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 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 -16:sc= -2.27! USER MOD Single : A 9 ASN :FLIP amide:sc= -0.245 F(o=-1.5!,f=-0.24) USER MOD Single : A 18 ASN : amide:sc= -0.406 X(o=-0.41,f=-0.84) USER MOD Single : A 20 SER OG : rot 19:sc= -1.05! USER MOD Single : A 23 LYS NZ :NH3+ -150:sc= -0.226 (180deg=-1.51) USER MOD Single : A 26 LYS NZ :NH3+ -169:sc=-0.00423 (180deg=-0.123) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -13:sc= 0.866 USER MOD Single : A 31 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+ 154:sc= 0.881 (180deg=0.5) USER MOD Single : A 38 THR OG1 : rot 107:sc= 1.28 USER MOD Single : A 39 MET CE :methyl -159:sc= -0.0367 (180deg=-0.432) USER MOD Single : A 46 THR OG1 : rot -77:sc= 0.901 USER MOD Single : A 48 SER OG : rot -159:sc= 1.23 USER MOD Single : A 56 THR OG1 : rot -61:sc= 0.665 USER MOD Single : A 58 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0278) USER MOD Single : A 60 LYS NZ :NH3+ -176:sc= 1.8 (180deg=1.78) USER MOD Single : A 66 THR OG1 : rot -121:sc= 0.845 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -171:sc= 1.72 (180deg=1.42) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.543 -18.777 -5.416 1.00 0.00 N ATOM 2 CA MET A 1 -12.502 -17.855 -5.919 1.00 0.00 C ATOM 3 C MET A 1 -12.008 -16.956 -4.793 1.00 0.00 C ATOM 4 O MET A 1 -12.617 -15.929 -4.492 1.00 0.00 O ATOM 5 CB MET A 1 -13.056 -17.006 -7.068 1.00 0.00 C ATOM 6 CG MET A 1 -12.056 -16.007 -7.633 1.00 0.00 C ATOM 7 SD MET A 1 -10.554 -16.792 -8.252 1.00 0.00 S ATOM 8 CE MET A 1 -9.663 -15.368 -8.874 1.00 0.00 C ATOM 0 H1 MET A 1 -13.873 -19.385 -6.192 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.146 -19.368 -4.658 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.343 -18.227 -5.044 1.00 0.00 H new ATOM 0 HA MET A 1 -11.664 -18.444 -6.292 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.387 -17.667 -7.869 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.935 -16.466 -6.717 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.527 -15.447 -8.441 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.791 -15.288 -6.858 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.709 -15.690 -9.291 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.253 -14.881 -9.650 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.485 -14.666 -8.059 1.00 0.00 H new ATOM 20 N SER A 2 -10.921 -17.358 -4.153 1.00 0.00 N ATOM 21 CA SER A 2 -10.386 -16.609 -3.030 1.00 0.00 C ATOM 22 C SER A 2 -8.870 -16.471 -3.112 1.00 0.00 C ATOM 23 O SER A 2 -8.135 -17.387 -2.755 1.00 0.00 O ATOM 24 CB SER A 2 -10.770 -17.289 -1.715 1.00 0.00 C ATOM 25 OG SER A 2 -12.178 -17.417 -1.596 1.00 0.00 O ATOM 0 H SER A 2 -10.394 -18.198 -4.393 1.00 0.00 H new ATOM 0 HA SER A 2 -10.817 -15.609 -3.068 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.307 -18.274 -1.663 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.383 -16.710 -0.877 1.00 0.00 H new ATOM 0 HG SER A 2 -12.396 -17.856 -0.747 1.00 0.00 H new ATOM 31 N ILE A 3 -8.418 -15.331 -3.611 1.00 0.00 N ATOM 32 CA ILE A 3 -7.010 -14.962 -3.544 1.00 0.00 C ATOM 33 C ILE A 3 -6.876 -13.731 -2.664 1.00 0.00 C ATOM 34 O ILE A 3 -6.323 -12.707 -3.066 1.00 0.00 O ATOM 35 CB ILE A 3 -6.392 -14.696 -4.938 1.00 0.00 C ATOM 36 CG1 ILE A 3 -7.233 -13.686 -5.730 1.00 0.00 C ATOM 37 CG2 ILE A 3 -6.245 -16.004 -5.701 1.00 0.00 C ATOM 38 CD1 ILE A 3 -6.664 -13.351 -7.093 1.00 0.00 C ATOM 0 H ILE A 3 -9.010 -14.639 -4.071 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.458 -15.802 -3.121 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.402 -14.261 -4.802 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -8.240 -14.085 -5.855 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.324 -12.768 -5.149 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -5.809 -15.807 -6.681 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.595 -16.679 -5.144 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -7.225 -16.465 -5.826 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.314 -12.632 -7.592 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.669 -12.922 -6.976 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.599 -14.258 -7.693 1.00 0.00 H new ATOM 50 N GLU A 4 -7.428 -13.850 -1.462 1.00 0.00 N ATOM 51 CA GLU A 4 -7.518 -12.743 -0.520 1.00 0.00 C ATOM 52 C GLU A 4 -6.169 -12.107 -0.241 1.00 0.00 C ATOM 53 O GLU A 4 -5.226 -12.772 0.186 1.00 0.00 O ATOM 54 CB GLU A 4 -8.129 -13.213 0.792 1.00 0.00 C ATOM 55 CG GLU A 4 -9.618 -13.474 0.709 1.00 0.00 C ATOM 56 CD GLU A 4 -10.156 -14.110 1.972 1.00 0.00 C ATOM 57 OE1 GLU A 4 -9.936 -13.549 3.067 1.00 0.00 O ATOM 58 OE2 GLU A 4 -10.774 -15.189 1.883 1.00 0.00 O ATOM 0 H GLU A 4 -7.827 -14.721 -1.113 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.155 -11.989 -0.983 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.626 -14.126 1.111 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.943 -12.462 1.559 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.140 -12.535 0.526 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.825 -14.125 -0.140 1.00 0.00 H new ATOM 65 N VAL A 5 -6.102 -10.810 -0.474 1.00 0.00 N ATOM 66 CA VAL A 5 -4.907 -10.038 -0.191 1.00 0.00 C ATOM 67 C VAL A 5 -5.204 -9.064 0.938 1.00 0.00 C ATOM 68 O VAL A 5 -6.099 -8.228 0.817 1.00 0.00 O ATOM 69 CB VAL A 5 -4.426 -9.243 -1.421 1.00 0.00 C ATOM 70 CG1 VAL A 5 -2.989 -8.793 -1.228 1.00 0.00 C ATOM 71 CG2 VAL A 5 -4.564 -10.061 -2.693 1.00 0.00 C ATOM 0 H VAL A 5 -6.871 -10.264 -0.863 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.117 -10.735 0.089 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.059 -8.361 -1.523 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.662 -8.233 -2.104 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.922 -8.157 -0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.349 -9.665 -1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.217 -9.473 -3.543 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.965 -10.968 -2.609 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.610 -10.330 -2.841 1.00 0.00 H new ATOM 81 N ARG A 6 -4.484 -9.189 2.039 1.00 0.00 N ATOM 82 CA ARG A 6 -4.727 -8.337 3.196 1.00 0.00 C ATOM 83 C ARG A 6 -3.467 -7.569 3.578 1.00 0.00 C ATOM 84 O ARG A 6 -2.406 -7.778 2.996 1.00 0.00 O ATOM 85 CB ARG A 6 -5.213 -9.158 4.397 1.00 0.00 C ATOM 86 CG ARG A 6 -6.316 -10.150 4.077 1.00 0.00 C ATOM 87 CD ARG A 6 -5.766 -11.562 3.982 1.00 0.00 C ATOM 88 NE ARG A 6 -6.822 -12.567 3.879 1.00 0.00 N ATOM 89 CZ ARG A 6 -6.594 -13.879 3.895 1.00 0.00 C ATOM 90 NH1 ARG A 6 -5.354 -14.338 4.021 1.00 0.00 N ATOM 91 NH2 ARG A 6 -7.606 -14.731 3.786 1.00 0.00 N ATOM 0 H ARG A 6 -3.731 -9.866 2.159 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.507 -7.627 2.920 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.366 -9.699 4.818 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.569 -8.475 5.168 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.085 -10.106 4.849 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.793 -9.878 3.136 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.112 -11.636 3.113 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.155 -11.770 4.860 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.786 -12.246 3.790 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.575 -13.685 4.106 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.181 -15.343 4.033 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.559 -14.381 3.690 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.430 -15.736 3.798 1.00 0.00 H new ATOM 105 N ASP A 7 -3.592 -6.683 4.559 1.00 0.00 N ATOM 106 CA ASP A 7 -2.465 -5.884 5.028 1.00 0.00 C ATOM 107 C ASP A 7 -1.680 -6.656 6.088 1.00 0.00 C ATOM 108 O ASP A 7 -1.851 -7.867 6.239 1.00 0.00 O ATOM 109 CB ASP A 7 -2.967 -4.555 5.613 1.00 0.00 C ATOM 110 CG ASP A 7 -3.506 -4.695 7.025 1.00 0.00 C ATOM 111 OD1 ASP A 7 -4.453 -5.475 7.237 1.00 0.00 O ATOM 112 OD2 ASP A 7 -2.951 -4.052 7.941 1.00 0.00 O ATOM 0 H ASP A 7 -4.468 -6.499 5.048 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.808 -5.673 4.184 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.151 -3.832 5.611 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.750 -4.153 4.969 1.00 0.00 H new ATOM 117 N CYS A 8 -0.836 -5.947 6.829 1.00 0.00 N ATOM 118 CA CYS A 8 -0.043 -6.552 7.894 1.00 0.00 C ATOM 119 C CYS A 8 -0.932 -7.108 9.011 1.00 0.00 C ATOM 120 O CYS A 8 -0.504 -7.953 9.796 1.00 0.00 O ATOM 121 CB CYS A 8 0.910 -5.510 8.474 1.00 0.00 C ATOM 122 SG CYS A 8 0.071 -4.045 9.127 1.00 0.00 S ATOM 0 H CYS A 8 -0.682 -4.946 6.711 1.00 0.00 H new ATOM 0 HA CYS A 8 0.521 -7.381 7.466 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.495 -5.969 9.271 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.612 -5.201 7.700 1.00 0.00 H new ATOM 0 HG CYS A 8 -1.147 -4.005 8.675 1.00 0.00 H new ATOM 128 N ASN A 9 -2.164 -6.621 9.083 1.00 0.00 N ATOM 129 CA ASN A 9 -3.089 -7.028 10.132 1.00 0.00 C ATOM 130 C ASN A 9 -3.999 -8.147 9.652 1.00 0.00 C ATOM 131 O ASN A 9 -4.158 -9.168 10.325 1.00 0.00 O ATOM 132 CB ASN A 9 -3.946 -5.841 10.564 1.00 0.00 C ATOM 133 CG ASN A 9 -4.114 -5.767 12.069 1.00 0.00 C ATOM 134 OD1 ASN A 9 -3.081 -6.149 12.802 1.00 0.00 O flip ATOM 135 ND2 ASN A 9 -5.156 -5.347 12.569 1.00 0.00 N flip ATOM 0 H ASN A 9 -2.546 -5.942 8.425 1.00 0.00 H new ATOM 0 HA ASN A 9 -2.500 -7.388 10.976 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -3.490 -4.918 10.206 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -4.927 -5.915 10.095 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -5.931 -5.062 11.970 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -5.246 -5.284 13.583 1.00 0.00 H new ATOM 142 N GLY A 10 -4.594 -7.948 8.487 1.00 0.00 N ATOM 143 CA GLY A 10 -5.544 -8.909 7.965 1.00 0.00 C ATOM 144 C GLY A 10 -6.741 -8.246 7.310 1.00 0.00 C ATOM 145 O GLY A 10 -7.730 -8.909 6.995 1.00 0.00 O ATOM 0 H GLY A 10 -4.436 -7.135 7.891 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.045 -9.550 7.238 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.887 -9.552 8.775 1.00 0.00 H new ATOM 149 N ALA A 11 -6.654 -6.939 7.104 1.00 0.00 N ATOM 150 CA ALA A 11 -7.704 -6.198 6.429 1.00 0.00 C ATOM 151 C ALA A 11 -7.546 -6.348 4.925 1.00 0.00 C ATOM 152 O ALA A 11 -6.456 -6.159 4.389 1.00 0.00 O ATOM 153 CB ALA A 11 -7.657 -4.734 6.828 1.00 0.00 C ATOM 0 H ALA A 11 -5.861 -6.369 7.398 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.673 -6.599 6.725 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.450 -4.191 6.314 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.796 -4.646 7.905 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.691 -4.312 6.551 1.00 0.00 H new ATOM 159 N LEU A 12 -8.630 -6.691 4.252 1.00 0.00 N ATOM 160 CA LEU A 12 -8.580 -7.009 2.832 1.00 0.00 C ATOM 161 C LEU A 12 -8.367 -5.771 1.970 1.00 0.00 C ATOM 162 O LEU A 12 -8.862 -4.683 2.275 1.00 0.00 O ATOM 163 CB LEU A 12 -9.853 -7.744 2.422 1.00 0.00 C ATOM 164 CG LEU A 12 -9.869 -9.230 2.780 1.00 0.00 C ATOM 165 CD1 LEU A 12 -11.285 -9.777 2.740 1.00 0.00 C ATOM 166 CD2 LEU A 12 -8.986 -10.001 1.816 1.00 0.00 C ATOM 0 H LEU A 12 -9.560 -6.757 4.666 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.720 -7.657 2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.706 -7.259 2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.986 -7.641 1.345 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.484 -9.348 3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.273 -10.836 2.998 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.904 -9.236 3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.695 -9.652 1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.001 -11.059 2.076 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.357 -9.872 0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.964 -9.626 1.879 1.00 0.00 H new ATOM 178 N LEU A 13 -7.606 -5.951 0.901 1.00 0.00 N ATOM 179 CA LEU A 13 -7.310 -4.882 -0.038 1.00 0.00 C ATOM 180 C LEU A 13 -7.985 -5.149 -1.375 1.00 0.00 C ATOM 181 O LEU A 13 -8.440 -6.266 -1.637 1.00 0.00 O ATOM 182 CB LEU A 13 -5.798 -4.768 -0.240 1.00 0.00 C ATOM 183 CG LEU A 13 -5.009 -4.331 0.990 1.00 0.00 C ATOM 184 CD1 LEU A 13 -3.517 -4.483 0.743 1.00 0.00 C ATOM 185 CD2 LEU A 13 -5.344 -2.891 1.345 1.00 0.00 C ATOM 0 H LEU A 13 -7.176 -6.844 0.661 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.692 -3.946 0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.418 -5.735 -0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.608 -4.058 -1.045 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.287 -4.970 1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.967 -4.167 1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.288 -5.527 0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.224 -3.864 -0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.774 -2.591 2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.088 -2.241 0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.410 -2.807 1.557 1.00 0.00 H new ATOM 197 N ALA A 14 -8.033 -4.125 -2.215 1.00 0.00 N ATOM 198 CA ALA A 14 -8.612 -4.236 -3.546 1.00 0.00 C ATOM 199 C ALA A 14 -8.057 -3.138 -4.447 1.00 0.00 C ATOM 200 O ALA A 14 -7.312 -2.277 -3.984 1.00 0.00 O ATOM 201 CB ALA A 14 -10.130 -4.153 -3.476 1.00 0.00 C ATOM 0 H ALA A 14 -7.673 -3.197 -1.994 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.343 -5.205 -3.967 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.546 -4.238 -4.480 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.511 -4.965 -2.856 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.422 -3.197 -3.042 1.00 0.00 H new ATOM 207 N ASP A 15 -8.404 -3.179 -5.727 1.00 0.00 N ATOM 208 CA ASP A 15 -7.977 -2.144 -6.670 1.00 0.00 C ATOM 209 C ASP A 15 -8.573 -0.795 -6.288 1.00 0.00 C ATOM 210 O ASP A 15 -9.793 -0.645 -6.207 1.00 0.00 O ATOM 211 CB ASP A 15 -8.391 -2.498 -8.103 1.00 0.00 C ATOM 212 CG ASP A 15 -7.876 -1.494 -9.123 1.00 0.00 C ATOM 213 OD1 ASP A 15 -8.439 -0.383 -9.224 1.00 0.00 O ATOM 214 OD2 ASP A 15 -6.910 -1.817 -9.842 1.00 0.00 O ATOM 0 H ASP A 15 -8.978 -3.914 -6.139 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.890 -2.084 -6.625 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.014 -3.490 -8.352 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.478 -2.546 -8.162 1.00 0.00 H new ATOM 219 N GLY A 16 -7.707 0.176 -6.049 1.00 0.00 N ATOM 220 CA GLY A 16 -8.151 1.501 -5.675 1.00 0.00 C ATOM 221 C GLY A 16 -8.020 1.744 -4.187 1.00 0.00 C ATOM 222 O GLY A 16 -8.375 2.812 -3.690 1.00 0.00 O ATOM 0 H GLY A 16 -6.694 0.068 -6.108 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.567 2.245 -6.217 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.191 1.633 -5.974 1.00 0.00 H new ATOM 226 N ASP A 17 -7.501 0.749 -3.478 1.00 0.00 N ATOM 227 CA ASP A 17 -7.354 0.832 -2.029 1.00 0.00 C ATOM 228 C ASP A 17 -6.095 1.606 -1.667 1.00 0.00 C ATOM 229 O ASP A 17 -5.304 1.964 -2.542 1.00 0.00 O ATOM 230 CB ASP A 17 -7.294 -0.566 -1.417 1.00 0.00 C ATOM 231 CG ASP A 17 -8.090 -0.665 -0.132 1.00 0.00 C ATOM 232 OD1 ASP A 17 -7.530 -0.406 0.950 1.00 0.00 O ATOM 233 OD2 ASP A 17 -9.289 -1.003 -0.197 1.00 0.00 O ATOM 0 H ASP A 17 -7.174 -0.128 -3.884 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.221 1.357 -1.628 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.676 -1.291 -2.135 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.255 -0.830 -1.220 1.00 0.00 H new ATOM 238 N ASN A 18 -5.902 1.862 -0.385 1.00 0.00 N ATOM 239 CA ASN A 18 -4.741 2.606 0.068 1.00 0.00 C ATOM 240 C ASN A 18 -4.065 1.927 1.243 1.00 0.00 C ATOM 241 O ASN A 18 -4.713 1.348 2.113 1.00 0.00 O ATOM 242 CB ASN A 18 -5.105 4.050 0.437 1.00 0.00 C ATOM 243 CG ASN A 18 -6.391 4.177 1.232 1.00 0.00 C ATOM 244 OD1 ASN A 18 -6.808 3.264 1.941 1.00 0.00 O ATOM 245 ND2 ASN A 18 -7.019 5.332 1.123 1.00 0.00 N ATOM 0 H ASN A 18 -6.533 1.566 0.359 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.040 2.629 -0.766 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.288 4.484 1.014 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.195 4.636 -0.477 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.884 5.493 1.638 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.639 6.064 0.523 1.00 0.00 H new ATOM 252 N VAL A 19 -2.747 1.998 1.250 1.00 0.00 N ATOM 253 CA VAL A 19 -1.945 1.429 2.318 1.00 0.00 C ATOM 254 C VAL A 19 -0.830 2.388 2.695 1.00 0.00 C ATOM 255 O VAL A 19 -0.668 3.436 2.071 1.00 0.00 O ATOM 256 CB VAL A 19 -1.328 0.063 1.932 1.00 0.00 C ATOM 257 CG1 VAL A 19 -2.411 -0.985 1.738 1.00 0.00 C ATOM 258 CG2 VAL A 19 -0.472 0.186 0.679 1.00 0.00 C ATOM 0 H VAL A 19 -2.202 2.451 0.516 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.612 1.267 3.165 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.686 -0.257 2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.953 -1.936 1.467 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.973 -1.104 2.665 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.086 -0.668 0.943 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.050 -0.788 0.429 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.087 0.538 -0.149 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.335 0.896 0.858 1.00 0.00 H new ATOM 268 N SER A 20 -0.080 2.050 3.726 1.00 0.00 N ATOM 269 CA SER A 20 1.054 2.857 4.141 1.00 0.00 C ATOM 270 C SER A 20 2.109 1.993 4.829 1.00 0.00 C ATOM 271 O SER A 20 1.790 0.962 5.417 1.00 0.00 O ATOM 272 CB SER A 20 0.586 3.990 5.058 1.00 0.00 C ATOM 273 OG SER A 20 -0.253 4.895 4.364 1.00 0.00 O ATOM 0 H SER A 20 -0.236 1.218 4.295 1.00 0.00 H new ATOM 0 HA SER A 20 1.512 3.299 3.256 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.050 3.574 5.911 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.451 4.522 5.454 1.00 0.00 H new ATOM 0 HG SER A 20 -0.601 4.464 3.556 1.00 0.00 H new ATOM 279 N LEU A 21 3.364 2.412 4.718 1.00 0.00 N ATOM 280 CA LEU A 21 4.496 1.683 5.293 1.00 0.00 C ATOM 281 C LEU A 21 4.392 1.588 6.815 1.00 0.00 C ATOM 282 O LEU A 21 4.218 2.603 7.495 1.00 0.00 O ATOM 283 CB LEU A 21 5.808 2.383 4.910 1.00 0.00 C ATOM 284 CG LEU A 21 6.422 1.983 3.561 1.00 0.00 C ATOM 285 CD1 LEU A 21 6.936 0.559 3.622 1.00 0.00 C ATOM 286 CD2 LEU A 21 5.419 2.132 2.428 1.00 0.00 C ATOM 0 H LEU A 21 3.629 3.266 4.228 1.00 0.00 H new ATOM 0 HA LEU A 21 4.481 0.670 4.891 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.632 3.459 4.901 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.542 2.187 5.692 1.00 0.00 H new ATOM 0 HG LEU A 21 7.256 2.656 3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.369 0.287 2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.698 0.480 4.398 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.112 -0.116 3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.887 1.841 1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.557 1.492 2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.093 3.170 2.365 1.00 0.00 H new ATOM 298 N ILE A 22 4.511 0.369 7.347 1.00 0.00 N ATOM 299 CA ILE A 22 4.447 0.155 8.796 1.00 0.00 C ATOM 300 C ILE A 22 5.833 0.262 9.421 1.00 0.00 C ATOM 301 O ILE A 22 5.982 0.288 10.642 1.00 0.00 O ATOM 302 CB ILE A 22 3.852 -1.225 9.160 1.00 0.00 C ATOM 303 CG1 ILE A 22 4.778 -2.355 8.698 1.00 0.00 C ATOM 304 CG2 ILE A 22 2.474 -1.384 8.546 1.00 0.00 C ATOM 305 CD1 ILE A 22 4.323 -3.735 9.128 1.00 0.00 C ATOM 0 H ILE A 22 4.651 -0.481 6.800 1.00 0.00 H new ATOM 0 HA ILE A 22 3.793 0.933 9.190 1.00 0.00 H new ATOM 0 HB ILE A 22 3.759 -1.283 10.244 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.852 -2.330 7.611 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.779 -2.175 9.090 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.068 -2.360 8.811 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.815 -0.602 8.924 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.547 -1.304 7.461 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.029 -4.481 8.763 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.277 -3.780 10.216 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.335 -3.938 8.714 1.00 0.00 H new ATOM 317 N LYS A 23 6.839 0.313 8.567 1.00 0.00 N ATOM 318 CA LYS A 23 8.228 0.384 8.989 1.00 0.00 C ATOM 319 C LYS A 23 9.063 0.924 7.839 1.00 0.00 C ATOM 320 O LYS A 23 8.540 1.128 6.743 1.00 0.00 O ATOM 321 CB LYS A 23 8.738 -1.004 9.402 1.00 0.00 C ATOM 322 CG LYS A 23 8.374 -2.090 8.403 1.00 0.00 C ATOM 323 CD LYS A 23 9.299 -3.297 8.475 1.00 0.00 C ATOM 324 CE LYS A 23 8.902 -4.283 9.563 1.00 0.00 C ATOM 325 NZ LYS A 23 9.034 -3.716 10.931 1.00 0.00 N ATOM 0 H LYS A 23 6.716 0.306 7.555 1.00 0.00 H new ATOM 0 HA LYS A 23 8.310 1.046 9.851 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.822 -0.969 9.514 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.325 -1.262 10.377 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.349 -2.413 8.583 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.405 -1.675 7.396 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.298 -3.807 7.512 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.319 -2.957 8.655 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.871 -4.598 9.403 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.523 -5.175 9.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.255 -4.478 11.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.799 -3.012 10.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.140 -3.261 11.206 1.00 0.00 H new ATOM 339 N ASP A 24 10.340 1.167 8.081 1.00 0.00 N ATOM 340 CA ASP A 24 11.231 1.625 7.017 1.00 0.00 C ATOM 341 C ASP A 24 11.772 0.426 6.239 1.00 0.00 C ATOM 342 O ASP A 24 12.445 -0.438 6.805 1.00 0.00 O ATOM 343 CB ASP A 24 12.410 2.447 7.564 1.00 0.00 C ATOM 344 CG ASP A 24 12.017 3.477 8.605 1.00 0.00 C ATOM 345 OD1 ASP A 24 10.925 4.064 8.500 1.00 0.00 O ATOM 346 OD2 ASP A 24 12.818 3.721 9.534 1.00 0.00 O ATOM 0 H ASP A 24 10.784 1.058 8.993 1.00 0.00 H new ATOM 0 HA ASP A 24 10.647 2.269 6.360 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.142 1.767 8.000 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.901 2.954 6.734 1.00 0.00 H new ATOM 351 N LEU A 25 11.470 0.372 4.949 1.00 0.00 N ATOM 352 CA LEU A 25 11.941 -0.712 4.090 1.00 0.00 C ATOM 353 C LEU A 25 12.942 -0.188 3.078 1.00 0.00 C ATOM 354 O LEU A 25 12.581 0.526 2.145 1.00 0.00 O ATOM 355 CB LEU A 25 10.786 -1.380 3.331 1.00 0.00 C ATOM 356 CG LEU A 25 9.937 -2.389 4.113 1.00 0.00 C ATOM 357 CD1 LEU A 25 10.791 -3.517 4.671 1.00 0.00 C ATOM 358 CD2 LEU A 25 9.179 -1.714 5.229 1.00 0.00 C ATOM 0 H LEU A 25 10.899 1.068 4.470 1.00 0.00 H new ATOM 0 HA LEU A 25 12.411 -1.451 4.740 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.126 -0.596 2.959 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.200 -1.888 2.460 1.00 0.00 H new ATOM 0 HG LEU A 25 9.218 -2.816 3.413 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.159 -4.215 5.220 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.283 -4.041 3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.544 -3.105 5.342 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.586 -2.454 5.766 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.884 -1.246 5.916 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.519 -0.953 4.812 1.00 0.00 H new ATOM 370 N LYS A 26 14.195 -0.538 3.258 1.00 0.00 N ATOM 371 CA LYS A 26 15.222 -0.134 2.316 1.00 0.00 C ATOM 372 C LYS A 26 15.446 -1.246 1.297 1.00 0.00 C ATOM 373 O LYS A 26 15.616 -2.413 1.658 1.00 0.00 O ATOM 374 CB LYS A 26 16.515 0.212 3.054 1.00 0.00 C ATOM 375 CG LYS A 26 17.572 0.888 2.192 1.00 0.00 C ATOM 376 CD LYS A 26 18.556 -0.113 1.616 1.00 0.00 C ATOM 377 CE LYS A 26 19.343 -0.807 2.713 1.00 0.00 C ATOM 378 NZ LYS A 26 20.255 0.131 3.423 1.00 0.00 N ATOM 0 H LYS A 26 14.530 -1.098 4.042 1.00 0.00 H new ATOM 0 HA LYS A 26 14.896 0.760 1.785 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.276 0.866 3.893 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.936 -0.702 3.472 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.087 1.429 1.380 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.110 1.625 2.788 1.00 0.00 H new ATOM 0 HD2 LYS A 26 18.019 -0.855 1.025 1.00 0.00 H new ATOM 0 HD3 LYS A 26 19.242 0.397 0.940 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.652 -1.252 3.429 1.00 0.00 H new ATOM 0 HE3 LYS A 26 19.925 -1.622 2.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 20.904 -0.409 4.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 20.804 0.675 2.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.695 0.784 4.008 1.00 0.00 H new ATOM 392 N LEU A 27 15.439 -0.868 0.031 1.00 0.00 N ATOM 393 CA LEU A 27 15.510 -1.817 -1.070 1.00 0.00 C ATOM 394 C LEU A 27 16.936 -2.320 -1.284 1.00 0.00 C ATOM 395 O LEU A 27 17.905 -1.614 -1.009 1.00 0.00 O ATOM 396 CB LEU A 27 14.967 -1.170 -2.349 1.00 0.00 C ATOM 397 CG LEU A 27 13.467 -0.868 -2.338 1.00 0.00 C ATOM 398 CD1 LEU A 27 13.025 -0.324 -3.688 1.00 0.00 C ATOM 399 CD2 LEU A 27 12.668 -2.113 -1.979 1.00 0.00 C ATOM 0 H LEU A 27 15.384 0.107 -0.265 1.00 0.00 H new ATOM 0 HA LEU A 27 14.895 -2.681 -0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 27 15.508 -0.240 -2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 27 15.183 -1.828 -3.190 1.00 0.00 H new ATOM 0 HG LEU A 27 13.277 -0.110 -1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.956 -0.114 -3.663 1.00 0.00 H new ATOM 0 HD12 LEU A 27 13.570 0.594 -3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 27 13.232 -1.062 -4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.604 -1.875 -1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.864 -2.895 -2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.963 -2.462 -0.990 1.00 0.00 H new ATOM 411 N LYS A 28 17.048 -3.541 -1.789 1.00 0.00 N ATOM 412 CA LYS A 28 18.341 -4.189 -1.976 1.00 0.00 C ATOM 413 C LYS A 28 18.949 -3.820 -3.322 1.00 0.00 C ATOM 414 O LYS A 28 20.117 -3.442 -3.404 1.00 0.00 O ATOM 415 CB LYS A 28 18.184 -5.710 -1.888 1.00 0.00 C ATOM 416 CG LYS A 28 19.470 -6.473 -2.161 1.00 0.00 C ATOM 417 CD LYS A 28 19.208 -7.955 -2.367 1.00 0.00 C ATOM 418 CE LYS A 28 20.490 -8.698 -2.701 1.00 0.00 C ATOM 419 NZ LYS A 28 20.238 -10.127 -3.018 1.00 0.00 N ATOM 0 H LYS A 28 16.251 -4.108 -2.079 1.00 0.00 H new ATOM 0 HA LYS A 28 19.008 -3.843 -1.186 1.00 0.00 H new ATOM 0 HB2 LYS A 28 17.820 -5.972 -0.894 1.00 0.00 H new ATOM 0 HB3 LYS A 28 17.424 -6.030 -2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 28 19.956 -6.063 -3.046 1.00 0.00 H new ATOM 0 HG3 LYS A 28 20.158 -6.337 -1.327 1.00 0.00 H new ATOM 0 HD2 LYS A 28 18.764 -8.377 -1.465 1.00 0.00 H new ATOM 0 HD3 LYS A 28 18.486 -8.091 -3.172 1.00 0.00 H new ATOM 0 HE2 LYS A 28 20.976 -8.218 -3.551 1.00 0.00 H new ATOM 0 HE3 LYS A 28 21.179 -8.629 -1.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 21.139 -10.597 -3.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 19.797 -10.592 -2.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 19.601 -10.194 -3.838 1.00 0.00 H new ATOM 433 N GLY A 29 18.141 -3.913 -4.374 1.00 0.00 N ATOM 434 CA GLY A 29 18.636 -3.694 -5.724 1.00 0.00 C ATOM 435 C GLY A 29 18.863 -2.229 -6.049 1.00 0.00 C ATOM 436 O GLY A 29 19.069 -1.869 -7.209 1.00 0.00 O ATOM 0 H GLY A 29 17.148 -4.137 -4.316 1.00 0.00 H new ATOM 0 HA2 GLY A 29 19.572 -4.237 -5.853 1.00 0.00 H new ATOM 0 HA3 GLY A 29 17.925 -4.111 -6.437 1.00 0.00 H new ATOM 440 N SER A 30 18.818 -1.385 -5.028 1.00 0.00 N ATOM 441 CA SER A 30 19.029 0.043 -5.186 1.00 0.00 C ATOM 442 C SER A 30 19.412 0.659 -3.844 1.00 0.00 C ATOM 443 O SER A 30 19.606 -0.055 -2.858 1.00 0.00 O ATOM 444 CB SER A 30 17.759 0.718 -5.726 1.00 0.00 C ATOM 445 OG SER A 30 17.396 0.200 -6.993 1.00 0.00 O ATOM 0 H SER A 30 18.634 -1.673 -4.067 1.00 0.00 H new ATOM 0 HA SER A 30 19.837 0.200 -5.900 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.940 0.570 -5.023 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.922 1.793 -5.804 1.00 0.00 H new ATOM 0 HG SER A 30 18.138 -0.328 -7.355 1.00 0.00 H new ATOM 451 N SER A 31 19.522 1.977 -3.806 1.00 0.00 N ATOM 452 CA SER A 31 19.757 2.690 -2.562 1.00 0.00 C ATOM 453 C SER A 31 18.458 3.345 -2.109 1.00 0.00 C ATOM 454 O SER A 31 18.449 4.295 -1.324 1.00 0.00 O ATOM 455 CB SER A 31 20.856 3.732 -2.762 1.00 0.00 C ATOM 456 OG SER A 31 22.043 3.119 -3.235 1.00 0.00 O ATOM 0 H SER A 31 19.452 2.577 -4.628 1.00 0.00 H new ATOM 0 HA SER A 31 20.087 1.995 -1.790 1.00 0.00 H new ATOM 0 HB2 SER A 31 20.523 4.488 -3.472 1.00 0.00 H new ATOM 0 HB3 SER A 31 21.055 4.244 -1.821 1.00 0.00 H new ATOM 0 HG SER A 31 22.736 3.801 -3.359 1.00 0.00 H new ATOM 462 N THR A 32 17.363 2.815 -2.626 1.00 0.00 N ATOM 463 CA THR A 32 16.033 3.299 -2.318 1.00 0.00 C ATOM 464 C THR A 32 15.637 2.934 -0.889 1.00 0.00 C ATOM 465 O THR A 32 15.329 1.779 -0.597 1.00 0.00 O ATOM 466 CB THR A 32 15.020 2.694 -3.306 1.00 0.00 C ATOM 467 OG1 THR A 32 15.464 2.919 -4.653 1.00 0.00 O ATOM 468 CG2 THR A 32 13.633 3.286 -3.118 1.00 0.00 C ATOM 0 H THR A 32 17.375 2.030 -3.277 1.00 0.00 H new ATOM 0 HA THR A 32 16.032 4.385 -2.409 1.00 0.00 H new ATOM 0 HB THR A 32 14.958 1.624 -3.110 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.818 2.531 -5.280 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.945 2.835 -3.833 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.286 3.086 -2.104 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.672 4.363 -3.282 1.00 0.00 H new ATOM 476 N VAL A 33 15.668 3.914 -0.001 1.00 0.00 N ATOM 477 CA VAL A 33 15.283 3.697 1.385 1.00 0.00 C ATOM 478 C VAL A 33 13.868 4.210 1.617 1.00 0.00 C ATOM 479 O VAL A 33 13.650 5.417 1.716 1.00 0.00 O ATOM 480 CB VAL A 33 16.229 4.421 2.369 1.00 0.00 C ATOM 481 CG1 VAL A 33 16.016 3.914 3.789 1.00 0.00 C ATOM 482 CG2 VAL A 33 17.684 4.266 1.952 1.00 0.00 C ATOM 0 H VAL A 33 15.956 4.869 -0.215 1.00 0.00 H new ATOM 0 HA VAL A 33 15.342 2.624 1.569 1.00 0.00 H new ATOM 0 HB VAL A 33 15.989 5.484 2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 33 16.691 4.436 4.467 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.985 4.099 4.090 1.00 0.00 H new ATOM 0 HG13 VAL A 33 16.219 2.844 3.828 1.00 0.00 H new ATOM 0 HG21 VAL A 33 18.324 4.787 2.664 1.00 0.00 H new ATOM 0 HG22 VAL A 33 17.947 3.208 1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 33 17.825 4.692 0.959 1.00 0.00 H new ATOM 492 N LEU A 34 12.905 3.304 1.679 1.00 0.00 N ATOM 493 CA LEU A 34 11.538 3.693 1.975 1.00 0.00 C ATOM 494 C LEU A 34 11.353 3.824 3.472 1.00 0.00 C ATOM 495 O LEU A 34 11.894 3.038 4.243 1.00 0.00 O ATOM 496 CB LEU A 34 10.524 2.695 1.416 1.00 0.00 C ATOM 497 CG LEU A 34 10.382 2.686 -0.104 1.00 0.00 C ATOM 498 CD1 LEU A 34 11.343 1.690 -0.738 1.00 0.00 C ATOM 499 CD2 LEU A 34 8.947 2.382 -0.489 1.00 0.00 C ATOM 0 H LEU A 34 13.043 2.304 1.530 1.00 0.00 H new ATOM 0 HA LEU A 34 11.358 4.654 1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.806 1.694 1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.549 2.910 1.854 1.00 0.00 H new ATOM 0 HG LEU A 34 10.641 3.675 -0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.220 1.705 -1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 34 12.368 1.962 -0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.130 0.689 -0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.855 2.378 -1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.664 1.405 -0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.289 3.145 -0.072 1.00 0.00 H new ATOM 511 N LYS A 35 10.598 4.821 3.879 1.00 0.00 N ATOM 512 CA LYS A 35 10.411 5.090 5.294 1.00 0.00 C ATOM 513 C LYS A 35 8.987 4.804 5.733 1.00 0.00 C ATOM 514 O LYS A 35 8.058 4.788 4.922 1.00 0.00 O ATOM 515 CB LYS A 35 10.777 6.536 5.615 1.00 0.00 C ATOM 516 CG LYS A 35 12.273 6.801 5.593 1.00 0.00 C ATOM 517 CD LYS A 35 12.963 6.245 6.827 1.00 0.00 C ATOM 518 CE LYS A 35 12.395 6.838 8.108 1.00 0.00 C ATOM 519 NZ LYS A 35 13.145 6.377 9.304 1.00 0.00 N ATOM 0 H LYS A 35 10.104 5.459 3.255 1.00 0.00 H new ATOM 0 HA LYS A 35 11.073 4.423 5.846 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.289 7.194 4.896 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.385 6.792 6.599 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.708 6.352 4.700 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.451 7.874 5.530 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.852 5.161 6.848 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.031 6.455 6.772 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.430 7.926 8.053 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.346 6.558 8.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.056 7.083 10.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.756 5.469 9.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.149 6.257 9.059 1.00 0.00 H new ATOM 533 N ARG A 36 8.839 4.577 7.024 1.00 0.00 N ATOM 534 CA ARG A 36 7.544 4.361 7.641 1.00 0.00 C ATOM 535 C ARG A 36 6.644 5.573 7.428 1.00 0.00 C ATOM 536 O ARG A 36 7.117 6.708 7.393 1.00 0.00 O ATOM 537 CB ARG A 36 7.731 4.114 9.136 1.00 0.00 C ATOM 538 CG ARG A 36 6.449 3.749 9.859 1.00 0.00 C ATOM 539 CD ARG A 36 6.688 3.522 11.338 1.00 0.00 C ATOM 540 NE ARG A 36 5.431 3.316 12.061 1.00 0.00 N ATOM 541 CZ ARG A 36 5.336 3.222 13.388 1.00 0.00 C ATOM 542 NH1 ARG A 36 6.424 3.305 14.147 1.00 0.00 N ATOM 543 NH2 ARG A 36 4.149 3.052 13.956 1.00 0.00 N ATOM 0 H ARG A 36 9.620 4.537 7.679 1.00 0.00 H new ATOM 0 HA ARG A 36 7.072 3.493 7.181 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.457 3.313 9.275 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.153 5.009 9.593 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.716 4.545 9.726 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.025 2.848 9.416 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.333 2.654 11.474 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.214 4.379 11.758 1.00 0.00 H new ATOM 0 HE ARG A 36 4.573 3.240 11.515 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.338 3.441 13.715 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.345 3.232 15.161 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.311 2.993 13.378 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.075 2.980 14.971 1.00 0.00 H new ATOM 557 N GLY A 37 5.352 5.329 7.270 1.00 0.00 N ATOM 558 CA GLY A 37 4.415 6.423 7.124 1.00 0.00 C ATOM 559 C GLY A 37 4.179 6.798 5.676 1.00 0.00 C ATOM 560 O GLY A 37 3.309 7.615 5.382 1.00 0.00 O ATOM 0 H GLY A 37 4.937 4.398 7.240 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.466 6.147 7.583 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.790 7.292 7.664 1.00 0.00 H new ATOM 564 N THR A 38 4.961 6.214 4.775 1.00 0.00 N ATOM 565 CA THR A 38 4.787 6.451 3.350 1.00 0.00 C ATOM 566 C THR A 38 3.444 5.907 2.884 1.00 0.00 C ATOM 567 O THR A 38 3.216 4.695 2.901 1.00 0.00 O ATOM 568 CB THR A 38 5.915 5.794 2.526 1.00 0.00 C ATOM 569 OG1 THR A 38 7.184 6.321 2.934 1.00 0.00 O ATOM 570 CG2 THR A 38 5.720 6.034 1.035 1.00 0.00 C ATOM 0 H THR A 38 5.720 5.574 5.007 1.00 0.00 H new ATOM 0 HA THR A 38 4.824 7.529 3.191 1.00 0.00 H new ATOM 0 HB THR A 38 5.885 4.720 2.708 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.669 5.644 3.451 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.530 5.559 0.481 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.767 5.609 0.720 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.723 7.106 0.835 1.00 0.00 H new ATOM 578 N MET A 39 2.552 6.804 2.494 1.00 0.00 N ATOM 579 CA MET A 39 1.239 6.409 2.024 1.00 0.00 C ATOM 580 C MET A 39 1.289 5.980 0.568 1.00 0.00 C ATOM 581 O MET A 39 1.627 6.763 -0.321 1.00 0.00 O ATOM 582 CB MET A 39 0.223 7.539 2.208 1.00 0.00 C ATOM 583 CG MET A 39 -1.093 7.290 1.483 1.00 0.00 C ATOM 584 SD MET A 39 -2.410 8.391 2.020 1.00 0.00 S ATOM 585 CE MET A 39 -2.738 7.727 3.650 1.00 0.00 C ATOM 0 H MET A 39 2.716 7.811 2.495 1.00 0.00 H new ATOM 0 HA MET A 39 0.918 5.558 2.625 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.025 7.670 3.272 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.658 8.471 1.847 1.00 0.00 H new ATOM 0 HG2 MET A 39 -0.940 7.412 0.411 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.401 6.257 1.646 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.737 8.024 3.970 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.676 6.639 3.619 1.00 0.00 H new ATOM 0 HE3 MET A 39 -2.001 8.113 4.355 1.00 0.00 H new ATOM 595 N ILE A 40 0.958 4.724 0.346 1.00 0.00 N ATOM 596 CA ILE A 40 0.844 4.183 -0.996 1.00 0.00 C ATOM 597 C ILE A 40 -0.625 3.935 -1.306 1.00 0.00 C ATOM 598 O ILE A 40 -1.208 2.946 -0.863 1.00 0.00 O ATOM 599 CB ILE A 40 1.638 2.866 -1.158 1.00 0.00 C ATOM 600 CG1 ILE A 40 3.105 3.070 -0.762 1.00 0.00 C ATOM 601 CG2 ILE A 40 1.539 2.360 -2.591 1.00 0.00 C ATOM 602 CD1 ILE A 40 3.954 1.825 -0.914 1.00 0.00 C ATOM 0 H ILE A 40 0.761 4.051 1.087 1.00 0.00 H new ATOM 0 HA ILE A 40 1.266 4.908 -1.692 1.00 0.00 H new ATOM 0 HB ILE A 40 1.204 2.118 -0.495 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.530 3.866 -1.373 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.149 3.405 0.274 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.103 1.432 -2.689 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.494 2.177 -2.841 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.949 3.108 -3.270 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.979 2.045 -0.616 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.554 1.032 -0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.941 1.500 -1.954 1.00 0.00 H new ATOM 614 N ARG A 41 -1.235 4.849 -2.035 1.00 0.00 N ATOM 615 CA ARG A 41 -2.659 4.757 -2.324 1.00 0.00 C ATOM 616 C ARG A 41 -2.902 4.459 -3.798 1.00 0.00 C ATOM 617 O ARG A 41 -2.049 4.723 -4.646 1.00 0.00 O ATOM 618 CB ARG A 41 -3.382 6.036 -1.875 1.00 0.00 C ATOM 619 CG ARG A 41 -2.600 7.322 -2.112 1.00 0.00 C ATOM 620 CD ARG A 41 -2.503 7.676 -3.587 1.00 0.00 C ATOM 621 NE ARG A 41 -1.620 8.817 -3.811 1.00 0.00 N ATOM 622 CZ ARG A 41 -1.830 9.751 -4.733 1.00 0.00 C ATOM 623 NH1 ARG A 41 -2.875 9.657 -5.545 1.00 0.00 N ATOM 624 NH2 ARG A 41 -0.988 10.770 -4.849 1.00 0.00 N ATOM 0 H ARG A 41 -0.771 5.663 -2.439 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.073 3.924 -1.756 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.334 6.103 -2.401 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.610 5.955 -0.812 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.080 8.140 -1.575 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.597 7.215 -1.700 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.134 6.815 -4.144 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.497 7.903 -3.973 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.791 8.903 -3.224 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.517 8.868 -5.461 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.037 10.373 -6.253 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.180 10.837 -4.231 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.149 11.487 -5.557 1.00 0.00 H new ATOM 638 N GLY A 42 -4.062 3.890 -4.089 1.00 0.00 N ATOM 639 CA GLY A 42 -4.384 3.504 -5.445 1.00 0.00 C ATOM 640 C GLY A 42 -3.804 2.149 -5.788 1.00 0.00 C ATOM 641 O GLY A 42 -3.509 1.867 -6.947 1.00 0.00 O ATOM 0 H GLY A 42 -4.790 3.688 -3.404 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.467 3.480 -5.570 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.999 4.252 -6.138 1.00 0.00 H new ATOM 645 N ILE A 43 -3.648 1.306 -4.772 1.00 0.00 N ATOM 646 CA ILE A 43 -3.043 -0.005 -4.950 1.00 0.00 C ATOM 647 C ILE A 43 -4.050 -0.978 -5.541 1.00 0.00 C ATOM 648 O ILE A 43 -5.252 -0.736 -5.501 1.00 0.00 O ATOM 649 CB ILE A 43 -2.479 -0.568 -3.618 1.00 0.00 C ATOM 650 CG1 ILE A 43 -3.591 -0.872 -2.600 1.00 0.00 C ATOM 651 CG2 ILE A 43 -1.492 0.416 -3.021 1.00 0.00 C ATOM 652 CD1 ILE A 43 -4.126 -2.289 -2.668 1.00 0.00 C ATOM 0 H ILE A 43 -3.934 1.511 -3.815 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.208 0.114 -5.641 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.976 -1.508 -3.846 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.209 -0.688 -1.596 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.415 -0.177 -2.760 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.099 0.016 -2.086 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.671 0.577 -3.720 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.995 1.363 -2.827 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.906 -2.420 -1.918 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.541 -2.474 -3.659 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.316 -2.993 -2.476 1.00 0.00 H new ATOM 664 N ARG A 44 -3.558 -2.066 -6.092 1.00 0.00 N ATOM 665 CA ARG A 44 -4.417 -3.089 -6.657 1.00 0.00 C ATOM 666 C ARG A 44 -3.881 -4.475 -6.354 1.00 0.00 C ATOM 667 O ARG A 44 -2.730 -4.633 -5.944 1.00 0.00 O ATOM 668 CB ARG A 44 -4.548 -2.908 -8.164 1.00 0.00 C ATOM 669 CG ARG A 44 -3.230 -2.641 -8.857 1.00 0.00 C ATOM 670 CD ARG A 44 -3.321 -2.941 -10.339 1.00 0.00 C ATOM 671 NE ARG A 44 -4.468 -2.288 -10.972 1.00 0.00 N ATOM 672 CZ ARG A 44 -4.681 -2.277 -12.284 1.00 0.00 C ATOM 673 NH1 ARG A 44 -3.803 -2.843 -13.102 1.00 0.00 N ATOM 674 NH2 ARG A 44 -5.767 -1.694 -12.773 1.00 0.00 N ATOM 0 H ARG A 44 -2.561 -2.268 -6.162 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.401 -2.986 -6.199 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.999 -3.803 -8.592 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.229 -2.081 -8.365 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.943 -1.600 -8.711 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.448 -3.253 -8.407 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.404 -2.614 -10.830 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.394 -4.019 -10.485 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.143 -1.814 -10.372 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.966 -3.286 -12.724 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.965 -2.835 -14.109 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.438 -1.255 -12.143 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.932 -1.685 -13.780 1.00 0.00 H new ATOM 688 N LEU A 45 -4.720 -5.474 -6.570 1.00 0.00 N ATOM 689 CA LEU A 45 -4.356 -6.853 -6.305 1.00 0.00 C ATOM 690 C LEU A 45 -3.697 -7.462 -7.534 1.00 0.00 C ATOM 691 O LEU A 45 -4.144 -7.240 -8.660 1.00 0.00 O ATOM 692 CB LEU A 45 -5.598 -7.663 -5.930 1.00 0.00 C ATOM 693 CG LEU A 45 -6.475 -7.044 -4.844 1.00 0.00 C ATOM 694 CD1 LEU A 45 -7.658 -7.946 -4.537 1.00 0.00 C ATOM 695 CD2 LEU A 45 -5.670 -6.763 -3.588 1.00 0.00 C ATOM 0 H LEU A 45 -5.666 -5.352 -6.932 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.652 -6.876 -5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.203 -7.806 -6.825 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.281 -8.652 -5.599 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.856 -6.093 -5.216 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.272 -7.489 -3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.255 -8.083 -5.439 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.297 -8.914 -4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.319 -6.323 -2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.250 -7.695 -3.209 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.862 -6.070 -3.821 1.00 0.00 H new ATOM 707 N THR A 46 -2.638 -8.220 -7.317 1.00 0.00 N ATOM 708 CA THR A 46 -1.940 -8.875 -8.410 1.00 0.00 C ATOM 709 C THR A 46 -2.458 -10.303 -8.569 1.00 0.00 C ATOM 710 O THR A 46 -3.564 -10.620 -8.125 1.00 0.00 O ATOM 711 CB THR A 46 -0.417 -8.902 -8.158 1.00 0.00 C ATOM 712 OG1 THR A 46 -0.127 -9.610 -6.944 1.00 0.00 O ATOM 713 CG2 THR A 46 0.144 -7.491 -8.073 1.00 0.00 C ATOM 0 H THR A 46 -2.242 -8.398 -6.394 1.00 0.00 H new ATOM 0 HA THR A 46 -2.128 -8.310 -9.323 1.00 0.00 H new ATOM 0 HB THR A 46 0.054 -9.415 -8.996 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.332 -9.038 -6.175 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.218 -7.537 -7.895 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.047 -6.967 -9.009 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.337 -6.957 -7.254 1.00 0.00 H new ATOM 721 N ASP A 47 -1.674 -11.153 -9.215 1.00 0.00 N ATOM 722 CA ASP A 47 -1.991 -12.574 -9.280 1.00 0.00 C ATOM 723 C ASP A 47 -1.524 -13.257 -8.001 1.00 0.00 C ATOM 724 O ASP A 47 -1.764 -14.446 -7.784 1.00 0.00 O ATOM 725 CB ASP A 47 -1.334 -13.229 -10.499 1.00 0.00 C ATOM 726 CG ASP A 47 -1.908 -12.734 -11.811 1.00 0.00 C ATOM 727 OD1 ASP A 47 -2.997 -13.202 -12.207 1.00 0.00 O ATOM 728 OD2 ASP A 47 -1.267 -11.887 -12.468 1.00 0.00 O ATOM 0 H ASP A 47 -0.817 -10.886 -9.700 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.071 -12.686 -9.380 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.262 -13.031 -10.479 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.460 -14.310 -10.437 1.00 0.00 H new ATOM 733 N SER A 48 -0.858 -12.480 -7.160 1.00 0.00 N ATOM 734 CA SER A 48 -0.353 -12.951 -5.892 1.00 0.00 C ATOM 735 C SER A 48 -1.287 -12.549 -4.757 1.00 0.00 C ATOM 736 O SER A 48 -1.903 -11.485 -4.797 1.00 0.00 O ATOM 737 CB SER A 48 1.023 -12.342 -5.659 1.00 0.00 C ATOM 738 OG SER A 48 1.969 -12.793 -6.615 1.00 0.00 O ATOM 0 H SER A 48 -0.654 -11.498 -7.346 1.00 0.00 H new ATOM 0 HA SER A 48 -0.288 -14.039 -5.914 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.951 -11.255 -5.704 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.369 -12.598 -4.657 1.00 0.00 H new ATOM 0 HG SER A 48 2.875 -12.663 -6.265 1.00 0.00 H new ATOM 744 N GLU A 49 -1.373 -13.397 -3.745 1.00 0.00 N ATOM 745 CA GLU A 49 -2.196 -13.122 -2.571 1.00 0.00 C ATOM 746 C GLU A 49 -1.369 -12.394 -1.516 1.00 0.00 C ATOM 747 O GLU A 49 -1.902 -11.826 -0.564 1.00 0.00 O ATOM 748 CB GLU A 49 -2.735 -14.431 -1.994 1.00 0.00 C ATOM 749 CG GLU A 49 -3.319 -15.354 -3.050 1.00 0.00 C ATOM 750 CD GLU A 49 -3.769 -16.689 -2.491 1.00 0.00 C ATOM 751 OE1 GLU A 49 -4.900 -16.774 -1.976 1.00 0.00 O ATOM 752 OE2 GLU A 49 -2.994 -17.666 -2.577 1.00 0.00 O ATOM 0 H GLU A 49 -0.880 -14.289 -3.710 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.034 -12.491 -2.866 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.930 -14.949 -1.472 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.502 -14.206 -1.253 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.167 -14.861 -3.525 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.574 -15.525 -3.827 1.00 0.00 H new ATOM 759 N ASP A 50 -0.057 -12.430 -1.695 1.00 0.00 N ATOM 760 CA ASP A 50 0.868 -11.799 -0.763 1.00 0.00 C ATOM 761 C ASP A 50 1.439 -10.516 -1.344 1.00 0.00 C ATOM 762 O ASP A 50 2.156 -9.781 -0.664 1.00 0.00 O ATOM 763 CB ASP A 50 2.012 -12.753 -0.424 1.00 0.00 C ATOM 764 CG ASP A 50 1.627 -13.804 0.595 1.00 0.00 C ATOM 765 OD1 ASP A 50 1.034 -14.831 0.202 1.00 0.00 O ATOM 766 OD2 ASP A 50 1.933 -13.616 1.791 1.00 0.00 O ATOM 0 H ASP A 50 0.395 -12.893 -2.484 1.00 0.00 H new ATOM 0 HA ASP A 50 0.313 -11.557 0.144 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.348 -13.246 -1.336 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.856 -12.178 -0.043 1.00 0.00 H new ATOM 771 N GLU A 51 1.114 -10.239 -2.598 1.00 0.00 N ATOM 772 CA GLU A 51 1.670 -9.082 -3.278 1.00 0.00 C ATOM 773 C GLU A 51 0.586 -8.202 -3.871 1.00 0.00 C ATOM 774 O GLU A 51 -0.441 -8.683 -4.352 1.00 0.00 O ATOM 775 CB GLU A 51 2.632 -9.499 -4.389 1.00 0.00 C ATOM 776 CG GLU A 51 3.955 -10.055 -3.896 1.00 0.00 C ATOM 777 CD GLU A 51 4.094 -11.539 -4.154 1.00 0.00 C ATOM 778 OE1 GLU A 51 4.181 -11.934 -5.334 1.00 0.00 O ATOM 779 OE2 GLU A 51 4.116 -12.322 -3.180 1.00 0.00 O ATOM 0 H GLU A 51 0.472 -10.797 -3.161 1.00 0.00 H new ATOM 0 HA GLU A 51 2.213 -8.514 -2.523 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.145 -10.250 -5.011 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.829 -8.636 -5.025 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.772 -9.526 -4.386 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.049 -9.865 -2.827 1.00 0.00 H new ATOM 786 N ILE A 52 0.846 -6.914 -3.847 1.00 0.00 N ATOM 787 CA ILE A 52 -0.018 -5.931 -4.472 1.00 0.00 C ATOM 788 C ILE A 52 0.821 -5.002 -5.328 1.00 0.00 C ATOM 789 O ILE A 52 2.045 -5.067 -5.307 1.00 0.00 O ATOM 790 CB ILE A 52 -0.789 -5.070 -3.451 1.00 0.00 C ATOM 791 CG1 ILE A 52 0.182 -4.346 -2.522 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.769 -5.918 -2.657 1.00 0.00 C ATOM 793 CD1 ILE A 52 -0.416 -3.122 -1.875 1.00 0.00 C ATOM 0 H ILE A 52 1.667 -6.514 -3.392 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.746 -6.484 -5.065 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.362 -4.321 -3.998 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.513 -5.035 -1.745 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.067 -4.054 -3.088 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.300 -5.288 -1.944 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.485 -6.380 -3.337 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.225 -6.695 -2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.325 -2.654 -1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.722 -2.415 -2.646 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.284 -3.411 -1.283 1.00 0.00 H new ATOM 805 N GLU A 53 0.167 -4.143 -6.072 1.00 0.00 N ATOM 806 CA GLU A 53 0.850 -3.162 -6.884 1.00 0.00 C ATOM 807 C GLU A 53 0.279 -1.789 -6.576 1.00 0.00 C ATOM 808 O GLU A 53 -0.937 -1.618 -6.536 1.00 0.00 O ATOM 809 CB GLU A 53 0.667 -3.537 -8.351 1.00 0.00 C ATOM 810 CG GLU A 53 1.403 -2.653 -9.357 1.00 0.00 C ATOM 811 CD GLU A 53 0.688 -1.343 -9.643 1.00 0.00 C ATOM 812 OE1 GLU A 53 -0.551 -1.353 -9.776 1.00 0.00 O ATOM 813 OE2 GLU A 53 1.359 -0.298 -9.725 1.00 0.00 O ATOM 0 H GLU A 53 -0.850 -4.103 -6.133 1.00 0.00 H new ATOM 0 HA GLU A 53 1.918 -3.139 -6.667 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.999 -4.566 -8.488 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.398 -3.512 -8.583 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.402 -2.438 -8.978 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.527 -3.202 -10.290 1.00 0.00 H new ATOM 820 N GLY A 54 1.143 -0.824 -6.330 1.00 0.00 N ATOM 821 CA GLY A 54 0.674 0.491 -5.968 1.00 0.00 C ATOM 822 C GLY A 54 1.551 1.592 -6.512 1.00 0.00 C ATOM 823 O GLY A 54 2.399 1.358 -7.375 1.00 0.00 O ATOM 0 H GLY A 54 2.157 -0.926 -6.374 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.342 0.625 -6.339 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.630 0.570 -4.882 1.00 0.00 H new ATOM 827 N ARG A 55 1.363 2.797 -6.005 1.00 0.00 N ATOM 828 CA ARG A 55 2.074 3.945 -6.524 1.00 0.00 C ATOM 829 C ARG A 55 2.275 5.000 -5.450 1.00 0.00 C ATOM 830 O ARG A 55 1.455 5.157 -4.544 1.00 0.00 O ATOM 831 CB ARG A 55 1.317 4.511 -7.719 1.00 0.00 C ATOM 832 CG ARG A 55 -0.118 4.895 -7.433 1.00 0.00 C ATOM 833 CD ARG A 55 -1.003 4.518 -8.604 1.00 0.00 C ATOM 834 NE ARG A 55 -1.563 3.169 -8.462 1.00 0.00 N ATOM 835 CZ ARG A 55 -1.009 2.050 -8.948 1.00 0.00 C ATOM 836 NH1 ARG A 55 0.129 2.090 -9.626 1.00 0.00 N ATOM 837 NH2 ARG A 55 -1.608 0.884 -8.750 1.00 0.00 N ATOM 0 H ARG A 55 0.725 3.003 -5.236 1.00 0.00 H new ATOM 0 HA ARG A 55 3.065 3.629 -6.850 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.848 5.390 -8.085 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.329 3.774 -8.522 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.464 4.392 -6.530 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.185 5.967 -7.247 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -1.815 5.240 -8.691 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.426 4.575 -9.527 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.442 3.076 -7.954 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.597 2.982 -9.785 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.537 1.228 -9.989 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.485 0.843 -8.231 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.192 0.028 -9.117 1.00 0.00 H new ATOM 851 N THR A 56 3.381 5.706 -5.561 1.00 0.00 N ATOM 852 CA THR A 56 3.756 6.728 -4.603 1.00 0.00 C ATOM 853 C THR A 56 3.924 8.055 -5.329 1.00 0.00 C ATOM 854 O THR A 56 3.585 8.164 -6.512 1.00 0.00 O ATOM 855 CB THR A 56 5.082 6.379 -3.886 1.00 0.00 C ATOM 856 OG1 THR A 56 6.166 6.414 -4.818 1.00 0.00 O ATOM 857 CG2 THR A 56 5.030 4.998 -3.253 1.00 0.00 C ATOM 0 H THR A 56 4.050 5.587 -6.322 1.00 0.00 H new ATOM 0 HA THR A 56 2.968 6.793 -3.853 1.00 0.00 H new ATOM 0 HB THR A 56 5.232 7.120 -3.100 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.013 5.750 -5.522 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.979 4.788 -2.759 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.224 4.964 -2.520 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.850 4.250 -4.025 1.00 0.00 H new ATOM 865 N ASP A 57 4.445 9.053 -4.628 1.00 0.00 N ATOM 866 CA ASP A 57 4.733 10.343 -5.238 1.00 0.00 C ATOM 867 C ASP A 57 5.723 10.177 -6.382 1.00 0.00 C ATOM 868 O ASP A 57 5.519 10.705 -7.477 1.00 0.00 O ATOM 869 CB ASP A 57 5.302 11.315 -4.203 1.00 0.00 C ATOM 870 CG ASP A 57 4.308 11.656 -3.118 1.00 0.00 C ATOM 871 OD1 ASP A 57 3.317 12.354 -3.418 1.00 0.00 O ATOM 872 OD2 ASP A 57 4.516 11.228 -1.959 1.00 0.00 O ATOM 0 H ASP A 57 4.677 8.994 -3.636 1.00 0.00 H new ATOM 0 HA ASP A 57 3.800 10.750 -5.627 1.00 0.00 H new ATOM 0 HB2 ASP A 57 6.192 10.878 -3.751 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.616 12.231 -4.704 1.00 0.00 H new ATOM 877 N LYS A 58 6.790 9.430 -6.131 1.00 0.00 N ATOM 878 CA LYS A 58 7.793 9.181 -7.151 1.00 0.00 C ATOM 879 C LYS A 58 7.536 7.842 -7.825 1.00 0.00 C ATOM 880 O LYS A 58 7.100 7.787 -8.976 1.00 0.00 O ATOM 881 CB LYS A 58 9.204 9.194 -6.556 1.00 0.00 C ATOM 882 CG LYS A 58 10.294 9.252 -7.613 1.00 0.00 C ATOM 883 CD LYS A 58 11.677 9.350 -6.998 1.00 0.00 C ATOM 884 CE LYS A 58 12.744 9.548 -8.064 1.00 0.00 C ATOM 885 NZ LYS A 58 12.871 8.367 -8.959 1.00 0.00 N ATOM 0 H LYS A 58 6.981 8.988 -5.232 1.00 0.00 H new ATOM 0 HA LYS A 58 7.723 9.980 -7.890 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.304 10.052 -5.891 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.344 8.301 -5.947 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.238 8.362 -8.240 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.124 10.111 -8.262 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.706 10.181 -6.293 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.890 8.444 -6.431 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.501 10.428 -8.659 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.703 9.742 -7.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.665 8.512 -9.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.045 7.516 -8.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.992 8.246 -9.502 1.00 0.00 H new ATOM 899 N ILE A 59 7.768 6.766 -7.083 1.00 0.00 N ATOM 900 CA ILE A 59 7.663 5.424 -7.631 1.00 0.00 C ATOM 901 C ILE A 59 6.206 5.051 -7.796 1.00 0.00 C ATOM 902 O ILE A 59 5.533 4.716 -6.826 1.00 0.00 O ATOM 903 CB ILE A 59 8.325 4.369 -6.717 1.00 0.00 C ATOM 904 CG1 ILE A 59 9.587 4.938 -6.053 1.00 0.00 C ATOM 905 CG2 ILE A 59 8.651 3.115 -7.517 1.00 0.00 C ATOM 906 CD1 ILE A 59 10.688 5.292 -7.026 1.00 0.00 C ATOM 0 H ILE A 59 8.031 6.799 -6.098 1.00 0.00 H new ATOM 0 HA ILE A 59 8.179 5.431 -8.591 1.00 0.00 H new ATOM 0 HB ILE A 59 7.623 4.103 -5.926 1.00 0.00 H new ATOM 0 HG12 ILE A 59 9.317 5.829 -5.487 1.00 0.00 H new ATOM 0 HG13 ILE A 59 9.969 4.209 -5.338 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.117 2.378 -6.864 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.733 2.701 -7.935 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.336 3.368 -8.326 1.00 0.00 H new ATOM 0 HD11 ILE A 59 11.544 5.687 -6.479 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.989 4.400 -7.576 1.00 0.00 H new ATOM 0 HD13 ILE A 59 10.326 6.045 -7.726 1.00 0.00 H new ATOM 918 N LYS A 60 5.717 5.116 -9.009 1.00 0.00 N ATOM 919 CA LYS A 60 4.342 4.771 -9.275 1.00 0.00 C ATOM 920 C LYS A 60 4.282 3.605 -10.243 1.00 0.00 C ATOM 921 O LYS A 60 4.775 3.686 -11.368 1.00 0.00 O ATOM 922 CB LYS A 60 3.575 5.988 -9.797 1.00 0.00 C ATOM 923 CG LYS A 60 4.256 6.698 -10.949 1.00 0.00 C ATOM 924 CD LYS A 60 3.536 7.988 -11.315 1.00 0.00 C ATOM 925 CE LYS A 60 3.563 8.989 -10.164 1.00 0.00 C ATOM 926 NZ LYS A 60 4.935 9.511 -9.902 1.00 0.00 N ATOM 0 H LYS A 60 6.251 5.405 -9.829 1.00 0.00 H new ATOM 0 HA LYS A 60 3.861 4.461 -8.347 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.582 5.670 -10.116 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.436 6.695 -8.979 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.289 6.920 -10.681 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.287 6.039 -11.817 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.004 8.430 -12.194 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.503 7.766 -11.582 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.897 9.821 -10.393 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.179 8.513 -9.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.916 10.135 -9.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.581 8.716 -9.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.266 10.047 -10.729 1.00 0.00 H new ATOM 940 N GLY A 61 3.707 2.513 -9.781 1.00 0.00 N ATOM 941 CA GLY A 61 3.689 1.302 -10.563 1.00 0.00 C ATOM 942 C GLY A 61 4.694 0.298 -10.048 1.00 0.00 C ATOM 943 O GLY A 61 5.418 -0.325 -10.828 1.00 0.00 O ATOM 0 H GLY A 61 3.249 2.443 -8.872 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.691 0.865 -10.537 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.908 1.537 -11.605 1.00 0.00 H new ATOM 947 N LEU A 62 4.760 0.151 -8.730 1.00 0.00 N ATOM 948 CA LEU A 62 5.678 -0.790 -8.129 1.00 0.00 C ATOM 949 C LEU A 62 4.903 -1.890 -7.411 1.00 0.00 C ATOM 950 O LEU A 62 3.949 -1.624 -6.672 1.00 0.00 O ATOM 951 CB LEU A 62 6.662 -0.090 -7.172 1.00 0.00 C ATOM 952 CG LEU A 62 6.150 0.216 -5.763 1.00 0.00 C ATOM 953 CD1 LEU A 62 7.310 0.617 -4.865 1.00 0.00 C ATOM 954 CD2 LEU A 62 5.110 1.324 -5.780 1.00 0.00 C ATOM 0 H LEU A 62 4.188 0.672 -8.065 1.00 0.00 H new ATOM 0 HA LEU A 62 6.271 -1.242 -8.924 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.552 -0.714 -7.083 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.975 0.848 -7.632 1.00 0.00 H new ATOM 0 HG LEU A 62 5.680 -0.687 -5.374 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.937 0.833 -3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.031 -0.199 -4.815 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.795 1.505 -5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.767 1.517 -4.763 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.552 2.231 -6.192 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.264 1.020 -6.397 1.00 0.00 H new ATOM 966 N VAL A 63 5.302 -3.122 -7.659 1.00 0.00 N ATOM 967 CA VAL A 63 4.667 -4.276 -7.042 1.00 0.00 C ATOM 968 C VAL A 63 5.378 -4.618 -5.742 1.00 0.00 C ATOM 969 O VAL A 63 6.593 -4.824 -5.727 1.00 0.00 O ATOM 970 CB VAL A 63 4.692 -5.505 -7.978 1.00 0.00 C ATOM 971 CG1 VAL A 63 3.987 -6.694 -7.340 1.00 0.00 C ATOM 972 CG2 VAL A 63 4.061 -5.171 -9.320 1.00 0.00 C ATOM 0 H VAL A 63 6.070 -3.353 -8.289 1.00 0.00 H new ATOM 0 HA VAL A 63 3.626 -4.019 -6.844 1.00 0.00 H new ATOM 0 HB VAL A 63 5.734 -5.778 -8.144 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.020 -7.545 -8.021 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.487 -6.956 -6.408 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.949 -6.434 -7.134 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.089 -6.050 -9.964 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.026 -4.864 -9.169 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.615 -4.359 -9.791 1.00 0.00 H new ATOM 982 N LEU A 64 4.628 -4.671 -4.656 1.00 0.00 N ATOM 983 CA LEU A 64 5.210 -4.946 -3.350 1.00 0.00 C ATOM 984 C LEU A 64 4.416 -5.974 -2.576 1.00 0.00 C ATOM 985 O LEU A 64 3.193 -6.054 -2.688 1.00 0.00 O ATOM 986 CB LEU A 64 5.321 -3.671 -2.514 1.00 0.00 C ATOM 987 CG LEU A 64 6.519 -2.790 -2.843 1.00 0.00 C ATOM 988 CD1 LEU A 64 6.357 -1.415 -2.215 1.00 0.00 C ATOM 989 CD2 LEU A 64 7.796 -3.464 -2.361 1.00 0.00 C ATOM 0 H LEU A 64 3.618 -4.528 -4.650 1.00 0.00 H new ATOM 0 HA LEU A 64 6.206 -5.347 -3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.411 -3.086 -2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.370 -3.948 -1.461 1.00 0.00 H new ATOM 0 HG LEU A 64 6.581 -2.657 -3.923 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.222 -0.799 -2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.454 -0.943 -2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.279 -1.516 -1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.652 -2.832 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.743 -3.615 -1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.908 -4.428 -2.857 1.00 0.00 H new ATOM 1001 N ARG A 65 5.131 -6.765 -1.800 1.00 0.00 N ATOM 1002 CA ARG A 65 4.513 -7.661 -0.846 1.00 0.00 C ATOM 1003 C ARG A 65 3.789 -6.858 0.220 1.00 0.00 C ATOM 1004 O ARG A 65 4.350 -5.935 0.814 1.00 0.00 O ATOM 1005 CB ARG A 65 5.562 -8.562 -0.203 1.00 0.00 C ATOM 1006 CG ARG A 65 6.855 -7.842 0.136 1.00 0.00 C ATOM 1007 CD ARG A 65 7.814 -8.745 0.899 1.00 0.00 C ATOM 1008 NE ARG A 65 8.426 -9.751 0.027 1.00 0.00 N ATOM 1009 CZ ARG A 65 8.763 -10.986 0.413 1.00 0.00 C ATOM 1010 NH1 ARG A 65 8.445 -11.429 1.621 1.00 0.00 N ATOM 1011 NH2 ARG A 65 9.393 -11.791 -0.430 1.00 0.00 N ATOM 0 H ARG A 65 6.150 -6.804 -1.813 1.00 0.00 H new ATOM 0 HA ARG A 65 3.793 -8.290 -1.370 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.148 -8.996 0.707 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.782 -9.389 -0.878 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.331 -7.497 -0.781 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.634 -6.957 0.733 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.595 -8.139 1.359 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.279 -9.243 1.708 1.00 0.00 H new ATOM 0 HE ARG A 65 8.608 -9.491 -0.942 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.937 -10.826 2.268 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.708 -12.373 1.903 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.620 -11.468 -1.371 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.651 -12.734 -0.138 1.00 0.00 H new ATOM 1025 N THR A 66 2.554 -7.226 0.471 1.00 0.00 N ATOM 1026 CA THR A 66 1.704 -6.490 1.388 1.00 0.00 C ATOM 1027 C THR A 66 1.914 -6.964 2.833 1.00 0.00 C ATOM 1028 O THR A 66 1.001 -6.938 3.656 1.00 0.00 O ATOM 1029 CB THR A 66 0.221 -6.640 0.963 1.00 0.00 C ATOM 1030 OG1 THR A 66 -0.639 -5.890 1.829 1.00 0.00 O ATOM 1031 CG2 THR A 66 -0.196 -8.106 0.956 1.00 0.00 C ATOM 0 H THR A 66 2.108 -8.040 0.049 1.00 0.00 H new ATOM 0 HA THR A 66 1.975 -5.435 1.348 1.00 0.00 H new ATOM 0 HB THR A 66 0.125 -6.245 -0.048 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.286 -6.493 2.250 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.240 -8.186 0.655 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.428 -8.658 0.253 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.074 -8.524 1.955 1.00 0.00 H new ATOM 1039 N GLU A 67 3.140 -7.364 3.158 1.00 0.00 N ATOM 1040 CA GLU A 67 3.430 -7.861 4.496 1.00 0.00 C ATOM 1041 C GLU A 67 3.756 -6.710 5.420 1.00 0.00 C ATOM 1042 O GLU A 67 3.514 -6.766 6.624 1.00 0.00 O ATOM 1043 CB GLU A 67 4.613 -8.814 4.467 1.00 0.00 C ATOM 1044 CG GLU A 67 4.589 -9.756 3.290 1.00 0.00 C ATOM 1045 CD GLU A 67 5.574 -10.883 3.445 1.00 0.00 C ATOM 1046 OE1 GLU A 67 6.791 -10.611 3.449 1.00 0.00 O ATOM 1047 OE2 GLU A 67 5.132 -12.042 3.588 1.00 0.00 O ATOM 0 H GLU A 67 3.938 -7.354 2.522 1.00 0.00 H new ATOM 0 HA GLU A 67 2.548 -8.389 4.858 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.537 -8.236 4.442 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.626 -9.395 5.389 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.586 -10.166 3.175 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.814 -9.202 2.379 1.00 0.00 H new ATOM 1054 N PHE A 68 4.309 -5.669 4.832 1.00 0.00 N ATOM 1055 CA PHE A 68 4.796 -4.531 5.590 1.00 0.00 C ATOM 1056 C PHE A 68 3.973 -3.286 5.293 1.00 0.00 C ATOM 1057 O PHE A 68 4.397 -2.159 5.568 1.00 0.00 O ATOM 1058 CB PHE A 68 6.278 -4.302 5.278 1.00 0.00 C ATOM 1059 CG PHE A 68 6.587 -4.068 3.823 1.00 0.00 C ATOM 1060 CD1 PHE A 68 6.423 -2.818 3.252 1.00 0.00 C ATOM 1061 CD2 PHE A 68 7.052 -5.104 3.032 1.00 0.00 C ATOM 1062 CE1 PHE A 68 6.720 -2.605 1.920 1.00 0.00 C ATOM 1063 CE2 PHE A 68 7.349 -4.896 1.701 1.00 0.00 C ATOM 1064 CZ PHE A 68 7.180 -3.646 1.143 1.00 0.00 C ATOM 0 H PHE A 68 4.434 -5.586 3.823 1.00 0.00 H new ATOM 0 HA PHE A 68 4.691 -4.743 6.654 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.627 -3.444 5.852 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.845 -5.167 5.621 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.059 -2.000 3.855 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.184 -6.086 3.461 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.592 -1.624 1.488 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.714 -5.712 1.096 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.408 -3.484 0.100 1.00 0.00 H new ATOM 1074 N LEU A 69 2.782 -3.493 4.756 1.00 0.00 N ATOM 1075 CA LEU A 69 1.908 -2.389 4.421 1.00 0.00 C ATOM 1076 C LEU A 69 0.679 -2.414 5.308 1.00 0.00 C ATOM 1077 O LEU A 69 0.184 -3.479 5.686 1.00 0.00 O ATOM 1078 CB LEU A 69 1.498 -2.446 2.952 1.00 0.00 C ATOM 1079 CG LEU A 69 2.657 -2.455 1.950 1.00 0.00 C ATOM 1080 CD1 LEU A 69 2.150 -2.729 0.546 1.00 0.00 C ATOM 1081 CD2 LEU A 69 3.411 -1.134 1.987 1.00 0.00 C ATOM 0 H LEU A 69 2.402 -4.415 4.544 1.00 0.00 H new ATOM 0 HA LEU A 69 2.450 -1.458 4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.896 -3.341 2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.859 -1.590 2.736 1.00 0.00 H new ATOM 0 HG LEU A 69 3.342 -3.254 2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.989 -2.731 -0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.655 -3.700 0.521 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.441 -1.953 0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.230 -1.162 1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.732 -0.320 1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.812 -0.972 2.987 1.00 0.00 H new ATOM 1093 N LYS A 70 0.210 -1.237 5.650 1.00 0.00 N ATOM 1094 CA LYS A 70 -0.947 -1.087 6.504 1.00 0.00 C ATOM 1095 C LYS A 70 -2.082 -0.456 5.719 1.00 0.00 C ATOM 1096 O LYS A 70 -1.920 0.632 5.176 1.00 0.00 O ATOM 1097 CB LYS A 70 -0.604 -0.196 7.699 1.00 0.00 C ATOM 1098 CG LYS A 70 -1.086 -0.746 9.034 1.00 0.00 C ATOM 1099 CD LYS A 70 -2.531 -1.214 8.964 1.00 0.00 C ATOM 1100 CE LYS A 70 -3.011 -1.763 10.296 1.00 0.00 C ATOM 1101 NZ LYS A 70 -4.403 -2.280 10.210 1.00 0.00 N ATOM 0 H LYS A 70 0.620 -0.355 5.344 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.251 -2.070 6.863 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.477 -0.061 7.741 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.043 0.790 7.543 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.449 -1.577 9.336 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.990 0.023 9.800 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.168 -0.383 8.663 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.627 -1.983 8.198 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.345 -2.563 10.621 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.960 -0.979 11.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.695 -2.646 11.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.042 -1.511 9.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.446 -3.045 9.507 1.00 0.00 H new ATOM 1115 N LYS A 71 -3.214 -1.141 5.655 1.00 0.00 N ATOM 1116 CA LYS A 71 -4.396 -0.598 5.002 1.00 0.00 C ATOM 1117 C LYS A 71 -4.777 0.723 5.662 1.00 0.00 C ATOM 1118 O LYS A 71 -5.041 0.768 6.865 1.00 0.00 O ATOM 1119 CB LYS A 71 -5.559 -1.585 5.103 1.00 0.00 C ATOM 1120 CG LYS A 71 -6.788 -1.157 4.323 1.00 0.00 C ATOM 1121 CD LYS A 71 -8.002 -1.983 4.711 1.00 0.00 C ATOM 1122 CE LYS A 71 -9.233 -1.593 3.912 1.00 0.00 C ATOM 1123 NZ LYS A 71 -9.113 -1.967 2.480 1.00 0.00 N ATOM 0 H LYS A 71 -3.339 -2.074 6.047 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.175 -0.428 3.948 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.230 -2.559 4.741 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.829 -1.709 6.152 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.989 -0.102 4.507 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.599 -1.264 3.255 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.787 -3.040 4.553 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.204 -1.854 5.774 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.111 -2.077 4.340 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.391 -0.518 3.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.901 -1.550 1.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.212 -1.611 2.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.142 -3.003 2.388 1.00 0.00 H new ATOM 1137 N ALA A 72 -4.796 1.790 4.880 1.00 0.00 N ATOM 1138 CA ALA A 72 -5.035 3.118 5.418 1.00 0.00 C ATOM 1139 C ALA A 72 -6.517 3.328 5.686 1.00 0.00 C ATOM 1140 O ALA A 72 -7.292 3.614 4.777 1.00 0.00 O ATOM 1141 CB ALA A 72 -4.496 4.184 4.473 1.00 0.00 C ATOM 0 H ALA A 72 -4.649 1.762 3.871 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.504 3.207 6.366 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.685 5.172 4.893 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.423 4.044 4.341 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.994 4.100 3.507 1.00 0.00 H new ATOM 1147 N GLY A 73 -6.908 3.167 6.937 1.00 0.00 N ATOM 1148 CA GLY A 73 -8.302 3.297 7.296 1.00 0.00 C ATOM 1149 C GLY A 73 -8.487 4.144 8.533 1.00 0.00 C ATOM 1150 O GLY A 73 -9.481 4.005 9.243 1.00 0.00 O ATOM 0 H GLY A 73 -6.284 2.948 7.713 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.851 3.742 6.466 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.727 2.308 7.466 1.00 0.00 H new ATOM 1154 N SER A 74 -7.522 5.012 8.793 1.00 0.00 N ATOM 1155 CA SER A 74 -7.575 5.897 9.943 1.00 0.00 C ATOM 1156 C SER A 74 -8.706 6.906 9.760 1.00 0.00 C ATOM 1157 O SER A 74 -8.571 7.811 8.906 1.00 0.00 O ATOM 1158 CB SER A 74 -6.229 6.609 10.120 1.00 0.00 C ATOM 1159 OG SER A 74 -6.135 7.240 11.388 1.00 0.00 O ATOM 1160 OXT SER A 74 -9.740 6.775 10.450 1.00 0.00 O ATOM 0 H SER A 74 -6.687 5.122 8.217 1.00 0.00 H new ATOM 0 HA SER A 74 -7.771 5.314 10.843 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.418 5.889 10.010 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.104 7.352 9.333 1.00 0.00 H new ATOM 0 HG SER A 74 -5.265 7.683 11.469 1.00 0.00 H new TER 1166 SER A 74