USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 542 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 -162:sc= -0.0917 (180deg=-0.544) USER MOD Single : A 1 MET N :NH3+ -120:sc= 1.79 (180deg=1.41) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -1.4! C(o=-1.4!,f=-3.7!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 14 SER OG : rot -70:sc= 0.214 USER MOD Single : A 16 SER OG : rot 102:sc= 0.105 USER MOD Single : A 21 MET CE :methyl -122:sc= -1 (180deg=-4.51!) USER MOD Single : A 22 THR OG1 : rot 74:sc= 0.797 USER MOD Single : A 26 CYS SG : rot 180:sc= -2.03 USER MOD Single : A 27 THR OG1 : rot -30:sc= 0.583 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.868 K(o=-0.87,f=-2.2!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -170:sc= -0.0256 (180deg=-0.166) USER MOD Single : A 48 THR OG1 : rot 77:sc= 1.2 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 52:sc= 0.52 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 70 HIS : no HD1:sc= -0.224 K(o=-0.22,f=-0.99) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.718 10.563 -0.777 1.00 0.00 N ATOM 2 CA MET A 1 7.093 9.712 -1.919 1.00 0.00 C ATOM 3 C MET A 1 5.888 9.496 -2.856 1.00 0.00 C ATOM 4 O MET A 1 4.773 9.211 -2.402 1.00 0.00 O ATOM 5 CB MET A 1 7.673 8.356 -1.426 1.00 0.00 C ATOM 6 CG MET A 1 6.732 7.476 -0.571 1.00 0.00 C ATOM 7 SD MET A 1 6.378 8.164 1.063 1.00 0.00 S ATOM 8 CE MET A 1 8.007 8.150 1.822 1.00 0.00 C ATOM 0 H1 MET A 1 7.306 11.421 -0.775 1.00 0.00 H new ATOM 0 H2 MET A 1 5.716 10.831 -0.858 1.00 0.00 H new ATOM 0 H3 MET A 1 6.866 10.040 0.109 1.00 0.00 H new ATOM 0 HA MET A 1 7.871 10.221 -2.488 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.982 7.779 -2.298 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.572 8.560 -0.844 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.794 7.336 -1.107 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.181 6.490 -0.451 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.905 8.236 2.904 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.514 7.216 1.578 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.591 8.989 1.445 1.00 0.00 H new ATOM 20 N LEU A 2 6.121 9.672 -4.168 1.00 0.00 N ATOM 21 CA LEU A 2 5.118 9.400 -5.210 1.00 0.00 C ATOM 22 C LEU A 2 5.104 7.881 -5.459 1.00 0.00 C ATOM 23 O LEU A 2 6.123 7.306 -5.843 1.00 0.00 O ATOM 24 CB LEU A 2 5.458 10.201 -6.517 1.00 0.00 C ATOM 25 CG LEU A 2 4.274 10.521 -7.506 1.00 0.00 C ATOM 26 CD1 LEU A 2 4.747 11.415 -8.671 1.00 0.00 C ATOM 27 CD2 LEU A 2 3.573 9.256 -8.055 1.00 0.00 C ATOM 0 H LEU A 2 7.011 10.007 -4.535 1.00 0.00 H new ATOM 0 HA LEU A 2 4.128 9.725 -4.891 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.914 11.146 -6.223 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.213 9.640 -7.068 1.00 0.00 H new ATOM 0 HG LEU A 2 3.534 11.061 -6.916 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.908 11.619 -9.337 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.133 12.354 -8.275 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.534 10.904 -9.225 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.768 9.550 -8.729 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.296 8.646 -8.597 1.00 0.00 H new ATOM 0 HD23 LEU A 2 3.160 8.680 -7.227 1.00 0.00 H new ATOM 39 N VAL A 3 3.949 7.245 -5.210 1.00 0.00 N ATOM 40 CA VAL A 3 3.728 5.797 -5.416 1.00 0.00 C ATOM 41 C VAL A 3 2.422 5.558 -6.211 1.00 0.00 C ATOM 42 O VAL A 3 1.432 6.280 -6.038 1.00 0.00 O ATOM 43 CB VAL A 3 3.695 5.018 -4.041 1.00 0.00 C ATOM 44 CG1 VAL A 3 5.080 5.037 -3.357 1.00 0.00 C ATOM 45 CG2 VAL A 3 2.616 5.597 -3.099 1.00 0.00 C ATOM 0 H VAL A 3 3.124 7.728 -4.853 1.00 0.00 H new ATOM 0 HA VAL A 3 4.565 5.409 -5.996 1.00 0.00 H new ATOM 0 HB VAL A 3 3.437 3.981 -4.256 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.027 4.494 -2.413 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.814 4.563 -4.008 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.377 6.068 -3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.616 5.042 -2.161 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.832 6.647 -2.899 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.637 5.512 -3.571 1.00 0.00 H new ATOM 55 N THR A 4 2.453 4.551 -7.102 1.00 0.00 N ATOM 56 CA THR A 4 1.307 4.156 -7.926 1.00 0.00 C ATOM 57 C THR A 4 0.346 3.290 -7.087 1.00 0.00 C ATOM 58 O THR A 4 0.571 2.094 -6.927 1.00 0.00 O ATOM 59 CB THR A 4 1.785 3.339 -9.184 1.00 0.00 C ATOM 60 OG1 THR A 4 2.904 3.983 -9.810 1.00 0.00 O ATOM 61 CG2 THR A 4 0.668 3.181 -10.213 1.00 0.00 C ATOM 0 H THR A 4 3.285 3.985 -7.269 1.00 0.00 H new ATOM 0 HA THR A 4 0.794 5.056 -8.267 1.00 0.00 H new ATOM 0 HB THR A 4 2.077 2.351 -8.828 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.189 3.460 -10.589 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.037 2.612 -11.066 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.172 2.653 -9.761 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.340 4.165 -10.548 1.00 0.00 H new ATOM 69 N ILE A 5 -0.727 3.895 -6.559 1.00 0.00 N ATOM 70 CA ILE A 5 -1.723 3.190 -5.734 1.00 0.00 C ATOM 71 C ILE A 5 -2.988 2.949 -6.564 1.00 0.00 C ATOM 72 O ILE A 5 -3.680 3.904 -6.929 1.00 0.00 O ATOM 73 CB ILE A 5 -2.050 3.970 -4.412 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.756 4.137 -3.561 1.00 0.00 C ATOM 75 CG2 ILE A 5 -3.165 3.261 -3.596 1.00 0.00 C ATOM 76 CD1 ILE A 5 -0.929 4.941 -2.288 1.00 0.00 C ATOM 0 H ILE A 5 -0.931 4.886 -6.690 1.00 0.00 H new ATOM 0 HA ILE A 5 -1.304 2.231 -5.430 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.425 4.958 -4.680 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.380 3.148 -3.300 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.006 4.616 -4.175 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.367 3.828 -2.687 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.073 3.202 -4.196 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.839 2.255 -3.332 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.025 5.002 -1.764 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.272 5.945 -2.536 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.664 4.454 -1.647 1.00 0.00 H new ATOM 88 N ASN A 6 -3.233 1.655 -6.890 1.00 0.00 N ATOM 89 CA ASN A 6 -4.377 1.196 -7.718 1.00 0.00 C ATOM 90 C ASN A 6 -4.290 1.746 -9.157 1.00 0.00 C ATOM 91 O ASN A 6 -5.285 1.782 -9.874 1.00 0.00 O ATOM 92 CB ASN A 6 -5.738 1.566 -7.052 1.00 0.00 C ATOM 93 CG ASN A 6 -5.957 0.862 -5.711 1.00 0.00 C ATOM 94 OD1 ASN A 6 -5.583 -0.290 -5.545 1.00 0.00 O ATOM 95 ND2 ASN A 6 -6.546 1.558 -4.744 1.00 0.00 N ATOM 0 H ASN A 6 -2.633 0.890 -6.581 1.00 0.00 H new ATOM 0 HA ASN A 6 -4.322 0.109 -7.781 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -5.781 2.645 -6.901 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -6.551 1.306 -7.730 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -6.698 1.133 -3.830 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -6.846 2.518 -4.916 1.00 0.00 H new ATOM 102 N GLY A 7 -3.071 2.115 -9.584 1.00 0.00 N ATOM 103 CA GLY A 7 -2.853 2.731 -10.894 1.00 0.00 C ATOM 104 C GLY A 7 -2.836 4.249 -10.855 1.00 0.00 C ATOM 105 O GLY A 7 -2.372 4.879 -11.806 1.00 0.00 O ATOM 0 H GLY A 7 -2.220 1.995 -9.034 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.906 2.375 -11.301 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.637 2.402 -11.576 1.00 0.00 H new ATOM 109 N GLU A 8 -3.316 4.843 -9.754 1.00 0.00 N ATOM 110 CA GLU A 8 -3.350 6.304 -9.587 1.00 0.00 C ATOM 111 C GLU A 8 -2.009 6.792 -9.025 1.00 0.00 C ATOM 112 O GLU A 8 -1.498 6.229 -8.055 1.00 0.00 O ATOM 113 CB GLU A 8 -4.507 6.736 -8.644 1.00 0.00 C ATOM 114 CG GLU A 8 -5.933 6.616 -9.223 1.00 0.00 C ATOM 115 CD GLU A 8 -6.379 5.176 -9.526 1.00 0.00 C ATOM 116 OE1 GLU A 8 -6.763 4.456 -8.590 1.00 0.00 O ATOM 117 OE2 GLU A 8 -6.337 4.756 -10.702 1.00 0.00 O ATOM 0 H GLU A 8 -3.690 4.328 -8.957 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.524 6.755 -10.564 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.453 6.135 -7.736 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.342 7.773 -8.350 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -6.636 7.060 -8.518 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.989 7.201 -10.141 1.00 0.00 H new ATOM 124 N GLN A 9 -1.464 7.852 -9.633 1.00 0.00 N ATOM 125 CA GLN A 9 -0.212 8.476 -9.184 1.00 0.00 C ATOM 126 C GLN A 9 -0.494 9.294 -7.913 1.00 0.00 C ATOM 127 O GLN A 9 -1.039 10.399 -7.982 1.00 0.00 O ATOM 128 CB GLN A 9 0.370 9.357 -10.326 1.00 0.00 C ATOM 129 CG GLN A 9 0.580 8.585 -11.646 1.00 0.00 C ATOM 130 CD GLN A 9 1.046 9.457 -12.807 1.00 0.00 C ATOM 131 OE1 GLN A 9 0.235 10.006 -13.550 1.00 0.00 O ATOM 132 NE2 GLN A 9 2.348 9.586 -12.981 1.00 0.00 N ATOM 0 H GLN A 9 -1.877 8.302 -10.450 1.00 0.00 H new ATOM 0 HA GLN A 9 0.533 7.717 -8.944 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.302 10.196 -10.507 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.323 9.776 -10.003 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.313 7.796 -11.481 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.355 8.098 -11.923 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.996 9.118 -12.347 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.706 10.154 -13.749 1.00 0.00 H new ATOM 141 N ARG A 10 -0.161 8.711 -6.751 1.00 0.00 N ATOM 142 CA ARG A 10 -0.449 9.290 -5.422 1.00 0.00 C ATOM 143 C ARG A 10 0.829 9.852 -4.811 1.00 0.00 C ATOM 144 O ARG A 10 1.904 9.309 -5.025 1.00 0.00 O ATOM 145 CB ARG A 10 -1.036 8.220 -4.469 1.00 0.00 C ATOM 146 CG ARG A 10 -2.379 7.626 -4.909 1.00 0.00 C ATOM 147 CD ARG A 10 -3.514 8.658 -4.997 1.00 0.00 C ATOM 148 NE ARG A 10 -4.805 8.003 -5.263 1.00 0.00 N ATOM 149 CZ ARG A 10 -5.907 8.591 -5.760 1.00 0.00 C ATOM 150 NH1 ARG A 10 -5.915 9.885 -6.083 1.00 0.00 N ATOM 151 NH2 ARG A 10 -7.002 7.862 -5.942 1.00 0.00 N ATOM 0 H ARG A 10 0.322 7.814 -6.703 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.180 10.088 -5.553 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.314 7.410 -4.368 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.158 8.663 -3.481 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.255 7.152 -5.883 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.666 6.842 -4.208 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.573 9.219 -4.065 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.297 9.376 -5.788 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.870 7.008 -5.050 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.074 10.448 -5.954 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.762 10.312 -6.459 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.999 6.870 -5.705 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.846 8.294 -6.318 1.00 0.00 H new ATOM 165 N GLU A 11 0.689 10.936 -4.055 1.00 0.00 N ATOM 166 CA GLU A 11 1.781 11.533 -3.272 1.00 0.00 C ATOM 167 C GLU A 11 1.493 11.283 -1.793 1.00 0.00 C ATOM 168 O GLU A 11 0.599 11.901 -1.218 1.00 0.00 O ATOM 169 CB GLU A 11 1.910 13.051 -3.578 1.00 0.00 C ATOM 170 CG GLU A 11 3.056 13.770 -2.823 1.00 0.00 C ATOM 171 CD GLU A 11 4.434 13.113 -3.022 1.00 0.00 C ATOM 172 OE1 GLU A 11 4.913 13.056 -4.179 1.00 0.00 O ATOM 173 OE2 GLU A 11 5.051 12.655 -2.035 1.00 0.00 O ATOM 0 H GLU A 11 -0.195 11.436 -3.963 1.00 0.00 H new ATOM 0 HA GLU A 11 2.733 11.076 -3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.063 13.180 -4.650 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.968 13.539 -3.329 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.106 14.806 -3.157 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.822 13.789 -1.758 1.00 0.00 H new ATOM 180 N VAL A 12 2.218 10.327 -1.204 1.00 0.00 N ATOM 181 CA VAL A 12 2.031 9.909 0.196 1.00 0.00 C ATOM 182 C VAL A 12 3.264 10.284 1.029 1.00 0.00 C ATOM 183 O VAL A 12 4.316 10.603 0.482 1.00 0.00 O ATOM 184 CB VAL A 12 1.741 8.360 0.298 1.00 0.00 C ATOM 185 CG1 VAL A 12 0.555 7.959 -0.610 1.00 0.00 C ATOM 186 CG2 VAL A 12 2.988 7.501 -0.014 1.00 0.00 C ATOM 0 H VAL A 12 2.957 9.815 -1.686 1.00 0.00 H new ATOM 0 HA VAL A 12 1.163 10.435 0.594 1.00 0.00 H new ATOM 0 HB VAL A 12 1.470 8.158 1.334 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.375 6.888 -0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.338 8.503 -0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.791 8.203 -1.646 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.733 6.445 0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.331 7.711 -1.027 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.781 7.740 0.694 1.00 0.00 H new ATOM 196 N GLN A 13 3.114 10.247 2.355 1.00 0.00 N ATOM 197 CA GLN A 13 4.220 10.482 3.314 1.00 0.00 C ATOM 198 C GLN A 13 4.281 9.324 4.327 1.00 0.00 C ATOM 199 O GLN A 13 5.042 9.373 5.302 1.00 0.00 O ATOM 200 CB GLN A 13 4.018 11.849 4.033 1.00 0.00 C ATOM 201 CG GLN A 13 2.826 11.898 5.013 1.00 0.00 C ATOM 202 CD GLN A 13 2.522 13.298 5.558 1.00 0.00 C ATOM 203 OE1 GLN A 13 2.748 14.307 4.892 1.00 0.00 O ATOM 204 NE2 GLN A 13 2.017 13.368 6.777 1.00 0.00 N ATOM 0 H GLN A 13 2.220 10.053 2.806 1.00 0.00 H new ATOM 0 HA GLN A 13 5.168 10.519 2.778 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.929 12.094 4.579 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.881 12.623 3.278 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.939 11.515 4.509 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.030 11.230 5.850 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.840 12.514 7.306 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.804 14.276 7.189 1.00 0.00 H new ATOM 213 N SER A 14 3.489 8.277 4.040 1.00 0.00 N ATOM 214 CA SER A 14 3.230 7.153 4.942 1.00 0.00 C ATOM 215 C SER A 14 4.516 6.436 5.385 1.00 0.00 C ATOM 216 O SER A 14 4.694 6.160 6.577 1.00 0.00 O ATOM 217 CB SER A 14 2.295 6.165 4.227 1.00 0.00 C ATOM 218 OG SER A 14 1.153 6.832 3.723 1.00 0.00 O ATOM 0 H SER A 14 3.000 8.191 3.149 1.00 0.00 H new ATOM 0 HA SER A 14 2.767 7.543 5.848 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.828 5.678 3.410 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.988 5.381 4.919 1.00 0.00 H new ATOM 0 HG SER A 14 0.584 7.116 4.469 1.00 0.00 H new ATOM 224 N ALA A 15 5.372 6.106 4.392 1.00 0.00 N ATOM 225 CA ALA A 15 6.646 5.383 4.599 1.00 0.00 C ATOM 226 C ALA A 15 6.442 3.960 5.199 1.00 0.00 C ATOM 227 O ALA A 15 7.419 3.289 5.527 1.00 0.00 O ATOM 228 CB ALA A 15 7.624 6.226 5.445 1.00 0.00 C ATOM 0 H ALA A 15 5.195 6.337 3.414 1.00 0.00 H new ATOM 0 HA ALA A 15 7.091 5.233 3.615 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.554 5.674 5.584 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.833 7.165 4.932 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.177 6.435 6.417 1.00 0.00 H new ATOM 234 N SER A 16 5.173 3.498 5.267 1.00 0.00 N ATOM 235 CA SER A 16 4.768 2.211 5.866 1.00 0.00 C ATOM 236 C SER A 16 3.367 1.866 5.351 1.00 0.00 C ATOM 237 O SER A 16 2.530 2.763 5.217 1.00 0.00 O ATOM 238 CB SER A 16 4.765 2.288 7.415 1.00 0.00 C ATOM 239 OG SER A 16 4.332 1.064 8.003 1.00 0.00 O ATOM 0 H SER A 16 4.383 4.026 4.896 1.00 0.00 H new ATOM 0 HA SER A 16 5.481 1.438 5.581 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.768 2.527 7.769 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.111 3.098 7.738 1.00 0.00 H new ATOM 0 HG SER A 16 5.110 0.564 8.327 1.00 0.00 H new ATOM 245 N VAL A 17 3.127 0.575 5.074 1.00 0.00 N ATOM 246 CA VAL A 17 1.874 0.097 4.455 1.00 0.00 C ATOM 247 C VAL A 17 0.690 0.166 5.448 1.00 0.00 C ATOM 248 O VAL A 17 -0.441 0.432 5.037 1.00 0.00 O ATOM 249 CB VAL A 17 2.052 -1.363 3.873 1.00 0.00 C ATOM 250 CG1 VAL A 17 0.749 -1.913 3.244 1.00 0.00 C ATOM 251 CG2 VAL A 17 3.210 -1.405 2.847 1.00 0.00 C ATOM 0 H VAL A 17 3.795 -0.170 5.272 1.00 0.00 H new ATOM 0 HA VAL A 17 1.640 0.762 3.624 1.00 0.00 H new ATOM 0 HB VAL A 17 2.299 -2.011 4.714 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.926 -2.918 2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.034 -1.947 4.001 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.436 -1.262 2.427 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.316 -2.418 2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.993 -0.722 2.025 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.138 -1.104 3.333 1.00 0.00 H new ATOM 261 N ALA A 18 0.957 -0.054 6.755 1.00 0.00 N ATOM 262 CA ALA A 18 -0.079 0.053 7.813 1.00 0.00 C ATOM 263 C ALA A 18 -0.613 1.484 7.889 1.00 0.00 C ATOM 264 O ALA A 18 -1.827 1.715 7.775 1.00 0.00 O ATOM 265 CB ALA A 18 0.477 -0.387 9.176 1.00 0.00 C ATOM 0 H ALA A 18 1.881 -0.307 7.105 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.901 -0.615 7.554 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.303 -0.299 9.933 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.809 -1.424 9.116 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.320 0.249 9.448 1.00 0.00 H new ATOM 271 N ALA A 19 0.329 2.438 8.038 1.00 0.00 N ATOM 272 CA ALA A 19 0.042 3.877 8.046 1.00 0.00 C ATOM 273 C ALA A 19 -0.724 4.283 6.781 1.00 0.00 C ATOM 274 O ALA A 19 -1.732 4.984 6.858 1.00 0.00 O ATOM 275 CB ALA A 19 1.354 4.668 8.154 1.00 0.00 C ATOM 0 H ALA A 19 1.319 2.223 8.157 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.583 4.105 8.909 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.136 5.736 8.160 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.867 4.398 9.077 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.992 4.433 7.302 1.00 0.00 H new ATOM 281 N LEU A 20 -0.249 3.767 5.636 1.00 0.00 N ATOM 282 CA LEU A 20 -0.777 4.083 4.308 1.00 0.00 C ATOM 283 C LEU A 20 -2.263 3.732 4.186 1.00 0.00 C ATOM 284 O LEU A 20 -3.075 4.598 3.876 1.00 0.00 O ATOM 285 CB LEU A 20 0.036 3.328 3.230 1.00 0.00 C ATOM 286 CG LEU A 20 -0.383 3.594 1.759 1.00 0.00 C ATOM 287 CD1 LEU A 20 -0.285 5.090 1.412 1.00 0.00 C ATOM 288 CD2 LEU A 20 0.440 2.745 0.785 1.00 0.00 C ATOM 0 H LEU A 20 0.528 3.106 5.612 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.680 5.158 4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.087 3.593 3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.045 2.258 3.423 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.427 3.298 1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.585 5.243 0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.943 5.660 2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.743 5.428 1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.123 2.954 -0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.497 2.988 0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.286 1.688 1.004 1.00 0.00 H new ATOM 300 N MET A 21 -2.602 2.466 4.459 1.00 0.00 N ATOM 301 CA MET A 21 -3.967 1.948 4.290 1.00 0.00 C ATOM 302 C MET A 21 -4.934 2.568 5.329 1.00 0.00 C ATOM 303 O MET A 21 -6.144 2.552 5.128 1.00 0.00 O ATOM 304 CB MET A 21 -3.966 0.391 4.332 1.00 0.00 C ATOM 305 CG MET A 21 -3.032 -0.246 3.280 1.00 0.00 C ATOM 306 SD MET A 21 -3.175 -2.041 3.167 1.00 0.00 S ATOM 307 CE MET A 21 -4.767 -2.234 2.368 1.00 0.00 C ATOM 0 H MET A 21 -1.939 1.772 4.803 1.00 0.00 H new ATOM 0 HA MET A 21 -4.335 2.246 3.308 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.662 0.061 5.325 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.982 0.029 4.173 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.250 0.188 2.304 1.00 0.00 H new ATOM 0 HG3 MET A 21 -2.001 0.012 3.520 1.00 0.00 H new ATOM 0 HE1 MET A 21 -5.422 -2.832 3.001 1.00 0.00 H new ATOM 0 HE2 MET A 21 -5.215 -1.253 2.207 1.00 0.00 H new ATOM 0 HE3 MET A 21 -4.634 -2.734 1.409 1.00 0.00 H new ATOM 317 N THR A 22 -4.389 3.125 6.430 1.00 0.00 N ATOM 318 CA THR A 22 -5.170 3.939 7.386 1.00 0.00 C ATOM 319 C THR A 22 -5.501 5.330 6.779 1.00 0.00 C ATOM 320 O THR A 22 -6.652 5.789 6.845 1.00 0.00 O ATOM 321 CB THR A 22 -4.390 4.128 8.726 1.00 0.00 C ATOM 322 OG1 THR A 22 -4.023 2.854 9.260 1.00 0.00 O ATOM 323 CG2 THR A 22 -5.196 4.904 9.785 1.00 0.00 C ATOM 0 H THR A 22 -3.405 3.025 6.680 1.00 0.00 H new ATOM 0 HA THR A 22 -6.099 3.407 7.591 1.00 0.00 H new ATOM 0 HB THR A 22 -3.503 4.717 8.491 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.289 2.477 8.732 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.602 5.003 10.694 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.441 5.894 9.402 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.116 4.364 10.010 1.00 0.00 H new ATOM 331 N GLU A 23 -4.478 5.975 6.177 1.00 0.00 N ATOM 332 CA GLU A 23 -4.566 7.351 5.624 1.00 0.00 C ATOM 333 C GLU A 23 -5.449 7.400 4.363 1.00 0.00 C ATOM 334 O GLU A 23 -6.168 8.375 4.132 1.00 0.00 O ATOM 335 CB GLU A 23 -3.133 7.877 5.325 1.00 0.00 C ATOM 336 CG GLU A 23 -2.272 8.083 6.588 1.00 0.00 C ATOM 337 CD GLU A 23 -0.793 8.381 6.286 1.00 0.00 C ATOM 338 OE1 GLU A 23 -0.478 9.502 5.862 1.00 0.00 O ATOM 339 OE2 GLU A 23 0.063 7.502 6.489 1.00 0.00 O ATOM 0 H GLU A 23 -3.557 5.553 6.058 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.038 7.996 6.365 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.628 7.174 4.663 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.207 8.823 4.788 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.688 8.905 7.170 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.334 7.189 7.209 1.00 0.00 H new ATOM 346 N LEU A 24 -5.396 6.322 3.573 1.00 0.00 N ATOM 347 CA LEU A 24 -6.245 6.144 2.379 1.00 0.00 C ATOM 348 C LEU A 24 -7.671 5.687 2.768 1.00 0.00 C ATOM 349 O LEU A 24 -8.566 5.664 1.915 1.00 0.00 O ATOM 350 CB LEU A 24 -5.629 5.074 1.441 1.00 0.00 C ATOM 351 CG LEU A 24 -4.206 5.340 0.882 1.00 0.00 C ATOM 352 CD1 LEU A 24 -3.720 4.135 0.055 1.00 0.00 C ATOM 353 CD2 LEU A 24 -4.148 6.639 0.058 1.00 0.00 C ATOM 0 H LEU A 24 -4.761 5.542 3.741 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.302 7.107 1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.606 4.127 1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.303 4.942 0.595 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.534 5.471 1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.721 4.337 -0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.693 3.247 0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.402 3.966 -0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.135 6.788 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.838 6.567 -0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.431 7.482 0.688 1.00 0.00 H new ATOM 365 N ASP A 25 -7.832 5.283 4.052 1.00 0.00 N ATOM 366 CA ASP A 25 -9.064 4.646 4.588 1.00 0.00 C ATOM 367 C ASP A 25 -9.329 3.292 3.903 1.00 0.00 C ATOM 368 O ASP A 25 -10.444 2.761 3.916 1.00 0.00 O ATOM 369 CB ASP A 25 -10.288 5.600 4.495 1.00 0.00 C ATOM 370 CG ASP A 25 -10.107 6.866 5.347 1.00 0.00 C ATOM 371 OD1 ASP A 25 -9.497 7.847 4.865 1.00 0.00 O ATOM 372 OD2 ASP A 25 -10.546 6.879 6.515 1.00 0.00 O ATOM 0 H ASP A 25 -7.101 5.391 4.755 1.00 0.00 H new ATOM 0 HA ASP A 25 -8.904 4.446 5.648 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.446 5.884 3.455 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.184 5.071 4.820 1.00 0.00 H new ATOM 377 N CYS A 26 -8.243 2.703 3.394 1.00 0.00 N ATOM 378 CA CYS A 26 -8.227 1.425 2.667 1.00 0.00 C ATOM 379 C CYS A 26 -8.047 0.253 3.641 1.00 0.00 C ATOM 380 O CYS A 26 -7.319 -0.694 3.373 1.00 0.00 O ATOM 381 CB CYS A 26 -7.107 1.467 1.611 1.00 0.00 C ATOM 382 SG CYS A 26 -7.438 2.633 0.281 1.00 0.00 S ATOM 0 H CYS A 26 -7.315 3.117 3.479 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.180 1.273 2.160 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -6.168 1.734 2.096 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -6.976 0.471 1.189 1.00 0.00 H new ATOM 0 HG CYS A 26 -6.453 2.615 -0.567 1.00 0.00 H new ATOM 388 N THR A 27 -8.732 0.344 4.778 1.00 0.00 N ATOM 389 CA THR A 27 -8.676 -0.648 5.863 1.00 0.00 C ATOM 390 C THR A 27 -10.108 -0.886 6.422 1.00 0.00 C ATOM 391 O THR A 27 -10.291 -1.310 7.568 1.00 0.00 O ATOM 392 CB THR A 27 -7.671 -0.139 6.962 1.00 0.00 C ATOM 393 OG1 THR A 27 -7.564 -1.076 8.037 1.00 0.00 O ATOM 394 CG2 THR A 27 -8.072 1.242 7.513 1.00 0.00 C ATOM 0 H THR A 27 -9.357 1.124 4.981 1.00 0.00 H new ATOM 0 HA THR A 27 -8.312 -1.609 5.499 1.00 0.00 H new ATOM 0 HB THR A 27 -6.700 -0.042 6.477 1.00 0.00 H new ATOM 0 HG1 THR A 27 -8.410 -1.561 8.134 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.352 1.555 8.269 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.085 1.968 6.700 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.064 1.181 7.961 1.00 0.00 H new ATOM 402 N ASP A 28 -11.119 -0.634 5.565 1.00 0.00 N ATOM 403 CA ASP A 28 -12.550 -0.790 5.909 1.00 0.00 C ATOM 404 C ASP A 28 -13.019 -2.225 5.590 1.00 0.00 C ATOM 405 O ASP A 28 -13.492 -2.508 4.484 1.00 0.00 O ATOM 406 CB ASP A 28 -13.404 0.253 5.131 1.00 0.00 C ATOM 407 CG ASP A 28 -14.903 0.207 5.483 1.00 0.00 C ATOM 408 OD1 ASP A 28 -15.247 0.453 6.656 1.00 0.00 O ATOM 409 OD2 ASP A 28 -15.744 -0.091 4.598 1.00 0.00 O ATOM 0 H ASP A 28 -10.966 -0.314 4.609 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.680 -0.614 6.977 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -13.021 1.252 5.339 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -13.285 0.082 4.061 1.00 0.00 H new ATOM 414 N GLY A 29 -12.808 -3.139 6.551 1.00 0.00 N ATOM 415 CA GLY A 29 -13.234 -4.538 6.422 1.00 0.00 C ATOM 416 C GLY A 29 -12.501 -5.302 5.317 1.00 0.00 C ATOM 417 O GLY A 29 -11.347 -5.697 5.505 1.00 0.00 O ATOM 0 H GLY A 29 -12.340 -2.929 7.433 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.073 -5.047 7.372 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -14.305 -4.566 6.223 1.00 0.00 H new ATOM 421 N HIS A 30 -13.179 -5.487 4.159 1.00 0.00 N ATOM 422 CA HIS A 30 -12.652 -6.250 3.006 1.00 0.00 C ATOM 423 C HIS A 30 -11.594 -5.431 2.235 1.00 0.00 C ATOM 424 O HIS A 30 -11.892 -4.839 1.194 1.00 0.00 O ATOM 425 CB HIS A 30 -13.805 -6.682 2.038 1.00 0.00 C ATOM 426 CG HIS A 30 -14.672 -7.818 2.520 1.00 0.00 C ATOM 427 ND1 HIS A 30 -16.015 -7.683 2.791 1.00 0.00 N ATOM 428 CD2 HIS A 30 -14.386 -9.126 2.720 1.00 0.00 C ATOM 429 CE1 HIS A 30 -16.515 -8.853 3.133 1.00 0.00 C ATOM 430 NE2 HIS A 30 -15.546 -9.751 3.097 1.00 0.00 N ATOM 0 H HIS A 30 -14.112 -5.108 3.999 1.00 0.00 H new ATOM 0 HA HIS A 30 -12.177 -7.148 3.400 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -14.442 -5.817 1.852 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -13.365 -6.965 1.082 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -13.419 -9.592 2.604 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -17.544 -9.046 3.398 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -15.645 -10.743 3.313 1.00 0.00 H new ATOM 439 N TYR A 31 -10.366 -5.362 2.771 1.00 0.00 N ATOM 440 CA TYR A 31 -9.221 -4.715 2.099 1.00 0.00 C ATOM 441 C TYR A 31 -7.938 -5.523 2.342 1.00 0.00 C ATOM 442 O TYR A 31 -7.697 -6.004 3.447 1.00 0.00 O ATOM 443 CB TYR A 31 -9.028 -3.256 2.604 1.00 0.00 C ATOM 444 CG TYR A 31 -9.907 -2.194 1.913 1.00 0.00 C ATOM 445 CD1 TYR A 31 -9.503 -1.612 0.713 1.00 0.00 C ATOM 446 CD2 TYR A 31 -11.106 -1.754 2.468 1.00 0.00 C ATOM 447 CE1 TYR A 31 -10.254 -0.631 0.103 1.00 0.00 C ATOM 448 CE2 TYR A 31 -11.866 -0.777 1.857 1.00 0.00 C ATOM 449 CZ TYR A 31 -11.435 -0.221 0.672 1.00 0.00 C ATOM 450 OH TYR A 31 -12.181 0.761 0.057 1.00 0.00 O ATOM 0 H TYR A 31 -10.135 -5.753 3.684 1.00 0.00 H new ATOM 0 HA TYR A 31 -9.431 -4.685 1.030 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.231 -3.230 3.675 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -7.982 -2.979 2.472 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -8.582 -1.937 0.252 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -11.449 -2.186 3.396 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -9.915 -0.185 -0.820 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.793 -0.450 2.305 1.00 0.00 H new ATOM 0 HH TYR A 31 -12.988 0.937 0.584 1.00 0.00 H new ATOM 460 N ALA A 32 -7.116 -5.631 1.294 1.00 0.00 N ATOM 461 CA ALA A 32 -5.790 -6.255 1.324 1.00 0.00 C ATOM 462 C ALA A 32 -4.826 -5.391 0.493 1.00 0.00 C ATOM 463 O ALA A 32 -5.243 -4.376 -0.079 1.00 0.00 O ATOM 464 CB ALA A 32 -5.884 -7.684 0.770 1.00 0.00 C ATOM 0 H ALA A 32 -7.364 -5.275 0.371 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.414 -6.318 2.345 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.898 -8.148 0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.573 -8.267 1.381 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.247 -7.653 -0.257 1.00 0.00 H new ATOM 470 N VAL A 33 -3.542 -5.770 0.428 1.00 0.00 N ATOM 471 CA VAL A 33 -2.535 -5.031 -0.357 1.00 0.00 C ATOM 472 C VAL A 33 -1.610 -6.001 -1.111 1.00 0.00 C ATOM 473 O VAL A 33 -1.337 -7.111 -0.651 1.00 0.00 O ATOM 474 CB VAL A 33 -1.682 -4.077 0.560 1.00 0.00 C ATOM 475 CG1 VAL A 33 -0.796 -4.874 1.542 1.00 0.00 C ATOM 476 CG2 VAL A 33 -0.832 -3.074 -0.265 1.00 0.00 C ATOM 0 H VAL A 33 -3.172 -6.588 0.911 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.071 -4.420 -1.083 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.392 -3.494 1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.222 -4.182 2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.426 -5.492 2.181 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.113 -5.512 0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.262 -2.438 0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.147 -3.623 -0.911 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.490 -2.456 -0.876 1.00 0.00 H new ATOM 486 N ALA A 34 -1.145 -5.556 -2.276 1.00 0.00 N ATOM 487 CA ALA A 34 -0.146 -6.228 -3.089 1.00 0.00 C ATOM 488 C ALA A 34 0.934 -5.208 -3.451 1.00 0.00 C ATOM 489 O ALA A 34 0.716 -4.326 -4.289 1.00 0.00 O ATOM 490 CB ALA A 34 -0.796 -6.851 -4.339 1.00 0.00 C ATOM 0 H ALA A 34 -1.469 -4.683 -2.692 1.00 0.00 H new ATOM 0 HA ALA A 34 0.310 -7.049 -2.536 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.032 -7.350 -4.936 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.550 -7.577 -4.034 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.266 -6.068 -4.933 1.00 0.00 H new ATOM 496 N LEU A 35 2.095 -5.319 -2.804 1.00 0.00 N ATOM 497 CA LEU A 35 3.221 -4.423 -3.043 1.00 0.00 C ATOM 498 C LEU A 35 4.021 -5.002 -4.212 1.00 0.00 C ATOM 499 O LEU A 35 4.679 -6.027 -4.063 1.00 0.00 O ATOM 500 CB LEU A 35 4.103 -4.287 -1.775 1.00 0.00 C ATOM 501 CG LEU A 35 5.349 -3.347 -1.900 1.00 0.00 C ATOM 502 CD1 LEU A 35 4.937 -1.889 -2.162 1.00 0.00 C ATOM 503 CD2 LEU A 35 6.257 -3.449 -0.666 1.00 0.00 C ATOM 0 H LEU A 35 2.279 -6.034 -2.100 1.00 0.00 H new ATOM 0 HA LEU A 35 2.867 -3.421 -3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.478 -3.922 -0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.450 -5.280 -1.490 1.00 0.00 H new ATOM 0 HG LEU A 35 5.921 -3.688 -2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.829 -1.268 -2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.370 -1.832 -3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.319 -1.532 -1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.112 -2.783 -0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.696 -3.161 0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.609 -4.475 -0.557 1.00 0.00 H new ATOM 515 N ASN A 36 3.887 -4.353 -5.382 1.00 0.00 N ATOM 516 CA ASN A 36 4.514 -4.759 -6.663 1.00 0.00 C ATOM 517 C ASN A 36 4.149 -6.222 -7.012 1.00 0.00 C ATOM 518 O ASN A 36 5.029 -7.065 -7.204 1.00 0.00 O ATOM 519 CB ASN A 36 6.051 -4.519 -6.633 1.00 0.00 C ATOM 520 CG ASN A 36 6.411 -3.089 -6.205 1.00 0.00 C ATOM 521 OD1 ASN A 36 6.355 -2.164 -6.997 1.00 0.00 O ATOM 522 ND2 ASN A 36 6.792 -2.898 -4.946 1.00 0.00 N ATOM 0 H ASN A 36 3.324 -3.507 -5.470 1.00 0.00 H new ATOM 0 HA ASN A 36 4.115 -4.132 -7.460 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.514 -5.228 -5.947 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.466 -4.715 -7.622 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.045 -1.963 -4.626 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.832 -3.686 -4.300 1.00 0.00 H new ATOM 529 N TYR A 37 2.818 -6.500 -7.006 1.00 0.00 N ATOM 530 CA TYR A 37 2.203 -7.838 -7.270 1.00 0.00 C ATOM 531 C TYR A 37 2.351 -8.840 -6.089 1.00 0.00 C ATOM 532 O TYR A 37 1.627 -9.845 -6.036 1.00 0.00 O ATOM 533 CB TYR A 37 2.716 -8.487 -8.598 1.00 0.00 C ATOM 534 CG TYR A 37 2.395 -7.691 -9.876 1.00 0.00 C ATOM 535 CD1 TYR A 37 1.157 -7.819 -10.512 1.00 0.00 C ATOM 536 CD2 TYR A 37 3.330 -6.818 -10.445 1.00 0.00 C ATOM 537 CE1 TYR A 37 0.870 -7.111 -11.662 1.00 0.00 C ATOM 538 CE2 TYR A 37 3.042 -6.115 -11.594 1.00 0.00 C ATOM 539 CZ TYR A 37 1.813 -6.263 -12.199 1.00 0.00 C ATOM 540 OH TYR A 37 1.521 -5.563 -13.349 1.00 0.00 O ATOM 0 H TYR A 37 2.120 -5.782 -6.812 1.00 0.00 H new ATOM 0 HA TYR A 37 1.139 -7.628 -7.381 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.796 -8.615 -8.529 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.283 -9.483 -8.689 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.413 -8.483 -10.097 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.294 -6.694 -9.975 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.092 -7.222 -12.140 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.778 -5.449 -12.020 1.00 0.00 H new ATOM 0 HH TYR A 37 2.289 -5.008 -13.598 1.00 0.00 H new ATOM 550 N ASP A 38 3.266 -8.565 -5.146 1.00 0.00 N ATOM 551 CA ASP A 38 3.520 -9.445 -3.991 1.00 0.00 C ATOM 552 C ASP A 38 2.585 -9.046 -2.838 1.00 0.00 C ATOM 553 O ASP A 38 2.768 -7.987 -2.227 1.00 0.00 O ATOM 554 CB ASP A 38 5.008 -9.350 -3.565 1.00 0.00 C ATOM 555 CG ASP A 38 5.330 -10.164 -2.295 1.00 0.00 C ATOM 556 OD1 ASP A 38 5.475 -11.402 -2.389 1.00 0.00 O ATOM 557 OD2 ASP A 38 5.429 -9.578 -1.201 1.00 0.00 O ATOM 0 H ASP A 38 3.850 -7.729 -5.161 1.00 0.00 H new ATOM 0 HA ASP A 38 3.318 -10.481 -4.263 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.637 -9.702 -4.383 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.264 -8.304 -3.393 1.00 0.00 H new ATOM 562 N VAL A 39 1.579 -9.893 -2.573 1.00 0.00 N ATOM 563 CA VAL A 39 0.545 -9.630 -1.559 1.00 0.00 C ATOM 564 C VAL A 39 1.137 -9.713 -0.135 1.00 0.00 C ATOM 565 O VAL A 39 1.615 -10.770 0.293 1.00 0.00 O ATOM 566 CB VAL A 39 -0.676 -10.610 -1.719 1.00 0.00 C ATOM 567 CG1 VAL A 39 -1.766 -10.358 -0.647 1.00 0.00 C ATOM 568 CG2 VAL A 39 -1.280 -10.490 -3.137 1.00 0.00 C ATOM 0 H VAL A 39 1.459 -10.783 -3.057 1.00 0.00 H new ATOM 0 HA VAL A 39 0.177 -8.616 -1.715 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.302 -11.624 -1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.590 -11.056 -0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.340 -10.504 0.346 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.135 -9.336 -0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.123 -11.174 -3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.621 -9.468 -3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.522 -10.743 -3.878 1.00 0.00 H new ATOM 578 N VAL A 40 1.090 -8.580 0.580 1.00 0.00 N ATOM 579 CA VAL A 40 1.666 -8.436 1.931 1.00 0.00 C ATOM 580 C VAL A 40 0.567 -8.679 2.976 1.00 0.00 C ATOM 581 O VAL A 40 -0.424 -7.950 2.968 1.00 0.00 O ATOM 582 CB VAL A 40 2.293 -7.000 2.136 1.00 0.00 C ATOM 583 CG1 VAL A 40 2.916 -6.842 3.550 1.00 0.00 C ATOM 584 CG2 VAL A 40 3.331 -6.689 1.034 1.00 0.00 C ATOM 0 H VAL A 40 0.647 -7.728 0.236 1.00 0.00 H new ATOM 0 HA VAL A 40 2.463 -9.170 2.049 1.00 0.00 H new ATOM 0 HB VAL A 40 1.483 -6.275 2.055 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.337 -5.842 3.653 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.145 -6.991 4.306 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.704 -7.583 3.685 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.748 -5.695 1.197 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.131 -7.429 1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.847 -6.724 0.058 1.00 0.00 H new ATOM 594 N PRO A 41 0.701 -9.708 3.879 1.00 0.00 N ATOM 595 CA PRO A 41 -0.288 -9.952 4.962 1.00 0.00 C ATOM 596 C PRO A 41 -0.306 -8.809 6.004 1.00 0.00 C ATOM 597 O PRO A 41 0.700 -8.113 6.184 1.00 0.00 O ATOM 598 CB PRO A 41 0.178 -11.294 5.584 1.00 0.00 C ATOM 599 CG PRO A 41 1.642 -11.379 5.258 1.00 0.00 C ATOM 600 CD PRO A 41 1.802 -10.708 3.907 1.00 0.00 C ATOM 0 HA PRO A 41 -1.312 -9.992 4.590 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.011 -11.310 6.661 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.371 -12.137 5.164 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.242 -10.878 6.018 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.975 -12.416 5.222 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.778 -10.232 3.809 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.713 -11.425 3.091 1.00 0.00 H new ATOM 608 N ARG A 42 -1.461 -8.647 6.685 1.00 0.00 N ATOM 609 CA ARG A 42 -1.721 -7.533 7.624 1.00 0.00 C ATOM 610 C ARG A 42 -0.714 -7.505 8.779 1.00 0.00 C ATOM 611 O ARG A 42 -0.282 -6.430 9.215 1.00 0.00 O ATOM 612 CB ARG A 42 -3.182 -7.573 8.158 1.00 0.00 C ATOM 613 CG ARG A 42 -3.568 -6.355 9.034 1.00 0.00 C ATOM 614 CD ARG A 42 -5.044 -6.355 9.443 1.00 0.00 C ATOM 615 NE ARG A 42 -5.413 -7.528 10.251 1.00 0.00 N ATOM 616 CZ ARG A 42 -6.633 -8.091 10.277 1.00 0.00 C ATOM 617 NH1 ARG A 42 -7.634 -7.602 9.541 1.00 0.00 N ATOM 618 NH2 ARG A 42 -6.851 -9.132 11.059 1.00 0.00 N ATOM 0 H ARG A 42 -2.247 -9.292 6.598 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.592 -6.608 7.062 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.866 -7.629 7.311 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.320 -8.484 8.740 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -2.948 -6.349 9.931 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.348 -5.438 8.488 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.259 -5.448 10.008 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.664 -6.327 8.547 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.688 -7.945 10.835 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.479 -6.788 8.946 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.553 -8.043 9.574 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.097 -9.503 11.637 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.774 -9.566 11.085 1.00 0.00 H new ATOM 632 N GLY A 43 -0.278 -8.703 9.201 1.00 0.00 N ATOM 633 CA GLY A 43 0.721 -8.853 10.259 1.00 0.00 C ATOM 634 C GLY A 43 2.119 -8.351 9.873 1.00 0.00 C ATOM 635 O GLY A 43 3.053 -8.482 10.669 1.00 0.00 O ATOM 0 H GLY A 43 -0.609 -9.588 8.817 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.383 -8.312 11.143 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.787 -9.905 10.535 1.00 0.00 H new ATOM 639 N LYS A 44 2.267 -7.813 8.640 1.00 0.00 N ATOM 640 CA LYS A 44 3.534 -7.247 8.137 1.00 0.00 C ATOM 641 C LYS A 44 3.359 -5.823 7.584 1.00 0.00 C ATOM 642 O LYS A 44 4.364 -5.192 7.299 1.00 0.00 O ATOM 643 CB LYS A 44 4.140 -8.146 7.029 1.00 0.00 C ATOM 644 CG LYS A 44 4.507 -9.567 7.496 1.00 0.00 C ATOM 645 CD LYS A 44 5.280 -10.351 6.423 1.00 0.00 C ATOM 646 CE LYS A 44 5.648 -11.770 6.883 1.00 0.00 C ATOM 647 NZ LYS A 44 6.461 -11.761 8.130 1.00 0.00 N ATOM 0 H LYS A 44 1.504 -7.761 7.965 1.00 0.00 H new ATOM 0 HA LYS A 44 4.210 -7.204 8.991 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.428 -8.219 6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.034 -7.663 6.635 1.00 0.00 H new ATOM 0 HG2 LYS A 44 5.109 -9.505 8.402 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.597 -10.109 7.754 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.677 -10.411 5.517 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.190 -9.808 6.166 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.737 -12.345 7.049 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.203 -12.274 6.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.829 -12.717 8.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.256 -11.099 8.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.867 -11.461 8.929 1.00 0.00 H new ATOM 661 N TRP A 45 2.103 -5.327 7.421 1.00 0.00 N ATOM 662 CA TRP A 45 1.829 -3.968 6.846 1.00 0.00 C ATOM 663 C TRP A 45 2.684 -2.874 7.531 1.00 0.00 C ATOM 664 O TRP A 45 3.257 -1.995 6.872 1.00 0.00 O ATOM 665 CB TRP A 45 0.318 -3.583 6.954 1.00 0.00 C ATOM 666 CG TRP A 45 -0.632 -4.333 6.044 1.00 0.00 C ATOM 667 CD1 TRP A 45 -0.327 -5.313 5.150 1.00 0.00 C ATOM 668 CD2 TRP A 45 -2.056 -4.128 5.934 1.00 0.00 C ATOM 669 NE1 TRP A 45 -1.469 -5.765 4.535 1.00 0.00 N ATOM 670 CE2 TRP A 45 -2.538 -5.045 4.987 1.00 0.00 C ATOM 671 CE3 TRP A 45 -2.966 -3.272 6.557 1.00 0.00 C ATOM 672 CZ2 TRP A 45 -3.884 -5.125 4.642 1.00 0.00 C ATOM 673 CZ3 TRP A 45 -4.305 -3.346 6.216 1.00 0.00 C ATOM 674 CH2 TRP A 45 -4.756 -4.276 5.268 1.00 0.00 C ATOM 0 H TRP A 45 1.261 -5.842 7.677 1.00 0.00 H new ATOM 0 HA TRP A 45 2.102 -4.024 5.792 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.002 -3.738 7.985 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.221 -2.517 6.747 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.669 -5.682 4.953 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.512 -6.519 3.849 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -2.629 -2.561 7.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.229 -5.834 3.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -5.012 -2.679 6.686 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -5.808 -4.323 5.028 1.00 0.00 H new ATOM 685 N ASP A 46 2.778 -2.982 8.856 1.00 0.00 N ATOM 686 CA ASP A 46 3.577 -2.080 9.704 1.00 0.00 C ATOM 687 C ASP A 46 5.092 -2.264 9.452 1.00 0.00 C ATOM 688 O ASP A 46 5.834 -1.280 9.338 1.00 0.00 O ATOM 689 CB ASP A 46 3.214 -2.312 11.201 1.00 0.00 C ATOM 690 CG ASP A 46 3.469 -3.758 11.676 1.00 0.00 C ATOM 691 OD1 ASP A 46 2.852 -4.695 11.130 1.00 0.00 O ATOM 692 OD2 ASP A 46 4.285 -3.969 12.595 1.00 0.00 O ATOM 0 H ASP A 46 2.295 -3.709 9.385 1.00 0.00 H new ATOM 0 HA ASP A 46 3.338 -1.049 9.443 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.795 -1.627 11.818 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.163 -2.067 11.355 1.00 0.00 H new ATOM 697 N GLU A 47 5.521 -3.531 9.314 1.00 0.00 N ATOM 698 CA GLU A 47 6.940 -3.902 9.110 1.00 0.00 C ATOM 699 C GLU A 47 7.417 -3.583 7.672 1.00 0.00 C ATOM 700 O GLU A 47 8.627 -3.492 7.417 1.00 0.00 O ATOM 701 CB GLU A 47 7.121 -5.413 9.385 1.00 0.00 C ATOM 702 CG GLU A 47 6.608 -5.888 10.752 1.00 0.00 C ATOM 703 CD GLU A 47 6.827 -7.394 10.956 1.00 0.00 C ATOM 704 OE1 GLU A 47 6.051 -8.193 10.409 1.00 0.00 O ATOM 705 OE2 GLU A 47 7.797 -7.789 11.634 1.00 0.00 O ATOM 0 H GLU A 47 4.892 -4.334 9.340 1.00 0.00 H new ATOM 0 HA GLU A 47 7.542 -3.314 9.803 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.606 -5.974 8.605 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.180 -5.657 9.306 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.118 -5.337 11.542 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.546 -5.661 10.840 1.00 0.00 H new ATOM 712 N THR A 48 6.460 -3.417 6.746 1.00 0.00 N ATOM 713 CA THR A 48 6.744 -3.206 5.324 1.00 0.00 C ATOM 714 C THR A 48 6.726 -1.690 5.028 1.00 0.00 C ATOM 715 O THR A 48 5.681 -1.051 5.203 1.00 0.00 O ATOM 716 CB THR A 48 5.699 -3.953 4.427 1.00 0.00 C ATOM 717 OG1 THR A 48 5.607 -5.321 4.849 1.00 0.00 O ATOM 718 CG2 THR A 48 6.077 -3.910 2.934 1.00 0.00 C ATOM 0 H THR A 48 5.464 -3.426 6.967 1.00 0.00 H new ATOM 0 HA THR A 48 7.728 -3.613 5.091 1.00 0.00 H new ATOM 0 HB THR A 48 4.741 -3.446 4.543 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.075 -5.375 5.670 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.323 -4.441 2.352 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.128 -2.873 2.601 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.047 -4.386 2.790 1.00 0.00 H new ATOM 726 N PRO A 49 7.888 -1.078 4.627 1.00 0.00 N ATOM 727 CA PRO A 49 7.953 0.360 4.293 1.00 0.00 C ATOM 728 C PRO A 49 7.353 0.681 2.906 1.00 0.00 C ATOM 729 O PRO A 49 7.013 -0.220 2.130 1.00 0.00 O ATOM 730 CB PRO A 49 9.471 0.663 4.363 1.00 0.00 C ATOM 731 CG PRO A 49 10.134 -0.626 3.982 1.00 0.00 C ATOM 732 CD PRO A 49 9.227 -1.731 4.493 1.00 0.00 C ATOM 0 HA PRO A 49 7.361 0.976 4.970 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.746 1.467 3.680 1.00 0.00 H new ATOM 0 HB3 PRO A 49 9.766 0.979 5.363 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.262 -0.695 2.902 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.127 -0.700 4.426 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.192 -2.570 3.798 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.576 -2.122 5.449 1.00 0.00 H new ATOM 740 N VAL A 50 7.192 1.985 2.639 1.00 0.00 N ATOM 741 CA VAL A 50 6.704 2.528 1.357 1.00 0.00 C ATOM 742 C VAL A 50 7.745 3.527 0.822 1.00 0.00 C ATOM 743 O VAL A 50 7.895 4.636 1.354 1.00 0.00 O ATOM 744 CB VAL A 50 5.287 3.207 1.536 1.00 0.00 C ATOM 745 CG1 VAL A 50 4.873 4.051 0.304 1.00 0.00 C ATOM 746 CG2 VAL A 50 4.207 2.142 1.844 1.00 0.00 C ATOM 0 H VAL A 50 7.402 2.712 3.323 1.00 0.00 H new ATOM 0 HA VAL A 50 6.578 1.720 0.636 1.00 0.00 H new ATOM 0 HB VAL A 50 5.369 3.890 2.382 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.893 4.495 0.480 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.605 4.842 0.142 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.829 3.411 -0.577 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.239 2.629 1.964 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.155 1.428 1.022 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.465 1.617 2.764 1.00 0.00 H new ATOM 756 N THR A 51 8.502 3.100 -0.195 1.00 0.00 N ATOM 757 CA THR A 51 9.557 3.899 -0.829 1.00 0.00 C ATOM 758 C THR A 51 9.038 4.562 -2.110 1.00 0.00 C ATOM 759 O THR A 51 7.975 4.198 -2.623 1.00 0.00 O ATOM 760 CB THR A 51 10.799 3.001 -1.164 1.00 0.00 C ATOM 761 OG1 THR A 51 10.423 1.947 -2.066 1.00 0.00 O ATOM 762 CG2 THR A 51 11.403 2.379 0.105 1.00 0.00 C ATOM 0 H THR A 51 8.397 2.173 -0.608 1.00 0.00 H new ATOM 0 HA THR A 51 9.859 4.677 -0.128 1.00 0.00 H new ATOM 0 HB THR A 51 11.547 3.642 -1.630 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.207 1.395 -2.268 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.261 1.763 -0.165 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.723 3.171 0.782 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.654 1.760 0.599 1.00 0.00 H new ATOM 770 N ALA A 52 9.816 5.527 -2.617 1.00 0.00 N ATOM 771 CA ALA A 52 9.475 6.306 -3.813 1.00 0.00 C ATOM 772 C ALA A 52 9.408 5.426 -5.075 1.00 0.00 C ATOM 773 O ALA A 52 10.413 4.827 -5.472 1.00 0.00 O ATOM 774 CB ALA A 52 10.491 7.456 -3.989 1.00 0.00 C ATOM 0 H ALA A 52 10.710 5.791 -2.203 1.00 0.00 H new ATOM 0 HA ALA A 52 8.479 6.727 -3.674 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.236 8.034 -4.878 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.461 8.105 -3.114 1.00 0.00 H new ATOM 0 HB3 ALA A 52 11.493 7.042 -4.100 1.00 0.00 H new ATOM 780 N GLY A 53 8.207 5.343 -5.670 1.00 0.00 N ATOM 781 CA GLY A 53 8.007 4.672 -6.955 1.00 0.00 C ATOM 782 C GLY A 53 7.493 3.240 -6.847 1.00 0.00 C ATOM 783 O GLY A 53 7.622 2.476 -7.811 1.00 0.00 O ATOM 0 H GLY A 53 7.355 5.738 -5.273 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.302 5.254 -7.549 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.952 4.666 -7.498 1.00 0.00 H new ATOM 787 N ASP A 54 6.917 2.859 -5.688 1.00 0.00 N ATOM 788 CA ASP A 54 6.255 1.534 -5.537 1.00 0.00 C ATOM 789 C ASP A 54 4.902 1.486 -6.260 1.00 0.00 C ATOM 790 O ASP A 54 4.133 2.449 -6.216 1.00 0.00 O ATOM 791 CB ASP A 54 6.017 1.190 -4.046 1.00 0.00 C ATOM 792 CG ASP A 54 7.294 0.911 -3.251 1.00 0.00 C ATOM 793 OD1 ASP A 54 8.246 0.337 -3.808 1.00 0.00 O ATOM 794 OD2 ASP A 54 7.336 1.231 -2.053 1.00 0.00 O ATOM 0 H ASP A 54 6.893 3.438 -4.849 1.00 0.00 H new ATOM 0 HA ASP A 54 6.931 0.805 -5.984 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.484 2.016 -3.576 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.368 0.316 -3.986 1.00 0.00 H new ATOM 799 N GLU A 55 4.611 0.341 -6.898 1.00 0.00 N ATOM 800 CA GLU A 55 3.268 0.033 -7.403 1.00 0.00 C ATOM 801 C GLU A 55 2.489 -0.693 -6.288 1.00 0.00 C ATOM 802 O GLU A 55 2.590 -1.906 -6.133 1.00 0.00 O ATOM 803 CB GLU A 55 3.316 -0.823 -8.697 1.00 0.00 C ATOM 804 CG GLU A 55 1.919 -1.187 -9.253 1.00 0.00 C ATOM 805 CD GLU A 55 1.969 -2.088 -10.490 1.00 0.00 C ATOM 806 OE1 GLU A 55 2.179 -3.303 -10.338 1.00 0.00 O ATOM 807 OE2 GLU A 55 1.783 -1.589 -11.619 1.00 0.00 O ATOM 0 H GLU A 55 5.297 -0.392 -7.076 1.00 0.00 H new ATOM 0 HA GLU A 55 2.764 0.962 -7.670 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.871 -0.279 -9.461 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.867 -1.741 -8.495 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.345 -1.687 -8.473 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.386 -0.270 -9.503 1.00 0.00 H new ATOM 814 N ILE A 56 1.754 0.076 -5.485 1.00 0.00 N ATOM 815 CA ILE A 56 0.990 -0.434 -4.343 1.00 0.00 C ATOM 816 C ILE A 56 -0.470 -0.671 -4.756 1.00 0.00 C ATOM 817 O ILE A 56 -1.269 0.264 -4.841 1.00 0.00 O ATOM 818 CB ILE A 56 1.076 0.578 -3.145 1.00 0.00 C ATOM 819 CG1 ILE A 56 2.569 0.855 -2.800 1.00 0.00 C ATOM 820 CG2 ILE A 56 0.300 0.063 -1.910 1.00 0.00 C ATOM 821 CD1 ILE A 56 2.819 1.912 -1.751 1.00 0.00 C ATOM 0 H ILE A 56 1.670 1.085 -5.610 1.00 0.00 H new ATOM 0 HA ILE A 56 1.415 -1.384 -4.019 1.00 0.00 H new ATOM 0 HB ILE A 56 0.605 1.514 -3.446 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.023 -0.077 -2.464 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.084 1.149 -3.714 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.381 0.789 -1.101 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.749 -0.074 -2.171 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.721 -0.889 -1.587 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.892 2.020 -1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.404 2.863 -2.086 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.342 1.617 -0.816 1.00 0.00 H new ATOM 833 N GLU A 57 -0.806 -1.931 -5.016 1.00 0.00 N ATOM 834 CA GLU A 57 -2.155 -2.340 -5.415 1.00 0.00 C ATOM 835 C GLU A 57 -2.975 -2.646 -4.160 1.00 0.00 C ATOM 836 O GLU A 57 -2.782 -3.672 -3.520 1.00 0.00 O ATOM 837 CB GLU A 57 -2.080 -3.582 -6.346 1.00 0.00 C ATOM 838 CG GLU A 57 -3.425 -4.292 -6.597 1.00 0.00 C ATOM 839 CD GLU A 57 -3.313 -5.483 -7.551 1.00 0.00 C ATOM 840 OE1 GLU A 57 -2.774 -6.533 -7.150 1.00 0.00 O ATOM 841 OE2 GLU A 57 -3.749 -5.379 -8.713 1.00 0.00 O ATOM 0 H GLU A 57 -0.146 -2.706 -4.956 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.639 -1.535 -5.967 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.665 -3.273 -7.305 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.383 -4.300 -5.913 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.830 -4.635 -5.645 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.136 -3.574 -7.006 1.00 0.00 H new ATOM 848 N ILE A 58 -3.877 -1.734 -3.796 1.00 0.00 N ATOM 849 CA ILE A 58 -4.799 -1.949 -2.683 1.00 0.00 C ATOM 850 C ILE A 58 -5.924 -2.861 -3.191 1.00 0.00 C ATOM 851 O ILE A 58 -6.749 -2.445 -4.002 1.00 0.00 O ATOM 852 CB ILE A 58 -5.416 -0.615 -2.133 1.00 0.00 C ATOM 853 CG1 ILE A 58 -4.304 0.380 -1.662 1.00 0.00 C ATOM 854 CG2 ILE A 58 -6.430 -0.902 -1.000 1.00 0.00 C ATOM 855 CD1 ILE A 58 -3.414 -0.113 -0.537 1.00 0.00 C ATOM 0 H ILE A 58 -3.988 -0.833 -4.261 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.248 -2.398 -1.857 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.954 -0.136 -2.951 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.675 0.624 -2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.782 1.306 -1.343 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.844 0.038 -0.635 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.235 -1.529 -1.383 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.926 -1.418 -0.183 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.680 0.654 -0.291 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.023 -0.328 0.341 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.898 -1.020 -0.852 1.00 0.00 H new ATOM 867 N LEU A 59 -5.904 -4.112 -2.760 1.00 0.00 N ATOM 868 CA LEU A 59 -6.935 -5.089 -3.090 1.00 0.00 C ATOM 869 C LEU A 59 -8.225 -4.797 -2.307 1.00 0.00 C ATOM 870 O LEU A 59 -8.176 -4.363 -1.156 1.00 0.00 O ATOM 871 CB LEU A 59 -6.383 -6.502 -2.782 1.00 0.00 C ATOM 872 CG LEU A 59 -5.191 -6.943 -3.689 1.00 0.00 C ATOM 873 CD1 LEU A 59 -4.447 -8.158 -3.120 1.00 0.00 C ATOM 874 CD2 LEU A 59 -5.684 -7.215 -5.121 1.00 0.00 C ATOM 0 H LEU A 59 -5.164 -4.484 -2.164 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.189 -5.029 -4.148 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.062 -6.534 -1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.191 -7.225 -2.889 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.475 -6.122 -3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.627 -8.427 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.049 -7.913 -2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.135 -8.999 -3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.843 -7.522 -5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.431 -8.008 -5.104 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.127 -6.308 -5.532 1.00 0.00 H new ATOM 886 N THR A 60 -9.373 -4.991 -2.965 1.00 0.00 N ATOM 887 CA THR A 60 -10.697 -4.947 -2.324 1.00 0.00 C ATOM 888 C THR A 60 -11.389 -6.324 -2.486 1.00 0.00 C ATOM 889 O THR A 60 -12.383 -6.440 -3.220 1.00 0.00 O ATOM 890 CB THR A 60 -11.582 -3.802 -2.949 1.00 0.00 C ATOM 891 OG1 THR A 60 -11.792 -4.033 -4.355 1.00 0.00 O ATOM 892 CG2 THR A 60 -10.939 -2.422 -2.769 1.00 0.00 C ATOM 0 H THR A 60 -9.413 -5.185 -3.966 1.00 0.00 H new ATOM 0 HA THR A 60 -10.574 -4.729 -1.263 1.00 0.00 H new ATOM 0 HB THR A 60 -12.536 -3.817 -2.421 1.00 0.00 H new ATOM 0 HG1 THR A 60 -12.122 -4.946 -4.491 1.00 0.00 H new ATOM 0 HG21 THR A 60 -11.580 -1.661 -3.213 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.813 -2.215 -1.706 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.966 -2.407 -3.259 1.00 0.00 H new ATOM 900 N PRO A 61 -10.877 -7.420 -1.824 1.00 0.00 N ATOM 901 CA PRO A 61 -11.397 -8.779 -2.061 1.00 0.00 C ATOM 902 C PRO A 61 -12.839 -8.901 -1.518 1.00 0.00 C ATOM 903 O PRO A 61 -13.057 -8.772 -0.311 1.00 0.00 O ATOM 904 CB PRO A 61 -10.397 -9.710 -1.307 1.00 0.00 C ATOM 905 CG PRO A 61 -9.235 -8.819 -0.949 1.00 0.00 C ATOM 906 CD PRO A 61 -9.824 -7.438 -0.781 1.00 0.00 C ATOM 0 HA PRO A 61 -11.461 -9.040 -3.117 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.853 -10.142 -0.416 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.079 -10.541 -1.937 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.751 -9.154 -0.031 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.476 -8.830 -1.731 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.236 -7.290 0.217 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.081 -6.656 -0.938 1.00 0.00 H new ATOM 914 N ARG A 62 -13.801 -9.122 -2.438 1.00 0.00 N ATOM 915 CA ARG A 62 -15.252 -9.143 -2.137 1.00 0.00 C ATOM 916 C ARG A 62 -15.571 -10.191 -1.054 1.00 0.00 C ATOM 917 O ARG A 62 -16.300 -9.921 -0.095 1.00 0.00 O ATOM 918 CB ARG A 62 -16.043 -9.460 -3.442 1.00 0.00 C ATOM 919 CG ARG A 62 -17.585 -9.468 -3.297 1.00 0.00 C ATOM 920 CD ARG A 62 -18.301 -9.929 -4.581 1.00 0.00 C ATOM 921 NE ARG A 62 -18.084 -11.371 -4.867 1.00 0.00 N ATOM 922 CZ ARG A 62 -17.726 -11.889 -6.058 1.00 0.00 C ATOM 923 NH1 ARG A 62 -17.518 -11.106 -7.109 1.00 0.00 N ATOM 924 NH2 ARG A 62 -17.594 -13.195 -6.190 1.00 0.00 N ATOM 0 H ARG A 62 -13.592 -9.293 -3.422 1.00 0.00 H new ATOM 0 HA ARG A 62 -15.549 -8.165 -1.758 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -15.770 -8.726 -4.200 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -15.725 -10.434 -3.812 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -17.865 -10.125 -2.474 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -17.926 -8.466 -3.035 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -19.370 -9.738 -4.486 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -17.945 -9.337 -5.424 1.00 0.00 H new ATOM 0 HE ARG A 62 -18.218 -12.025 -4.095 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -17.629 -10.096 -7.022 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -17.247 -11.514 -8.004 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -17.763 -13.808 -5.392 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -17.323 -13.592 -7.090 1.00 0.00 H new ATOM 938 N GLN A 63 -14.973 -11.364 -1.225 1.00 0.00 N ATOM 939 CA GLN A 63 -15.099 -12.501 -0.312 1.00 0.00 C ATOM 940 C GLN A 63 -13.703 -13.123 -0.126 1.00 0.00 C ATOM 941 O GLN A 63 -12.842 -12.973 -0.999 1.00 0.00 O ATOM 942 CB GLN A 63 -16.100 -13.531 -0.904 1.00 0.00 C ATOM 943 CG GLN A 63 -16.327 -14.793 -0.044 1.00 0.00 C ATOM 944 CD GLN A 63 -17.300 -15.784 -0.680 1.00 0.00 C ATOM 945 OE1 GLN A 63 -18.500 -15.719 -0.451 1.00 0.00 O ATOM 946 NE2 GLN A 63 -16.795 -16.699 -1.494 1.00 0.00 N ATOM 0 H GLN A 63 -14.370 -11.559 -2.024 1.00 0.00 H new ATOM 0 HA GLN A 63 -15.481 -12.183 0.658 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -17.059 -13.036 -1.055 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -15.742 -13.839 -1.886 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -15.371 -15.288 0.123 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -16.707 -14.496 0.933 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.790 -16.729 -1.666 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -17.411 -17.373 -1.948 1.00 0.00 H new ATOM 955 N GLY A 64 -13.474 -13.783 1.025 1.00 0.00 N ATOM 956 CA GLY A 64 -12.236 -14.527 1.272 1.00 0.00 C ATOM 957 C GLY A 64 -12.273 -15.925 0.675 1.00 0.00 C ATOM 958 O GLY A 64 -13.105 -16.214 -0.189 1.00 0.00 O ATOM 0 H GLY A 64 -14.138 -13.813 1.799 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.394 -13.977 0.851 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.066 -14.598 2.346 1.00 0.00 H new ATOM 962 N GLY A 65 -11.353 -16.791 1.118 1.00 0.00 N ATOM 963 CA GLY A 65 -11.291 -18.174 0.639 1.00 0.00 C ATOM 964 C GLY A 65 -9.873 -18.719 0.659 1.00 0.00 C ATOM 965 O GLY A 65 -9.037 -18.285 -0.142 1.00 0.00 O ATOM 0 H GLY A 65 -10.641 -16.556 1.809 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.930 -18.802 1.260 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.685 -18.224 -0.376 1.00 0.00 H new ATOM 969 N LEU A 66 -9.610 -19.653 1.602 1.00 0.00 N ATOM 970 CA LEU A 66 -8.324 -20.389 1.728 1.00 0.00 C ATOM 971 C LEU A 66 -7.816 -20.926 0.368 1.00 0.00 C ATOM 972 O LEU A 66 -6.613 -20.917 0.094 1.00 0.00 O ATOM 973 CB LEU A 66 -8.473 -21.550 2.754 1.00 0.00 C ATOM 974 CG LEU A 66 -8.918 -21.138 4.194 1.00 0.00 C ATOM 975 CD1 LEU A 66 -9.074 -22.363 5.108 1.00 0.00 C ATOM 976 CD2 LEU A 66 -7.953 -20.111 4.817 1.00 0.00 C ATOM 0 H LEU A 66 -10.294 -19.923 2.309 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.576 -19.682 2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.197 -22.264 2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.518 -22.070 2.825 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.894 -20.662 4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.384 -22.039 6.101 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.827 -23.033 4.693 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.121 -22.888 5.179 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.296 -19.850 5.818 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.953 -20.541 4.877 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.926 -19.215 4.197 1.00 0.00 H new ATOM 988 N GLU A 67 -8.765 -21.354 -0.475 1.00 0.00 N ATOM 989 CA GLU A 67 -8.519 -21.691 -1.883 1.00 0.00 C ATOM 990 C GLU A 67 -9.793 -21.327 -2.682 1.00 0.00 C ATOM 991 O GLU A 67 -10.846 -21.058 -2.085 1.00 0.00 O ATOM 992 CB GLU A 67 -8.168 -23.196 -2.051 1.00 0.00 C ATOM 993 CG GLU A 67 -7.525 -23.545 -3.413 1.00 0.00 C ATOM 994 CD GLU A 67 -7.457 -25.047 -3.694 1.00 0.00 C ATOM 995 OE1 GLU A 67 -6.501 -25.715 -3.233 1.00 0.00 O ATOM 996 OE2 GLU A 67 -8.374 -25.578 -4.357 1.00 0.00 O ATOM 0 H GLU A 67 -9.738 -21.477 -0.194 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.664 -21.128 -2.257 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.486 -23.490 -1.253 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.076 -23.786 -1.928 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.093 -23.061 -4.208 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.517 -23.132 -3.445 1.00 0.00 H new ATOM 1003 N HIS A 68 -9.700 -21.316 -4.018 1.00 0.00 N ATOM 1004 CA HIS A 68 -10.852 -21.115 -4.906 1.00 0.00 C ATOM 1005 C HIS A 68 -11.172 -22.428 -5.625 1.00 0.00 C ATOM 1006 O HIS A 68 -10.648 -22.697 -6.704 1.00 0.00 O ATOM 1007 CB HIS A 68 -10.581 -19.977 -5.926 1.00 0.00 C ATOM 1008 CG HIS A 68 -10.369 -18.632 -5.289 1.00 0.00 C ATOM 1009 ND1 HIS A 68 -9.121 -18.110 -5.019 1.00 0.00 N ATOM 1010 CD2 HIS A 68 -11.257 -17.712 -4.860 1.00 0.00 C ATOM 1011 CE1 HIS A 68 -9.257 -16.935 -4.448 1.00 0.00 C ATOM 1012 NE2 HIS A 68 -10.543 -16.668 -4.346 1.00 0.00 N ATOM 0 H HIS A 68 -8.819 -21.447 -4.515 1.00 0.00 H new ATOM 0 HA HIS A 68 -11.712 -20.815 -4.307 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -9.701 -20.232 -6.516 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -11.421 -19.913 -6.617 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -12.333 -17.787 -4.913 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -8.451 -16.296 -4.118 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -10.941 -15.818 -3.947 1.00 0.00 H new ATOM 1021 N HIS A 69 -11.968 -23.287 -4.974 1.00 0.00 N ATOM 1022 CA HIS A 69 -12.607 -24.436 -5.636 1.00 0.00 C ATOM 1023 C HIS A 69 -13.766 -23.894 -6.471 1.00 0.00 C ATOM 1024 O HIS A 69 -14.592 -23.156 -5.925 1.00 0.00 O ATOM 1025 CB HIS A 69 -13.108 -25.488 -4.614 1.00 0.00 C ATOM 1026 CG HIS A 69 -12.017 -26.222 -3.892 1.00 0.00 C ATOM 1027 ND1 HIS A 69 -11.656 -25.957 -2.592 1.00 0.00 N ATOM 1028 CD2 HIS A 69 -11.228 -27.244 -4.298 1.00 0.00 C ATOM 1029 CE1 HIS A 69 -10.692 -26.778 -2.234 1.00 0.00 C ATOM 1030 NE2 HIS A 69 -10.413 -27.571 -3.250 1.00 0.00 N ATOM 0 H HIS A 69 -12.187 -23.208 -3.981 1.00 0.00 H new ATOM 0 HA HIS A 69 -11.881 -24.948 -6.267 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -13.741 -24.990 -3.880 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -13.733 -26.213 -5.135 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -11.240 -27.714 -5.270 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -10.209 -26.799 -1.268 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -9.706 -28.306 -3.253 1.00 0.00 H new ATOM 1039 N HIS A 70 -13.799 -24.273 -7.778 1.00 0.00 N ATOM 1040 CA HIS A 70 -14.660 -23.667 -8.837 1.00 0.00 C ATOM 1041 C HIS A 70 -14.584 -22.112 -8.811 1.00 0.00 C ATOM 1042 O HIS A 70 -15.147 -21.482 -7.911 1.00 0.00 O ATOM 1043 CB HIS A 70 -16.143 -24.202 -8.833 1.00 0.00 C ATOM 1044 CG HIS A 70 -16.990 -23.932 -7.602 1.00 0.00 C ATOM 1045 ND1 HIS A 70 -17.626 -22.733 -7.376 1.00 0.00 N ATOM 1046 CD2 HIS A 70 -17.293 -24.715 -6.533 1.00 0.00 C ATOM 1047 CE1 HIS A 70 -18.275 -22.788 -6.230 1.00 0.00 C ATOM 1048 NE2 HIS A 70 -18.092 -23.977 -5.700 1.00 0.00 N ATOM 0 H HIS A 70 -13.213 -25.028 -8.135 1.00 0.00 H new ATOM 0 HA HIS A 70 -14.248 -23.999 -9.790 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -16.656 -23.773 -9.693 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -16.110 -25.281 -8.987 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -16.965 -25.731 -6.370 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -18.860 -21.989 -5.798 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -18.481 -24.298 -4.813 1.00 0.00 H new ATOM 1057 N HIS A 71 -13.882 -21.527 -9.826 1.00 0.00 N ATOM 1058 CA HIS A 71 -13.452 -20.091 -9.874 1.00 0.00 C ATOM 1059 C HIS A 71 -14.476 -19.121 -9.257 1.00 0.00 C ATOM 1060 O HIS A 71 -14.148 -18.412 -8.295 1.00 0.00 O ATOM 1061 CB HIS A 71 -13.132 -19.671 -11.345 1.00 0.00 C ATOM 1062 CG HIS A 71 -12.799 -18.199 -11.528 1.00 0.00 C ATOM 1063 ND1 HIS A 71 -11.567 -17.666 -11.247 1.00 0.00 N ATOM 1064 CD2 HIS A 71 -13.566 -17.153 -11.935 1.00 0.00 C ATOM 1065 CE1 HIS A 71 -11.586 -16.369 -11.464 1.00 0.00 C ATOM 1066 NE2 HIS A 71 -12.788 -16.031 -11.885 1.00 0.00 N ATOM 0 H HIS A 71 -13.592 -22.050 -10.652 1.00 0.00 H new ATOM 0 HA HIS A 71 -12.553 -20.020 -9.262 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -12.293 -20.267 -11.704 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -13.989 -19.916 -11.973 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -14.600 -17.200 -12.242 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.755 -15.694 -11.321 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -13.088 -15.088 -12.133 1.00 0.00 H new ATOM 1075 N HIS A 72 -15.703 -19.141 -9.811 1.00 0.00 N ATOM 1076 CA HIS A 72 -16.834 -18.301 -9.364 1.00 0.00 C ATOM 1077 C HIS A 72 -16.453 -16.797 -9.351 1.00 0.00 C ATOM 1078 O HIS A 72 -15.887 -16.298 -8.368 1.00 0.00 O ATOM 1079 CB HIS A 72 -17.360 -18.780 -7.981 1.00 0.00 C ATOM 1080 CG HIS A 72 -18.520 -17.977 -7.450 1.00 0.00 C ATOM 1081 ND1 HIS A 72 -18.351 -16.836 -6.704 1.00 0.00 N ATOM 1082 CD2 HIS A 72 -19.861 -18.146 -7.577 1.00 0.00 C ATOM 1083 CE1 HIS A 72 -19.525 -16.338 -6.396 1.00 0.00 C ATOM 1084 NE2 HIS A 72 -20.460 -17.113 -6.911 1.00 0.00 N ATOM 0 H HIS A 72 -15.942 -19.750 -10.594 1.00 0.00 H new ATOM 0 HA HIS A 72 -17.646 -18.413 -10.083 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -17.662 -19.824 -8.061 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -16.544 -18.739 -7.260 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -20.360 -18.945 -8.104 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -19.697 -15.443 -5.817 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -21.466 -16.966 -6.826 1.00 0.00 H new ATOM 1093 N HIS A 73 -16.747 -16.094 -10.462 1.00 0.00 N ATOM 1094 CA HIS A 73 -16.362 -14.681 -10.635 1.00 0.00 C ATOM 1095 C HIS A 73 -17.027 -13.763 -9.574 1.00 0.00 C ATOM 1096 O HIS A 73 -16.348 -12.861 -9.056 1.00 0.00 O ATOM 1097 CB HIS A 73 -16.657 -14.186 -12.083 1.00 0.00 C ATOM 1098 CG HIS A 73 -18.118 -14.148 -12.498 1.00 0.00 C ATOM 1099 ND1 HIS A 73 -18.742 -15.189 -13.152 1.00 0.00 N ATOM 1100 CD2 HIS A 73 -19.060 -13.175 -12.377 1.00 0.00 C ATOM 1101 CE1 HIS A 73 -19.992 -14.860 -13.410 1.00 0.00 C ATOM 1102 NE2 HIS A 73 -20.211 -13.646 -12.952 1.00 0.00 N ATOM 1103 OXT HIS A 73 -18.210 -13.985 -9.222 1.00 0.00 O ATOM 0 H HIS A 73 -17.253 -16.485 -11.257 1.00 0.00 H new ATOM 0 HA HIS A 73 -15.285 -14.621 -10.478 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -16.244 -13.183 -12.192 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -16.120 -14.829 -12.780 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -18.926 -12.209 -11.913 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -20.716 -15.483 -13.914 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -21.094 -13.138 -13.015 1.00 0.00 H new TER 1112 HIS A 73