 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.077 1.170 -2.711 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.006 -2.640 -2.117 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.521 -2.680 -3.828 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.362 -3.153 -2.563 1.00 0.00 H new ATOM 664 N ARG A 44 -3.603 -2.120 -6.100 1.00 0.00 N ATOM 665 CA ARG A 44 -4.488 -3.114 -6.685 1.00 0.00 C ATOM 666 C ARG A 44 -3.923 -4.512 -6.507 1.00 0.00 C ATOM 667 O ARG A 44 -2.716 -4.687 -6.324 1.00 0.00 O ATOM 668 CB ARG A 44 -4.730 -2.820 -8.162 1.00 0.00 C ATOM 669 CG ARG A 44 -3.463 -2.615 -8.967 1.00 0.00 C ATOM 670 CD ARG A 44 -3.790 -2.291 -10.411 1.00 0.00 C ATOM 671 NE ARG A 44 -4.658 -1.116 -10.522 1.00 0.00 N ATOM 672 CZ ARG A 44 -4.383 -0.051 -11.272 1.00 0.00 C ATOM 673 NH1 ARG A 44 -3.292 -0.028 -12.023 1.00 0.00 N ATOM 674 NH2 ARG A 44 -5.209 0.988 -11.281 1.00 0.00 N ATOM 0 H ARG A 44 -2.619 -2.388 -6.086 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.444 -3.063 -6.163 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.295 -3.644 -8.598 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.350 -1.928 -8.247 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.877 -1.806 -8.532 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.848 -3.514 -8.921 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.866 -2.114 -10.962 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.278 -3.148 -10.874 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.529 -1.114 -9.991 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.659 -0.828 -12.028 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.085 0.790 -12.596 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.056 0.971 -10.713 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.997 1.803 -11.856 1.00 0.00 H new ATOM 688 N LEU A 45 -4.804 -5.502 -6.548 1.00 0.00 N ATOM 689 CA LEU A 45 -4.399 -6.890 -6.414 1.00 0.00 C ATOM 690 C LEU A 45 -3.826 -7.371 -7.740 1.00 0.00 C ATOM 691 O LEU A 45 -4.459 -7.221 -8.787 1.00 0.00 O ATOM 692 CB LEU A 45 -5.587 -7.765 -5.997 1.00 0.00 C ATOM 693 CG LEU A 45 -6.425 -7.232 -4.828 1.00 0.00 C ATOM 694 CD1 LEU A 45 -7.475 -8.250 -4.414 1.00 0.00 C ATOM 695 CD2 LEU A 45 -5.548 -6.855 -3.646 1.00 0.00 C ATOM 0 H LEU A 45 -5.807 -5.366 -6.674 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.638 -6.968 -5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.240 -7.894 -6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.212 -8.753 -5.731 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.933 -6.329 -5.166 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.059 -7.853 -3.584 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.135 -8.455 -5.257 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.985 -9.173 -4.104 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.172 -6.481 -2.834 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.998 -7.733 -3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.843 -6.080 -3.948 1.00 0.00 H new ATOM 707 N THR A 46 -2.634 -7.933 -7.691 1.00 0.00 N ATOM 708 CA THR A 46 -1.912 -8.298 -8.899 1.00 0.00 C ATOM 709 C THR A 46 -2.362 -9.645 -9.443 1.00 0.00 C ATOM 710 O THR A 46 -3.009 -9.749 -10.488 1.00 0.00 O ATOM 711 CB THR A 46 -0.397 -8.349 -8.611 1.00 0.00 C ATOM 712 OG1 THR A 46 -0.149 -9.157 -7.447 1.00 0.00 O ATOM 713 CG2 THR A 46 0.162 -6.959 -8.376 1.00 0.00 C ATOM 0 H THR A 46 -2.141 -8.148 -6.824 1.00 0.00 H new ATOM 0 HA THR A 46 -2.128 -7.538 -9.650 1.00 0.00 H new ATOM 0 HB THR A 46 0.096 -8.783 -9.481 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.814 -9.188 -7.269 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.231 -7.026 -8.176 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.003 -6.346 -9.262 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.340 -6.505 -7.521 1.00 0.00 H new ATOM 721 N ASP A 47 -2.016 -10.645 -8.681 1.00 0.00 N ATOM 722 CA ASP A 47 -2.198 -12.048 -9.015 1.00 0.00 C ATOM 723 C ASP A 47 -1.731 -12.846 -7.817 1.00 0.00 C ATOM 724 O ASP A 47 -2.271 -13.899 -7.478 1.00 0.00 O ATOM 725 CB ASP A 47 -1.372 -12.424 -10.255 1.00 0.00 C ATOM 726 CG ASP A 47 -1.314 -13.919 -10.500 1.00 0.00 C ATOM 727 OD1 ASP A 47 -0.405 -14.587 -9.952 1.00 0.00 O ATOM 728 OD2 ASP A 47 -2.161 -14.435 -11.257 1.00 0.00 O ATOM 0 H ASP A 47 -1.580 -10.509 -7.769 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.243 -12.256 -9.246 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.799 -11.935 -11.131 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.358 -12.041 -10.139 1.00 0.00 H new ATOM 733 N SER A 48 -0.703 -12.298 -7.185 1.00 0.00 N ATOM 734 CA SER A 48 -0.183 -12.804 -5.939 1.00 0.00 C ATOM 735 C SER A 48 -1.112 -12.434 -4.787 1.00 0.00 C ATOM 736 O SER A 48 -1.750 -11.381 -4.805 1.00 0.00 O ATOM 737 CB SER A 48 1.201 -12.201 -5.721 1.00 0.00 C ATOM 738 OG SER A 48 2.051 -12.497 -6.820 1.00 0.00 O ATOM 0 H SER A 48 -0.205 -11.479 -7.534 1.00 0.00 H new ATOM 0 HA SER A 48 -0.115 -13.891 -5.976 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.118 -11.121 -5.598 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.635 -12.594 -4.802 1.00 0.00 H new ATOM 0 HG SER A 48 2.934 -12.102 -6.666 1.00 0.00 H new ATOM 744 N GLU A 49 -1.196 -13.308 -3.800 1.00 0.00 N ATOM 745 CA GLU A 49 -2.037 -13.076 -2.635 1.00 0.00 C ATOM 746 C GLU A 49 -1.241 -12.386 -1.545 1.00 0.00 C ATOM 747 O GLU A 49 -1.796 -11.805 -0.613 1.00 0.00 O ATOM 748 CB GLU A 49 -2.583 -14.398 -2.101 1.00 0.00 C ATOM 749 CG GLU A 49 -3.118 -15.313 -3.184 1.00 0.00 C ATOM 750 CD GLU A 49 -2.090 -16.311 -3.691 1.00 0.00 C ATOM 751 OE1 GLU A 49 -1.220 -15.928 -4.498 1.00 0.00 O ATOM 752 OE2 GLU A 49 -2.169 -17.493 -3.304 1.00 0.00 O ATOM 0 H GLU A 49 -0.688 -14.192 -3.781 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.869 -12.439 -2.935 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.792 -14.915 -1.557 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.379 -14.191 -1.386 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.981 -15.856 -2.798 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.470 -14.708 -4.020 1.00 0.00 H new ATOM 759 N ASP A 50 0.068 -12.481 -1.655 1.00 0.00 N ATOM 760 CA ASP A 50 0.962 -11.898 -0.668 1.00 0.00 C ATOM 761 C ASP A 50 1.582 -10.610 -1.196 1.00 0.00 C ATOM 762 O ASP A 50 2.303 -9.909 -0.483 1.00 0.00 O ATOM 763 CB ASP A 50 2.054 -12.904 -0.305 1.00 0.00 C ATOM 764 CG ASP A 50 2.784 -12.549 0.973 1.00 0.00 C ATOM 765 OD1 ASP A 50 2.152 -12.601 2.052 1.00 0.00 O ATOM 766 OD2 ASP A 50 3.997 -12.256 0.910 1.00 0.00 O ATOM 0 H ASP A 50 0.541 -12.959 -2.422 1.00 0.00 H new ATOM 0 HA ASP A 50 0.388 -11.655 0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.609 -13.893 -0.200 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.772 -12.963 -1.123 1.00 0.00 H new ATOM 771 N GLU A 51 1.278 -10.285 -2.445 1.00 0.00 N ATOM 772 CA GLU A 51 1.835 -9.105 -3.078 1.00 0.00 C ATOM 773 C GLU A 51 0.766 -8.299 -3.775 1.00 0.00 C ATOM 774 O GLU A 51 -0.183 -8.840 -4.340 1.00 0.00 O ATOM 775 CB GLU A 51 2.905 -9.481 -4.092 1.00 0.00 C ATOM 776 CG GLU A 51 4.250 -9.784 -3.464 1.00 0.00 C ATOM 777 CD GLU A 51 4.901 -11.025 -4.034 1.00 0.00 C ATOM 778 OE1 GLU A 51 5.147 -11.063 -5.258 1.00 0.00 O ATOM 779 OE2 GLU A 51 5.183 -11.966 -3.261 1.00 0.00 O ATOM 0 H GLU A 51 0.648 -10.825 -3.038 1.00 0.00 H new ATOM 0 HA GLU A 51 2.280 -8.502 -2.286 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.571 -10.352 -4.655 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.021 -8.665 -4.806 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.914 -8.932 -3.611 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.123 -9.908 -2.389 1.00 0.00 H new ATOM 786 N ILE A 52 0.953 -7.003 -3.745 1.00 0.00 N ATOM 787 CA ILE A 52 0.070 -6.080 -4.427 1.00 0.00 C ATOM 788 C ILE A 52 0.892 -5.092 -5.223 1.00 0.00 C ATOM 789 O ILE A 52 2.110 -5.079 -5.126 1.00 0.00 O ATOM 790 CB ILE A 52 -0.822 -5.279 -3.459 1.00 0.00 C ATOM 791 CG1 ILE A 52 0.034 -4.592 -2.391 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.869 -6.174 -2.819 1.00 0.00 C ATOM 793 CD1 ILE A 52 -0.623 -3.370 -1.793 1.00 0.00 C ATOM 0 H ILE A 52 1.722 -6.554 -3.247 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.574 -6.681 -5.069 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.344 -4.511 -4.030 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.251 -5.305 -1.596 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.989 -4.304 -2.831 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.486 -5.585 -2.140 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.498 -6.610 -3.595 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.376 -6.970 -2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.037 -2.932 -1.044 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.816 -2.639 -2.579 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.565 -3.656 -1.324 1.00 0.00 H new ATOM 805 N GLU A 53 0.233 -4.265 -5.999 1.00 0.00 N ATOM 806 CA GLU A 53 0.911 -3.223 -6.730 1.00 0.00 C ATOM 807 C GLU A 53 0.280 -1.890 -6.393 1.00 0.00 C ATOM 808 O GLU A 53 -0.940 -1.787 -6.318 1.00 0.00 O ATOM 809 CB GLU A 53 0.801 -3.484 -8.220 1.00 0.00 C ATOM 810 CG GLU A 53 1.583 -2.500 -9.076 1.00 0.00 C ATOM 811 CD GLU A 53 1.161 -2.521 -10.528 1.00 0.00 C ATOM 812 OE1 GLU A 53 1.595 -3.428 -11.268 1.00 0.00 O ATOM 813 OE2 GLU A 53 0.388 -1.629 -10.936 1.00 0.00 O ATOM 0 H GLU A 53 -0.777 -4.294 -6.140 1.00 0.00 H new ATOM 0 HA GLU A 53 1.965 -3.208 -6.452 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.154 -4.494 -8.429 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.249 -3.447 -8.509 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.450 -1.494 -8.678 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.646 -2.731 -9.008 1.00 0.00 H new ATOM 820 N GLY A 54 1.096 -0.881 -6.181 1.00 0.00 N ATOM 821 CA GLY A 54 0.567 0.415 -5.840 1.00 0.00 C ATOM 822 C GLY A 54 1.351 1.536 -6.474 1.00 0.00 C ATOM 823 O GLY A 54 2.091 1.315 -7.431 1.00 0.00 O ATOM 0 H GLY A 54 2.113 -0.933 -6.238 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.473 0.476 -6.159 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.576 0.535 -4.757 1.00 0.00 H new ATOM 827 N ARG A 55 1.206 2.733 -5.941 1.00 0.00 N ATOM 828 CA ARG A 55 1.848 3.900 -6.515 1.00 0.00 C ATOM 829 C ARG A 55 2.160 4.925 -5.436 1.00 0.00 C ATOM 830 O ARG A 55 1.454 5.021 -4.431 1.00 0.00 O ATOM 831 CB ARG A 55 0.944 4.511 -7.581 1.00 0.00 C ATOM 832 CG ARG A 55 -0.392 4.989 -7.044 1.00 0.00 C ATOM 833 CD ARG A 55 -1.413 5.114 -8.154 1.00 0.00 C ATOM 834 NE ARG A 55 -1.734 3.811 -8.733 1.00 0.00 N ATOM 835 CZ ARG A 55 -1.386 3.436 -9.964 1.00 0.00 C ATOM 836 NH1 ARG A 55 -0.729 4.274 -10.754 1.00 0.00 N ATOM 837 NH2 ARG A 55 -1.697 2.224 -10.398 1.00 0.00 N ATOM 0 H ARG A 55 0.648 2.924 -5.109 1.00 0.00 H new ATOM 0 HA ARG A 55 2.788 3.594 -6.975 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.461 5.351 -8.046 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.768 3.772 -8.363 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.755 4.291 -6.289 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.266 5.953 -6.552 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.321 5.575 -7.765 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.029 5.774 -8.931 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.256 3.148 -8.160 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -0.489 5.207 -10.420 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.464 3.985 -11.696 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.202 1.579 -9.791 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.431 1.936 -11.340 1.00 0.00 H new ATOM 851 N THR A 56 3.228 5.665 -5.646 1.00 0.00 N ATOM 852 CA THR A 56 3.638 6.710 -4.729 1.00 0.00 C ATOM 853 C THR A 56 3.705 8.033 -5.483 1.00 0.00 C ATOM 854 O THR A 56 3.296 8.111 -6.644 1.00 0.00 O ATOM 855 CB THR A 56 5.032 6.417 -4.121 1.00 0.00 C ATOM 856 OG1 THR A 56 6.032 6.511 -5.135 1.00 0.00 O ATOM 857 CG2 THR A 56 5.101 5.028 -3.508 1.00 0.00 C ATOM 0 H THR A 56 3.837 5.560 -6.457 1.00 0.00 H new ATOM 0 HA THR A 56 2.910 6.756 -3.919 1.00 0.00 H new ATOM 0 HB THR A 56 5.204 7.155 -3.337 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.873 5.825 -5.816 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.095 4.862 -3.093 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.358 4.943 -2.715 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.900 4.281 -4.276 1.00 0.00 H new ATOM 865 N ASP A 57 4.224 9.058 -4.824 1.00 0.00 N ATOM 866 CA ASP A 57 4.497 10.340 -5.471 1.00 0.00 C ATOM 867 C ASP A 57 5.491 10.169 -6.624 1.00 0.00 C ATOM 868 O ASP A 57 5.434 10.884 -7.627 1.00 0.00 O ATOM 869 CB ASP A 57 5.057 11.325 -4.440 1.00 0.00 C ATOM 870 CG ASP A 57 5.535 12.626 -5.053 1.00 0.00 C ATOM 871 OD1 ASP A 57 4.689 13.488 -5.370 1.00 0.00 O ATOM 872 OD2 ASP A 57 6.765 12.802 -5.194 1.00 0.00 O ATOM 0 H ASP A 57 4.467 9.029 -3.834 1.00 0.00 H new ATOM 0 HA ASP A 57 3.565 10.729 -5.880 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.287 11.542 -3.699 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.886 10.855 -3.911 1.00 0.00 H new ATOM 877 N LYS A 58 6.383 9.196 -6.481 1.00 0.00 N ATOM 878 CA LYS A 58 7.435 8.968 -7.464 1.00 0.00 C ATOM 879 C LYS A 58 7.262 7.615 -8.149 1.00 0.00 C ATOM 880 O LYS A 58 6.927 7.540 -9.333 1.00 0.00 O ATOM 881 CB LYS A 58 8.804 9.038 -6.784 1.00 0.00 C ATOM 882 CG LYS A 58 9.134 10.413 -6.224 1.00 0.00 C ATOM 883 CD LYS A 58 10.414 10.395 -5.407 1.00 0.00 C ATOM 884 CE LYS A 58 10.721 11.769 -4.830 1.00 0.00 C ATOM 885 NZ LYS A 58 11.891 11.741 -3.914 1.00 0.00 N ATOM 0 H LYS A 58 6.399 8.551 -5.691 1.00 0.00 H new ATOM 0 HA LYS A 58 7.367 9.745 -8.225 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.837 8.308 -5.975 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.573 8.753 -7.502 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.235 11.125 -7.043 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.310 10.760 -5.601 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.321 9.671 -4.598 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.244 10.068 -6.034 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.914 12.468 -5.643 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.848 12.139 -4.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.065 12.697 -3.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.698 11.093 -3.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.730 11.413 -4.433 1.00 0.00 H new ATOM 899 N ILE A 59 7.495 6.552 -7.397 1.00 0.00 N ATOM 900 CA ILE A 59 7.369 5.198 -7.914 1.00 0.00 C ATOM 901 C ILE A 59 5.903 4.831 -8.059 1.00 0.00 C ATOM 902 O ILE A 59 5.230 4.557 -7.069 1.00 0.00 O ATOM 903 CB ILE A 59 8.022 4.140 -6.993 1.00 0.00 C ATOM 904 CG1 ILE A 59 9.310 4.661 -6.347 1.00 0.00 C ATOM 905 CG2 ILE A 59 8.306 2.871 -7.785 1.00 0.00 C ATOM 906 CD1 ILE A 59 9.120 5.245 -4.960 1.00 0.00 C ATOM 0 H ILE A 59 7.775 6.601 -6.417 1.00 0.00 H new ATOM 0 HA ILE A 59 7.883 5.192 -8.875 1.00 0.00 H new ATOM 0 HB ILE A 59 7.320 3.919 -6.189 1.00 0.00 H new ATOM 0 HG12 ILE A 59 10.030 3.845 -6.289 1.00 0.00 H new ATOM 0 HG13 ILE A 59 9.744 5.424 -6.993 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.766 2.130 -7.132 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.372 2.474 -8.184 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.984 3.100 -8.608 1.00 0.00 H new ATOM 0 HD11 ILE A 59 10.080 5.590 -4.576 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.427 6.084 -5.011 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.717 4.481 -4.296 1.00 0.00 H new ATOM 918 N LYS A 60 5.404 4.842 -9.276 1.00 0.00 N ATOM 919 CA LYS A 60 4.033 4.441 -9.525 1.00 0.00 C ATOM 920 C LYS A 60 4.002 3.129 -10.294 1.00 0.00 C ATOM 921 O LYS A 60 4.707 2.965 -11.292 1.00 0.00 O ATOM 922 CB LYS A 60 3.273 5.533 -10.284 1.00 0.00 C ATOM 923 CG LYS A 60 3.948 5.970 -11.572 1.00 0.00 C ATOM 924 CD LYS A 60 3.107 6.982 -12.331 1.00 0.00 C ATOM 925 CE LYS A 60 2.814 8.207 -11.480 1.00 0.00 C ATOM 926 NZ LYS A 60 1.946 9.177 -12.191 1.00 0.00 N ATOM 0 H LYS A 60 5.924 5.123 -10.107 1.00 0.00 H new ATOM 0 HA LYS A 60 3.537 4.294 -8.566 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.271 5.171 -10.515 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.157 6.400 -9.634 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.922 6.404 -11.344 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.127 5.099 -12.203 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.629 7.284 -13.239 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.170 6.520 -12.641 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.331 7.898 -10.553 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.751 8.691 -11.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.769 9.998 -11.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.418 9.491 -13.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.042 8.723 -12.431 1.00 0.00 H new ATOM 940 N GLY A 61 3.199 2.197 -9.815 1.00 0.00 N ATOM 941 CA GLY A 61 3.112 0.901 -10.448 1.00 0.00 C ATOM 942 C GLY A 61 4.222 -0.027 -10.000 1.00 0.00 C ATOM 943 O GLY A 61 4.890 -0.650 -10.826 1.00 0.00 O ATOM 0 H GLY A 61 2.603 2.315 -8.996 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.147 0.449 -10.217 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.156 1.023 -11.530 1.00 0.00 H new ATOM 947 N LEU A 62 4.436 -0.107 -8.694 1.00 0.00 N ATOM 948 CA LEU A 62 5.432 -1.013 -8.151 1.00 0.00 C ATOM 949 C LEU A 62 4.742 -2.118 -7.359 1.00 0.00 C ATOM 950 O LEU A 62 3.802 -1.859 -6.601 1.00 0.00 O ATOM 951 CB LEU A 62 6.456 -0.271 -7.270 1.00 0.00 C ATOM 952 CG LEU A 62 6.008 0.094 -5.848 1.00 0.00 C ATOM 953 CD1 LEU A 62 7.203 0.541 -5.020 1.00 0.00 C ATOM 954 CD2 LEU A 62 4.951 1.191 -5.860 1.00 0.00 C ATOM 0 H LEU A 62 3.935 0.442 -7.996 1.00 0.00 H new ATOM 0 HA LEU A 62 5.982 -1.454 -8.982 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.351 -0.888 -7.196 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.743 0.647 -7.782 1.00 0.00 H new ATOM 0 HG LEU A 62 5.568 -0.797 -5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.873 0.797 -4.013 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.932 -0.267 -4.968 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.662 1.414 -5.485 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.657 1.424 -4.837 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.359 2.084 -6.333 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.080 0.850 -6.419 1.00 0.00 H new ATOM 966 N VAL A 63 5.199 -3.346 -7.547 1.00 0.00 N ATOM 967 CA VAL A 63 4.602 -4.488 -6.880 1.00 0.00 C ATOM 968 C VAL A 63 5.362 -4.791 -5.602 1.00 0.00 C ATOM 969 O VAL A 63 6.559 -5.080 -5.630 1.00 0.00 O ATOM 970 CB VAL A 63 4.592 -5.746 -7.778 1.00 0.00 C ATOM 971 CG1 VAL A 63 3.852 -6.889 -7.094 1.00 0.00 C ATOM 972 CG2 VAL A 63 3.967 -5.439 -9.132 1.00 0.00 C ATOM 0 H VAL A 63 5.983 -3.576 -8.158 1.00 0.00 H new ATOM 0 HA VAL A 63 3.568 -4.229 -6.653 1.00 0.00 H new ATOM 0 HB VAL A 63 5.625 -6.054 -7.941 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.856 -7.765 -7.743 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.347 -7.131 -6.153 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.823 -6.589 -6.896 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.971 -6.339 -9.747 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.941 -5.100 -8.991 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.542 -4.657 -9.629 1.00 0.00 H new ATOM 982 N LEU A 64 4.665 -4.717 -4.487 1.00 0.00 N ATOM 983 CA LEU A 64 5.283 -4.940 -3.192 1.00 0.00 C ATOM 984 C LEU A 64 4.523 -5.966 -2.378 1.00 0.00 C ATOM 985 O LEU A 64 3.299 -6.078 -2.470 1.00 0.00 O ATOM 986 CB LEU A 64 5.388 -3.635 -2.407 1.00 0.00 C ATOM 987 CG LEU A 64 6.572 -2.756 -2.793 1.00 0.00 C ATOM 988 CD1 LEU A 64 6.415 -1.360 -2.212 1.00 0.00 C ATOM 989 CD2 LEU A 64 7.868 -3.398 -2.316 1.00 0.00 C ATOM 0 H LEU A 64 3.668 -4.504 -4.449 1.00 0.00 H new ATOM 0 HA LEU A 64 6.285 -5.326 -3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.469 -3.066 -2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.458 -3.870 -1.345 1.00 0.00 H new ATOM 0 HG LEU A 64 6.605 -2.665 -3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.270 -0.748 -2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.500 -0.907 -2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.362 -1.422 -1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.711 -2.766 -2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.841 -3.510 -1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.981 -4.378 -2.780 1.00 0.00 H new ATOM 1001 N ARG A 65 5.270 -6.727 -1.599 1.00 0.00 N ATOM 1002 CA ARG A 65 4.689 -7.643 -0.639 1.00 0.00 C ATOM 1003 C ARG A 65 3.949 -6.874 0.438 1.00 0.00 C ATOM 1004 O ARG A 65 4.455 -5.891 0.980 1.00 0.00 O ATOM 1005 CB ARG A 65 5.767 -8.513 -0.005 1.00 0.00 C ATOM 1006 CG ARG A 65 7.067 -7.779 0.258 1.00 0.00 C ATOM 1007 CD ARG A 65 8.011 -8.632 1.085 1.00 0.00 C ATOM 1008 NE ARG A 65 9.277 -7.965 1.364 1.00 0.00 N ATOM 1009 CZ ARG A 65 10.061 -8.263 2.398 1.00 0.00 C ATOM 1010 NH1 ARG A 65 9.684 -9.182 3.283 1.00 0.00 N ATOM 1011 NH2 ARG A 65 11.219 -7.634 2.548 1.00 0.00 N ATOM 0 H ARG A 65 6.290 -6.727 -1.615 1.00 0.00 H new ATOM 0 HA ARG A 65 3.985 -8.288 -1.165 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.390 -8.915 0.936 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.966 -9.363 -0.658 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.540 -7.518 -0.689 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.863 -6.844 0.780 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.528 -8.893 2.027 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.206 -9.566 0.558 1.00 0.00 H new ATOM 0 HE ARG A 65 9.580 -7.226 0.729 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.791 -9.662 3.171 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.288 -9.407 4.074 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.506 -6.925 1.873 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.823 -7.859 3.339 1.00 0.00 H new ATOM 1025 N THR A 66 2.768 -7.342 0.763 1.00 0.00 N ATOM 1026 CA THR A 66 1.906 -6.649 1.696 1.00 0.00 C ATOM 1027 C THR A 66 2.185 -7.108 3.135 1.00 0.00 C ATOM 1028 O THR A 66 1.299 -7.125 3.987 1.00 0.00 O ATOM 1029 CB THR A 66 0.426 -6.873 1.303 1.00 0.00 C ATOM 1030 OG1 THR A 66 -0.453 -6.167 2.186 1.00 0.00 O ATOM 1031 CG2 THR A 66 0.081 -8.356 1.297 1.00 0.00 C ATOM 0 H THR A 66 2.377 -8.208 0.392 1.00 0.00 H new ATOM 0 HA THR A 66 2.113 -5.580 1.652 1.00 0.00 H new ATOM 0 HB THR A 66 0.291 -6.482 0.295 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.205 -6.746 2.431 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.965 -8.485 1.018 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.715 -8.874 0.578 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.245 -8.772 2.291 1.00 0.00 H new ATOM 1039 N GLU A 67 3.445 -7.441 3.417 1.00 0.00 N ATOM 1040 CA GLU A 67 3.819 -7.889 4.751 1.00 0.00 C ATOM 1041 C GLU A 67 4.022 -6.689 5.646 1.00 0.00 C ATOM 1042 O GLU A 67 3.785 -6.728 6.853 1.00 0.00 O ATOM 1043 CB GLU A 67 5.114 -8.690 4.705 1.00 0.00 C ATOM 1044 CG GLU A 67 5.124 -9.761 3.641 1.00 0.00 C ATOM 1045 CD GLU A 67 6.242 -10.759 3.844 1.00 0.00 C ATOM 1046 OE1 GLU A 67 6.037 -11.749 4.578 1.00 0.00 O ATOM 1047 OE2 GLU A 67 7.334 -10.559 3.278 1.00 0.00 O ATOM 0 H GLU A 67 4.213 -7.409 2.746 1.00 0.00 H new ATOM 0 HA GLU A 67 3.021 -8.521 5.139 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.947 -8.009 4.531 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.279 -9.154 5.677 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.168 -10.284 3.645 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.228 -9.296 2.661 1.00 0.00 H new ATOM 1054 N PHE A 68 4.458 -5.619 5.023 1.00 0.00 N ATOM 1055 CA PHE A 68 4.854 -4.423 5.738 1.00 0.00 C ATOM 1056 C PHE A 68 3.947 -3.244 5.401 1.00 0.00 C ATOM 1057 O PHE A 68 4.300 -2.085 5.638 1.00 0.00 O ATOM 1058 CB PHE A 68 6.315 -4.108 5.415 1.00 0.00 C ATOM 1059 CG PHE A 68 6.609 -3.914 3.951 1.00 0.00 C ATOM 1060 CD1 PHE A 68 6.373 -2.698 3.330 1.00 0.00 C ATOM 1061 CD2 PHE A 68 7.137 -4.951 3.199 1.00 0.00 C ATOM 1062 CE1 PHE A 68 6.657 -2.520 1.991 1.00 0.00 C ATOM 1063 CE2 PHE A 68 7.420 -4.780 1.860 1.00 0.00 C ATOM 1064 CZ PHE A 68 7.180 -3.563 1.254 1.00 0.00 C ATOM 0 H PHE A 68 4.549 -5.551 4.009 1.00 0.00 H new ATOM 0 HA PHE A 68 4.753 -4.600 6.809 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.605 -3.205 5.952 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.939 -4.918 5.793 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.962 -1.879 3.901 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.329 -5.905 3.667 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.470 -1.566 1.521 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.829 -5.598 1.286 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.401 -3.427 0.206 1.00 0.00 H new ATOM 1074 N LEU A 69 2.770 -3.541 4.872 1.00 0.00 N ATOM 1075 CA LEU A 69 1.834 -2.497 4.497 1.00 0.00 C ATOM 1076 C LEU A 69 0.605 -2.549 5.381 1.00 0.00 C ATOM 1077 O LEU A 69 0.199 -3.613 5.847 1.00 0.00 O ATOM 1078 CB LEU A 69 1.431 -2.631 3.028 1.00 0.00 C ATOM 1079 CG LEU A 69 2.588 -2.604 2.029 1.00 0.00 C ATOM 1080 CD1 LEU A 69 2.093 -2.924 0.630 1.00 0.00 C ATOM 1081 CD2 LEU A 69 3.276 -1.250 2.050 1.00 0.00 C ATOM 0 H LEU A 69 2.443 -4.491 4.694 1.00 0.00 H new ATOM 0 HA LEU A 69 2.326 -1.534 4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.885 -3.566 2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.741 -1.824 2.782 1.00 0.00 H new ATOM 0 HG LEU A 69 3.311 -3.365 2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.931 -2.900 -0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.642 -3.916 0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.350 -2.186 0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.097 -1.248 1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.559 -0.473 1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.666 -1.056 3.049 1.00 0.00 H new ATOM 1093 N LYS A 70 0.037 -1.391 5.628 1.00 0.00 N ATOM 1094 CA LYS A 70 -1.158 -1.282 6.438 1.00 0.00 C ATOM 1095 C LYS A 70 -2.291 -0.712 5.606 1.00 0.00 C ATOM 1096 O LYS A 70 -2.109 0.297 4.931 1.00 0.00 O ATOM 1097 CB LYS A 70 -0.902 -0.374 7.641 1.00 0.00 C ATOM 1098 CG LYS A 70 -1.489 -0.909 8.938 1.00 0.00 C ATOM 1099 CD LYS A 70 -2.955 -1.274 8.766 1.00 0.00 C ATOM 1100 CE LYS A 70 -3.649 -1.577 10.084 1.00 0.00 C ATOM 1101 NZ LYS A 70 -5.090 -1.888 9.878 1.00 0.00 N ATOM 0 H LYS A 70 0.387 -0.500 5.275 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.431 -2.275 6.795 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.173 -0.242 7.765 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.323 0.611 7.439 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.928 -1.786 9.260 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.387 -0.160 9.723 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.472 -0.453 8.269 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.033 -2.143 8.112 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.159 -2.420 10.570 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.551 -0.723 10.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.532 -2.107 10.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.565 -1.067 9.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.181 -2.708 9.245 1.00 0.00 H new ATOM 1115 N LYS A 71 -3.448 -1.355 5.648 1.00 0.00 N ATOM 1116 CA LYS A 71 -4.621 -0.839 4.967 1.00 0.00 C ATOM 1117 C LYS A 71 -5.052 0.451 5.649 1.00 0.00 C ATOM 1118 O LYS A 71 -5.341 0.466 6.847 1.00 0.00 O ATOM 1119 CB LYS A 71 -5.748 -1.874 4.987 1.00 0.00 C ATOM 1120 CG LYS A 71 -6.846 -1.626 3.962 1.00 0.00 C ATOM 1121 CD LYS A 71 -7.866 -0.604 4.426 1.00 0.00 C ATOM 1122 CE LYS A 71 -9.057 -0.556 3.482 1.00 0.00 C ATOM 1123 NZ LYS A 71 -10.106 0.387 3.949 1.00 0.00 N ATOM 0 H LYS A 71 -3.598 -2.233 6.146 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.384 -0.633 3.923 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.321 -2.862 4.813 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.193 -1.890 5.982 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.396 -1.285 3.030 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.353 -2.566 3.746 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.204 -0.853 5.432 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.401 0.380 4.481 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.720 -0.259 2.489 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.484 -1.554 3.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.045 -0.013 3.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.004 0.540 4.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.004 1.294 3.451 1.00 0.00 H new ATOM 1137 N ALA A 72 -5.083 1.525 4.885 1.00 0.00 N ATOM 1138 CA ALA A 72 -5.315 2.844 5.448 1.00 0.00 C ATOM 1139 C ALA A 72 -6.800 3.113 5.631 1.00 0.00 C ATOM 1140 O ALA A 72 -7.610 2.815 4.751 1.00 0.00 O ATOM 1141 CB ALA A 72 -4.682 3.908 4.570 1.00 0.00 C ATOM 0 H ALA A 72 -4.951 1.512 3.874 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.849 2.879 6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.863 4.892 5.003 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.608 3.733 4.503 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.120 3.864 3.573 1.00 0.00 H new ATOM 1147 N GLY A 73 -7.151 3.658 6.786 1.00 0.00 N ATOM 1148 CA GLY A 73 -8.533 3.986 7.065 1.00 0.00 C ATOM 1149 C GLY A 73 -9.292 2.808 7.635 1.00 0.00 C ATOM 1150 O GLY A 73 -10.524 2.770 7.586 1.00 0.00 O ATOM 0 H GLY A 73 -6.499 3.880 7.539 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.573 4.818 7.768 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.018 4.320 6.148 1.00 0.00 H new ATOM 1154 N SER A 74 -8.559 1.839 8.162 1.00 0.00 N ATOM 1155 CA SER A 74 -9.151 0.634 8.724 1.00 0.00 C ATOM 1156 C SER A 74 -8.205 0.007 9.742 1.00 0.00 C ATOM 1157 O SER A 74 -8.673 -0.379 10.832 1.00 0.00 O ATOM 1158 CB SER A 74 -9.480 -0.365 7.612 1.00 0.00 C ATOM 1159 OG SER A 74 -10.360 0.217 6.662 1.00 0.00 O ATOM 1160 OXT SER A 74 -6.989 -0.072 9.454 1.00 0.00 O ATOM 0 H SER A 74 -7.541 1.865 8.212 1.00 0.00 H new ATOM 0 HA SER A 74 -10.077 0.903 9.231 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.562 -0.683 7.118 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.937 -1.257 8.040 1.00 0.00 H new ATOM 0 HG SER A 74 -11.115 -0.387 6.503 1.00 0.00 H new TER 1166 SER A 74