USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 498 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET N :NH3+ -137:sc= -0.266 (180deg=-1.14!) USER MOD Set 1.2: A 22 THR OG1 : rot 170:sc= 0 USER MOD Set 2.1: A 1 MET CE :methyl -111:sc= -0.125 (180deg=0) USER MOD Set 2.2: A 2 ASN : amide:sc= -0.326 X(o=-0.45,f=-0.087) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.00819 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 170:sc= -0.0117 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.366 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.569 6.568 -4.613 1.00 0.00 N ATOM 2 CA MET A 1 4.070 5.567 -5.600 1.00 0.00 C ATOM 3 C MET A 1 4.358 4.130 -5.148 1.00 0.00 C ATOM 4 O MET A 1 3.496 3.256 -5.263 1.00 0.00 O ATOM 5 CB MET A 1 4.715 5.849 -6.969 1.00 0.00 C ATOM 6 CG MET A 1 6.188 5.480 -7.055 1.00 0.00 C ATOM 7 SD MET A 1 6.976 6.102 -8.553 1.00 0.00 S ATOM 8 CE MET A 1 8.600 6.524 -7.925 1.00 0.00 C ATOM 0 H1 MET A 1 3.856 7.314 -4.484 1.00 0.00 H new ATOM 0 H2 MET A 1 4.748 6.098 -3.702 1.00 0.00 H new ATOM 0 H3 MET A 1 5.452 6.991 -4.964 1.00 0.00 H new ATOM 0 HA MET A 1 2.987 5.662 -5.677 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.169 5.298 -7.735 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.604 6.909 -7.198 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.709 5.877 -6.184 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.289 4.395 -7.020 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.721 7.607 -7.928 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.705 6.150 -6.906 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.364 6.071 -8.558 1.00 0.00 H new ATOM 20 N ASN A 2 5.568 3.895 -4.627 1.00 0.00 N ATOM 21 CA ASN A 2 5.961 2.569 -4.150 1.00 0.00 C ATOM 22 C ASN A 2 6.285 2.605 -2.659 1.00 0.00 C ATOM 23 O ASN A 2 6.973 3.512 -2.185 1.00 0.00 O ATOM 24 CB ASN A 2 7.162 2.029 -4.940 1.00 0.00 C ATOM 25 CG ASN A 2 8.288 3.040 -5.082 1.00 0.00 C ATOM 26 OD1 ASN A 2 8.904 3.444 -4.097 1.00 0.00 O ATOM 27 ND2 ASN A 2 8.569 3.448 -6.316 1.00 0.00 N ATOM 0 H ASN A 2 6.290 4.608 -4.526 1.00 0.00 H new ATOM 0 HA ASN A 2 5.118 1.897 -4.309 1.00 0.00 H new ATOM 0 HB2 ASN A 2 7.544 1.137 -4.444 1.00 0.00 H new ATOM 0 HB3 ASN A 2 6.829 1.724 -5.932 1.00 0.00 H new ATOM 0 HD21 ASN A 2 9.320 4.121 -6.472 1.00 0.00 H new ATOM 0 HD22 ASN A 2 8.034 3.088 -7.106 1.00 0.00 H new ATOM 34 N VAL A 3 5.778 1.617 -1.922 1.00 0.00 N ATOM 35 CA VAL A 3 6.005 1.533 -0.483 1.00 0.00 C ATOM 36 C VAL A 3 6.245 0.090 -0.046 1.00 0.00 C ATOM 37 O VAL A 3 5.584 -0.834 -0.527 1.00 0.00 O ATOM 38 CB VAL A 3 4.814 2.108 0.314 1.00 0.00 C ATOM 39 CG1 VAL A 3 5.142 2.168 1.798 1.00 0.00 C ATOM 40 CG2 VAL A 3 4.427 3.488 -0.207 1.00 0.00 C ATOM 0 H VAL A 3 5.206 0.862 -2.301 1.00 0.00 H new ATOM 0 HA VAL A 3 6.893 2.128 -0.271 1.00 0.00 H new ATOM 0 HB VAL A 3 3.961 1.443 0.177 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.290 2.576 2.343 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.359 1.164 2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 3 6.011 2.807 1.953 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.586 3.872 0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.275 4.166 -0.107 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.143 3.414 -1.257 1.00 0.00 H new ATOM 50 N THR A 4 7.189 -0.096 0.875 1.00 0.00 N ATOM 51 CA THR A 4 7.509 -1.425 1.386 1.00 0.00 C ATOM 52 C THR A 4 6.472 -1.847 2.421 1.00 0.00 C ATOM 53 O THR A 4 6.321 -1.199 3.459 1.00 0.00 O ATOM 54 CB THR A 4 8.911 -1.445 2.005 1.00 0.00 C ATOM 55 OG1 THR A 4 9.744 -0.467 1.403 1.00 0.00 O ATOM 56 CG2 THR A 4 9.606 -2.784 1.872 1.00 0.00 C ATOM 0 H THR A 4 7.744 0.657 1.281 1.00 0.00 H new ATOM 0 HA THR A 4 7.492 -2.130 0.555 1.00 0.00 H new ATOM 0 HB THR A 4 8.759 -1.235 3.064 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.633 -0.496 1.814 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.593 -2.729 2.331 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.016 -3.552 2.372 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.710 -3.037 0.817 1.00 0.00 H new ATOM 64 N VAL A 5 5.749 -2.926 2.127 1.00 0.00 N ATOM 65 CA VAL A 5 4.716 -3.422 3.029 1.00 0.00 C ATOM 66 C VAL A 5 5.041 -4.827 3.535 1.00 0.00 C ATOM 67 O VAL A 5 5.475 -5.691 2.769 1.00 0.00 O ATOM 68 CB VAL A 5 3.332 -3.436 2.342 1.00 0.00 C ATOM 69 CG1 VAL A 5 2.932 -2.030 1.910 1.00 0.00 C ATOM 70 CG2 VAL A 5 3.328 -4.387 1.154 1.00 0.00 C ATOM 0 H VAL A 5 5.860 -3.471 1.272 1.00 0.00 H new ATOM 0 HA VAL A 5 4.687 -2.739 3.878 1.00 0.00 H new ATOM 0 HB VAL A 5 2.597 -3.793 3.064 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.955 -2.062 1.428 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.885 -1.380 2.784 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.670 -1.641 1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.344 -4.380 0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.077 -4.067 0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.561 -5.396 1.495 1.00 0.00 H new ATOM 80 N GLU A 6 4.819 -5.052 4.829 1.00 0.00 N ATOM 81 CA GLU A 6 5.077 -6.354 5.434 1.00 0.00 C ATOM 82 C GLU A 6 3.837 -7.239 5.331 1.00 0.00 C ATOM 83 O GLU A 6 2.800 -6.939 5.928 1.00 0.00 O ATOM 84 CB GLU A 6 5.493 -6.193 6.899 1.00 0.00 C ATOM 85 CG GLU A 6 6.561 -7.185 7.343 1.00 0.00 C ATOM 86 CD GLU A 6 7.454 -6.644 8.448 1.00 0.00 C ATOM 87 OE1 GLU A 6 7.837 -5.455 8.382 1.00 0.00 O ATOM 88 OE2 GLU A 6 7.772 -7.414 9.378 1.00 0.00 O ATOM 0 H GLU A 6 4.462 -4.350 5.476 1.00 0.00 H new ATOM 0 HA GLU A 6 5.895 -6.831 4.893 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.864 -5.180 7.053 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.614 -6.311 7.533 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.078 -8.099 7.689 1.00 0.00 H new ATOM 0 HG3 GLU A 6 7.177 -7.455 6.485 1.00 0.00 H new ATOM 95 N VAL A 7 3.948 -8.324 4.567 1.00 0.00 N ATOM 96 CA VAL A 7 2.834 -9.248 4.383 1.00 0.00 C ATOM 97 C VAL A 7 2.784 -10.276 5.508 1.00 0.00 C ATOM 98 O VAL A 7 3.803 -10.850 5.884 1.00 0.00 O ATOM 99 CB VAL A 7 2.900 -9.978 3.020 1.00 0.00 C ATOM 100 CG1 VAL A 7 2.483 -9.045 1.893 1.00 0.00 C ATOM 101 CG2 VAL A 7 4.291 -10.539 2.763 1.00 0.00 C ATOM 0 H VAL A 7 4.798 -8.584 4.066 1.00 0.00 H new ATOM 0 HA VAL A 7 1.926 -8.646 4.403 1.00 0.00 H new ATOM 0 HB VAL A 7 2.202 -10.815 3.054 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.536 -9.576 0.943 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.462 -8.704 2.062 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.152 -8.185 1.866 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.306 -11.046 1.798 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.016 -9.725 2.757 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.548 -11.248 3.550 1.00 0.00 H new ATOM 111 N VAL A 8 1.589 -10.492 6.046 1.00 0.00 N ATOM 112 CA VAL A 8 1.393 -11.446 7.141 1.00 0.00 C ATOM 113 C VAL A 8 1.840 -12.855 6.741 1.00 0.00 C ATOM 114 O VAL A 8 1.443 -13.369 5.692 1.00 0.00 O ATOM 115 CB VAL A 8 -0.083 -11.492 7.593 1.00 0.00 C ATOM 116 CG1 VAL A 8 -0.252 -12.404 8.802 1.00 0.00 C ATOM 117 CG2 VAL A 8 -0.597 -10.091 7.898 1.00 0.00 C ATOM 0 H VAL A 8 0.737 -10.020 5.744 1.00 0.00 H new ATOM 0 HA VAL A 8 2.008 -11.099 7.971 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.675 -11.902 6.775 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.300 -12.420 9.102 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.067 -13.414 8.544 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.356 -12.031 9.627 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.639 -10.146 8.215 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.001 -9.649 8.695 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.522 -9.473 7.003 1.00 0.00 H new ATOM 127 N GLY A 9 2.671 -13.471 7.587 1.00 0.00 N ATOM 128 CA GLY A 9 3.167 -14.813 7.317 1.00 0.00 C ATOM 129 C GLY A 9 4.391 -14.810 6.421 1.00 0.00 C ATOM 130 O GLY A 9 5.451 -15.306 6.803 1.00 0.00 O ATOM 0 H GLY A 9 3.009 -13.061 8.457 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.412 -15.303 8.259 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.378 -15.401 6.847 1.00 0.00 H new ATOM 134 N GLU A 10 4.238 -14.242 5.230 1.00 0.00 N ATOM 135 CA GLU A 10 5.324 -14.155 4.258 1.00 0.00 C ATOM 136 C GLU A 10 6.299 -13.033 4.627 1.00 0.00 C ATOM 137 O GLU A 10 5.984 -12.175 5.453 1.00 0.00 O ATOM 138 CB GLU A 10 4.750 -13.922 2.859 1.00 0.00 C ATOM 139 CG GLU A 10 5.444 -14.715 1.763 1.00 0.00 C ATOM 140 CD GLU A 10 5.851 -13.840 0.595 1.00 0.00 C ATOM 141 OE1 GLU A 10 4.993 -13.578 -0.275 1.00 0.00 O ATOM 142 OE2 GLU A 10 7.023 -13.409 0.555 1.00 0.00 O ATOM 0 H GLU A 10 3.361 -13.830 4.911 1.00 0.00 H new ATOM 0 HA GLU A 10 5.874 -15.096 4.267 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.691 -14.181 2.865 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.817 -12.860 2.623 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.327 -15.204 2.174 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.779 -15.503 1.410 1.00 0.00 H new ATOM 149 N GLU A 11 7.489 -13.054 4.016 1.00 0.00 N ATOM 150 CA GLU A 11 8.520 -12.040 4.276 1.00 0.00 C ATOM 151 C GLU A 11 8.031 -10.638 3.864 1.00 0.00 C ATOM 152 O GLU A 11 6.838 -10.344 3.936 1.00 0.00 O ATOM 153 CB GLU A 11 9.818 -12.404 3.534 1.00 0.00 C ATOM 154 CG GLU A 11 10.263 -13.852 3.733 1.00 0.00 C ATOM 155 CD GLU A 11 10.629 -14.552 2.432 1.00 0.00 C ATOM 156 OE1 GLU A 11 9.954 -14.309 1.407 1.00 0.00 O ATOM 157 OE2 GLU A 11 11.592 -15.350 2.441 1.00 0.00 O ATOM 0 H GLU A 11 7.763 -13.763 3.336 1.00 0.00 H new ATOM 0 HA GLU A 11 8.723 -12.021 5.347 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.679 -12.221 2.469 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.615 -11.740 3.870 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.123 -13.872 4.403 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.463 -14.407 4.224 1.00 0.00 H new ATOM 164 N THR A 12 8.946 -9.771 3.436 1.00 0.00 N ATOM 165 CA THR A 12 8.577 -8.415 3.033 1.00 0.00 C ATOM 166 C THR A 12 8.465 -8.310 1.513 1.00 0.00 C ATOM 167 O THR A 12 9.317 -8.814 0.780 1.00 0.00 O ATOM 168 CB THR A 12 9.597 -7.396 3.555 1.00 0.00 C ATOM 169 OG1 THR A 12 10.156 -7.821 4.787 1.00 0.00 O ATOM 170 CG2 THR A 12 9.005 -6.019 3.771 1.00 0.00 C ATOM 0 H THR A 12 9.941 -9.980 3.359 1.00 0.00 H new ATOM 0 HA THR A 12 7.604 -8.191 3.470 1.00 0.00 H new ATOM 0 HB THR A 12 10.361 -7.333 2.780 1.00 0.00 H new ATOM 0 HG1 THR A 12 10.805 -7.156 5.099 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.778 -5.345 4.141 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.613 -5.639 2.827 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.198 -6.080 4.501 1.00 0.00 H new ATOM 178 N SER A 13 7.396 -7.659 1.052 1.00 0.00 N ATOM 179 CA SER A 13 7.145 -7.487 -0.377 1.00 0.00 C ATOM 180 C SER A 13 6.785 -6.040 -0.702 1.00 0.00 C ATOM 181 O SER A 13 6.424 -5.262 0.185 1.00 0.00 O ATOM 182 CB SER A 13 6.019 -8.420 -0.837 1.00 0.00 C ATOM 183 OG SER A 13 4.935 -8.412 0.079 1.00 0.00 O ATOM 0 H SER A 13 6.687 -7.240 1.653 1.00 0.00 H new ATOM 0 HA SER A 13 8.061 -7.741 -0.910 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.668 -8.111 -1.822 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.404 -9.435 -0.939 1.00 0.00 H new ATOM 0 HG SER A 13 4.171 -8.884 -0.314 1.00 0.00 H new ATOM 189 N GLU A 14 6.883 -5.686 -1.981 1.00 0.00 N ATOM 190 CA GLU A 14 6.568 -4.336 -2.429 1.00 0.00 C ATOM 191 C GLU A 14 5.153 -4.275 -2.993 1.00 0.00 C ATOM 192 O GLU A 14 4.814 -4.994 -3.935 1.00 0.00 O ATOM 193 CB GLU A 14 7.581 -3.874 -3.476 1.00 0.00 C ATOM 194 CG GLU A 14 9.025 -3.980 -3.008 1.00 0.00 C ATOM 195 CD GLU A 14 9.957 -4.485 -4.093 1.00 0.00 C ATOM 196 OE1 GLU A 14 10.116 -3.783 -5.115 1.00 0.00 O ATOM 197 OE2 GLU A 14 10.531 -5.581 -3.920 1.00 0.00 O ATOM 0 H GLU A 14 7.179 -6.318 -2.725 1.00 0.00 H new ATOM 0 HA GLU A 14 6.624 -3.666 -1.571 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.455 -4.470 -4.380 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.369 -2.839 -3.744 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.365 -3.002 -2.669 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.076 -4.650 -2.150 1.00 0.00 H new ATOM 204 N VAL A 15 4.332 -3.414 -2.400 1.00 0.00 N ATOM 205 CA VAL A 15 2.946 -3.246 -2.818 1.00 0.00 C ATOM 206 C VAL A 15 2.604 -1.762 -2.957 1.00 0.00 C ATOM 207 O VAL A 15 3.186 -0.917 -2.273 1.00 0.00 O ATOM 208 CB VAL A 15 1.980 -3.913 -1.812 1.00 0.00 C ATOM 209 CG1 VAL A 15 0.527 -3.622 -2.160 1.00 0.00 C ATOM 210 CG2 VAL A 15 2.222 -5.416 -1.752 1.00 0.00 C ATOM 0 H VAL A 15 4.607 -2.816 -1.621 1.00 0.00 H new ATOM 0 HA VAL A 15 2.829 -3.731 -3.787 1.00 0.00 H new ATOM 0 HB VAL A 15 2.180 -3.487 -0.829 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.125 -4.106 -1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.357 -2.546 -2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.308 -4.006 -3.156 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.533 -5.867 -1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.059 -5.850 -2.738 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.248 -5.607 -1.436 1.00 0.00 H new ATOM 220 N ALA A 16 1.658 -1.450 -3.841 1.00 0.00 N ATOM 221 CA ALA A 16 1.245 -0.072 -4.057 1.00 0.00 C ATOM 222 C ALA A 16 0.200 0.340 -3.025 1.00 0.00 C ATOM 223 O ALA A 16 -0.618 -0.477 -2.593 1.00 0.00 O ATOM 224 CB ALA A 16 0.707 0.106 -5.468 1.00 0.00 C ATOM 0 H ALA A 16 1.166 -2.134 -4.416 1.00 0.00 H new ATOM 0 HA ALA A 16 2.115 0.574 -3.938 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.402 1.142 -5.613 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.484 -0.148 -6.189 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.152 -0.549 -5.615 1.00 0.00 H new ATOM 230 N VAL A 17 0.244 1.607 -2.625 1.00 0.00 N ATOM 231 CA VAL A 17 -0.687 2.136 -1.627 1.00 0.00 C ATOM 232 C VAL A 17 -1.590 3.228 -2.208 1.00 0.00 C ATOM 233 O VAL A 17 -1.231 3.895 -3.183 1.00 0.00 O ATOM 234 CB VAL A 17 0.060 2.706 -0.401 1.00 0.00 C ATOM 235 CG1 VAL A 17 0.641 1.587 0.456 1.00 0.00 C ATOM 236 CG2 VAL A 17 1.156 3.669 -0.834 1.00 0.00 C ATOM 0 H VAL A 17 0.915 2.290 -2.976 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.306 1.295 -1.315 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.662 3.256 0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.161 2.017 1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.165 0.942 0.807 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.342 1.001 -0.138 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.668 4.057 0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.871 3.145 -1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.715 4.495 -1.391 1.00 0.00 H new ATOM 246 N ASP A 18 -2.764 3.401 -1.592 1.00 0.00 N ATOM 247 CA ASP A 18 -3.736 4.405 -2.025 1.00 0.00 C ATOM 248 C ASP A 18 -3.495 5.738 -1.316 1.00 0.00 C ATOM 249 O ASP A 18 -3.644 6.802 -1.919 1.00 0.00 O ATOM 250 CB ASP A 18 -5.169 3.922 -1.760 1.00 0.00 C ATOM 251 CG ASP A 18 -5.441 3.664 -0.291 1.00 0.00 C ATOM 252 OD1 ASP A 18 -5.075 2.575 0.195 1.00 0.00 O ATOM 253 OD2 ASP A 18 -6.015 4.554 0.372 1.00 0.00 O ATOM 0 H ASP A 18 -3.064 2.853 -0.786 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.608 4.553 -3.097 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.873 4.668 -2.129 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.349 3.007 -2.324 1.00 0.00 H new ATOM 258 N ASP A 19 -3.115 5.674 -0.034 1.00 0.00 N ATOM 259 CA ASP A 19 -2.840 6.884 0.749 1.00 0.00 C ATOM 260 C ASP A 19 -1.708 7.709 0.118 1.00 0.00 C ATOM 261 O ASP A 19 -1.599 8.908 0.376 1.00 0.00 O ATOM 262 CB ASP A 19 -2.509 6.528 2.209 1.00 0.00 C ATOM 263 CG ASP A 19 -1.176 5.820 2.375 1.00 0.00 C ATOM 264 OD1 ASP A 19 -0.776 5.059 1.464 1.00 0.00 O ATOM 265 OD2 ASP A 19 -0.532 6.024 3.423 1.00 0.00 O ATOM 0 H ASP A 19 -2.992 4.802 0.481 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.742 7.496 0.744 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.503 7.441 2.804 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.300 5.893 2.608 1.00 0.00 H new ATOM 270 N ASP A 20 -0.884 7.057 -0.717 1.00 0.00 N ATOM 271 CA ASP A 20 0.229 7.719 -1.405 1.00 0.00 C ATOM 272 C ASP A 20 -0.171 9.110 -1.906 1.00 0.00 C ATOM 273 O ASP A 20 0.506 10.096 -1.627 1.00 0.00 O ATOM 274 CB ASP A 20 0.692 6.864 -2.594 1.00 0.00 C ATOM 275 CG ASP A 20 2.185 6.593 -2.582 1.00 0.00 C ATOM 276 OD1 ASP A 20 2.964 7.541 -2.344 1.00 0.00 O ATOM 277 OD2 ASP A 20 2.579 5.433 -2.824 1.00 0.00 O ATOM 0 H ASP A 20 -0.971 6.064 -0.931 1.00 0.00 H new ATOM 0 HA ASP A 20 1.043 7.832 -0.689 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.156 5.915 -2.583 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.427 7.369 -3.523 1.00 0.00 H new ATOM 282 N GLY A 21 -1.279 9.176 -2.648 1.00 0.00 N ATOM 283 CA GLY A 21 -1.749 10.451 -3.173 1.00 0.00 C ATOM 284 C GLY A 21 -1.203 10.784 -4.553 1.00 0.00 C ATOM 285 O GLY A 21 -1.666 11.726 -5.197 1.00 0.00 O ATOM 0 H GLY A 21 -1.857 8.372 -2.894 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.838 10.436 -3.217 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.469 11.244 -2.480 1.00 0.00 H new ATOM 289 N THR A 22 -0.207 10.022 -4.994 1.00 0.00 N ATOM 290 CA THR A 22 0.426 10.248 -6.295 1.00 0.00 C ATOM 291 C THR A 22 -0.324 9.533 -7.425 1.00 0.00 C ATOM 292 O THR A 22 -1.325 8.854 -7.192 1.00 0.00 O ATOM 293 CB THR A 22 1.892 9.788 -6.260 1.00 0.00 C ATOM 294 OG1 THR A 22 1.986 8.376 -6.143 1.00 0.00 O ATOM 295 CG2 THR A 22 2.683 10.396 -5.120 1.00 0.00 C ATOM 0 H THR A 22 0.183 9.239 -4.469 1.00 0.00 H new ATOM 0 HA THR A 22 0.388 11.318 -6.498 1.00 0.00 H new ATOM 0 HB THR A 22 2.317 10.129 -7.204 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.915 8.097 -6.285 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.709 10.030 -5.153 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.682 11.482 -5.215 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.228 10.114 -4.170 1.00 0.00 H new ATOM 303 N TYR A 23 0.172 9.701 -8.658 1.00 0.00 N ATOM 304 CA TYR A 23 -0.441 9.088 -9.841 1.00 0.00 C ATOM 305 C TYR A 23 -0.540 7.567 -9.701 1.00 0.00 C ATOM 306 O TYR A 23 -1.471 6.953 -10.226 1.00 0.00 O ATOM 307 CB TYR A 23 0.355 9.441 -11.103 1.00 0.00 C ATOM 308 CG TYR A 23 -0.434 10.244 -12.113 1.00 0.00 C ATOM 309 CD1 TYR A 23 -0.772 11.569 -11.865 1.00 0.00 C ATOM 310 CD2 TYR A 23 -0.842 9.677 -13.314 1.00 0.00 C ATOM 311 CE1 TYR A 23 -1.493 12.305 -12.785 1.00 0.00 C ATOM 312 CE2 TYR A 23 -1.562 10.407 -14.239 1.00 0.00 C ATOM 313 CZ TYR A 23 -1.886 11.720 -13.970 1.00 0.00 C ATOM 314 OH TYR A 23 -2.604 12.450 -14.889 1.00 0.00 O ATOM 0 H TYR A 23 1.001 10.260 -8.861 1.00 0.00 H new ATOM 0 HA TYR A 23 -1.451 9.488 -9.928 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.242 10.005 -10.816 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.701 8.521 -11.574 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -0.466 12.031 -10.938 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.592 8.648 -13.528 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -1.748 13.334 -12.577 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -1.870 9.952 -15.169 1.00 0.00 H new ATOM 0 HH TYR A 23 -2.801 11.891 -15.669 1.00 0.00 H new ATOM 324 N ALA A 24 0.420 6.964 -8.994 1.00 0.00 N ATOM 325 CA ALA A 24 0.429 5.513 -8.794 1.00 0.00 C ATOM 326 C ALA A 24 -0.882 5.029 -8.170 1.00 0.00 C ATOM 327 O ALA A 24 -1.368 3.947 -8.503 1.00 0.00 O ATOM 328 CB ALA A 24 1.604 5.101 -7.920 1.00 0.00 C ATOM 0 H ALA A 24 1.197 7.456 -8.553 1.00 0.00 H new ATOM 0 HA ALA A 24 0.534 5.046 -9.773 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.594 4.020 -7.783 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.536 5.397 -8.401 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.525 5.591 -6.949 1.00 0.00 H new ATOM 334 N ASP A 25 -1.456 5.840 -7.277 1.00 0.00 N ATOM 335 CA ASP A 25 -2.720 5.495 -6.627 1.00 0.00 C ATOM 336 C ASP A 25 -3.863 5.495 -7.641 1.00 0.00 C ATOM 337 O ASP A 25 -4.692 4.583 -7.657 1.00 0.00 O ATOM 338 CB ASP A 25 -3.022 6.483 -5.491 1.00 0.00 C ATOM 339 CG ASP A 25 -4.435 6.350 -4.939 1.00 0.00 C ATOM 340 OD1 ASP A 25 -4.940 5.210 -4.838 1.00 0.00 O ATOM 341 OD2 ASP A 25 -5.036 7.391 -4.605 1.00 0.00 O ATOM 0 H ASP A 25 -1.066 6.737 -6.989 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.628 4.493 -6.207 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.307 6.327 -4.683 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.875 7.500 -5.854 1.00 0.00 H new ATOM 346 N LEU A 26 -3.893 6.521 -8.494 1.00 0.00 N ATOM 347 CA LEU A 26 -4.927 6.645 -9.519 1.00 0.00 C ATOM 348 C LEU A 26 -4.949 5.414 -10.421 1.00 0.00 C ATOM 349 O LEU A 26 -6.010 4.849 -10.687 1.00 0.00 O ATOM 350 CB LEU A 26 -4.696 7.903 -10.363 1.00 0.00 C ATOM 351 CG LEU A 26 -5.668 8.096 -11.531 1.00 0.00 C ATOM 352 CD1 LEU A 26 -7.111 7.981 -11.059 1.00 0.00 C ATOM 353 CD2 LEU A 26 -5.424 9.441 -12.201 1.00 0.00 C ATOM 0 H LEU A 26 -3.210 7.279 -8.494 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.891 6.725 -9.016 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.760 8.774 -9.711 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.681 7.874 -10.758 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.491 7.307 -12.262 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.783 8.122 -11.906 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.275 6.994 -10.626 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.310 8.745 -10.307 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.121 9.566 -13.030 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.574 10.241 -11.476 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.402 9.480 -12.578 1.00 0.00 H new ATOM 365 N VAL A 27 -3.771 5.003 -10.884 1.00 0.00 N ATOM 366 CA VAL A 27 -3.659 3.833 -11.752 1.00 0.00 C ATOM 367 C VAL A 27 -3.928 2.544 -10.973 1.00 0.00 C ATOM 368 O VAL A 27 -4.470 1.582 -11.520 1.00 0.00 O ATOM 369 CB VAL A 27 -2.278 3.756 -12.440 1.00 0.00 C ATOM 370 CG1 VAL A 27 -1.161 3.585 -11.419 1.00 0.00 C ATOM 371 CG2 VAL A 27 -2.253 2.633 -13.469 1.00 0.00 C ATOM 0 H VAL A 27 -2.884 5.460 -10.674 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.416 3.941 -12.529 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.108 4.699 -12.959 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.202 3.534 -11.934 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.161 4.433 -10.735 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.320 2.665 -10.856 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.272 2.595 -13.943 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.454 1.682 -12.975 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.015 2.817 -14.227 1.00 0.00 H new ATOM 381 N ARG A 28 -3.551 2.535 -9.693 1.00 0.00 N ATOM 382 CA ARG A 28 -3.763 1.370 -8.837 1.00 0.00 C ATOM 383 C ARG A 28 -5.255 1.073 -8.681 1.00 0.00 C ATOM 384 O ARG A 28 -5.655 -0.088 -8.609 1.00 0.00 O ATOM 385 CB ARG A 28 -3.115 1.579 -7.463 1.00 0.00 C ATOM 386 CG ARG A 28 -1.909 0.684 -7.216 1.00 0.00 C ATOM 387 CD ARG A 28 -0.872 0.816 -8.323 1.00 0.00 C ATOM 388 NE ARG A 28 -0.530 -0.477 -8.921 1.00 0.00 N ATOM 389 CZ ARG A 28 0.052 -0.622 -10.116 1.00 0.00 C ATOM 390 NH1 ARG A 28 0.378 0.443 -10.845 1.00 0.00 N ATOM 391 NH2 ARG A 28 0.314 -1.838 -10.581 1.00 0.00 N ATOM 0 H ARG A 28 -3.098 3.322 -9.228 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.290 0.512 -9.315 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.809 2.621 -7.370 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.859 1.395 -6.688 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.455 0.942 -6.259 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.235 -0.354 -7.145 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.253 1.482 -9.097 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.030 1.277 -7.920 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.750 -1.321 -8.392 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.184 1.381 -10.493 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.822 0.321 -11.755 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.071 -2.659 -10.027 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.758 -1.951 -11.492 1.00 0.00 H new ATOM 405 N ALA A 29 -6.072 2.131 -8.633 1.00 0.00 N ATOM 406 CA ALA A 29 -7.524 1.989 -8.494 1.00 0.00 C ATOM 407 C ALA A 29 -8.116 1.105 -9.594 1.00 0.00 C ATOM 408 O ALA A 29 -9.175 0.504 -9.406 1.00 0.00 O ATOM 409 CB ALA A 29 -8.196 3.355 -8.492 1.00 0.00 C ATOM 0 H ALA A 29 -5.750 3.097 -8.689 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.715 1.499 -7.539 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.274 3.230 -8.388 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.817 3.946 -7.658 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.979 3.869 -9.429 1.00 0.00 H new ATOM 415 N VAL A 30 -7.431 1.019 -10.738 1.00 0.00 N ATOM 416 CA VAL A 30 -7.902 0.190 -11.845 1.00 0.00 C ATOM 417 C VAL A 30 -7.539 -1.289 -11.626 1.00 0.00 C ATOM 418 O VAL A 30 -7.821 -2.133 -12.477 1.00 0.00 O ATOM 419 CB VAL A 30 -7.331 0.665 -13.200 1.00 0.00 C ATOM 420 CG1 VAL A 30 -8.101 0.036 -14.354 1.00 0.00 C ATOM 421 CG2 VAL A 30 -7.366 2.184 -13.304 1.00 0.00 C ATOM 0 H VAL A 30 -6.555 1.510 -10.919 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.987 0.291 -11.872 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.291 0.344 -13.259 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.685 0.382 -15.300 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.020 -1.049 -14.297 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.150 0.325 -14.292 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.959 2.492 -14.267 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.396 2.531 -13.218 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.769 2.617 -12.502 1.00 0.00 H new ATOM 431 N ASP A 31 -6.925 -1.598 -10.473 1.00 0.00 N ATOM 432 CA ASP A 31 -6.538 -2.965 -10.130 1.00 0.00 C ATOM 433 C ASP A 31 -5.703 -3.612 -11.237 1.00 0.00 C ATOM 434 O ASP A 31 -6.138 -4.566 -11.885 1.00 0.00 O ATOM 435 CB ASP A 31 -7.786 -3.799 -9.832 1.00 0.00 C ATOM 436 CG ASP A 31 -7.480 -5.037 -9.005 1.00 0.00 C ATOM 437 OD1 ASP A 31 -6.830 -4.900 -7.945 1.00 0.00 O ATOM 438 OD2 ASP A 31 -7.891 -6.143 -9.415 1.00 0.00 O ATOM 0 H ASP A 31 -6.687 -0.908 -9.760 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.913 -2.927 -9.238 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.512 -3.183 -9.301 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.250 -4.100 -10.771 1.00 0.00 H new ATOM 443 N LEU A 32 -4.497 -3.083 -11.447 1.00 0.00 N ATOM 444 CA LEU A 32 -3.596 -3.607 -12.473 1.00 0.00 C ATOM 445 C LEU A 32 -2.295 -4.139 -11.857 1.00 0.00 C ATOM 446 O LEU A 32 -1.223 -4.017 -12.457 1.00 0.00 O ATOM 447 CB LEU A 32 -3.280 -2.520 -13.510 1.00 0.00 C ATOM 448 CG LEU A 32 -4.277 -2.409 -14.668 1.00 0.00 C ATOM 449 CD1 LEU A 32 -4.848 -1.001 -14.748 1.00 0.00 C ATOM 450 CD2 LEU A 32 -3.612 -2.791 -15.985 1.00 0.00 C ATOM 0 H LEU A 32 -4.122 -2.293 -10.921 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.101 -4.438 -12.966 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.232 -1.558 -13.000 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.289 -2.712 -13.922 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.097 -3.103 -14.483 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.554 -0.941 -15.576 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.361 -0.763 -13.816 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.039 -0.289 -14.909 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.335 -2.706 -16.796 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.773 -2.122 -16.176 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.252 -3.818 -15.926 1.00 0.00 H new ATOM 462 N SER A 33 -2.391 -4.737 -10.666 1.00 0.00 N ATOM 463 CA SER A 33 -1.217 -5.291 -9.990 1.00 0.00 C ATOM 464 C SER A 33 -1.249 -6.820 -10.024 1.00 0.00 C ATOM 465 O SER A 33 -2.315 -7.423 -9.903 1.00 0.00 O ATOM 466 CB SER A 33 -1.146 -4.811 -8.534 1.00 0.00 C ATOM 467 OG SER A 33 -1.246 -3.399 -8.439 1.00 0.00 O ATOM 0 H SER A 33 -3.265 -4.849 -10.153 1.00 0.00 H new ATOM 0 HA SER A 33 -0.332 -4.940 -10.520 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.950 -5.272 -7.960 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.207 -5.140 -8.088 1.00 0.00 H new ATOM 0 HG SER A 33 -1.199 -3.130 -7.498 1.00 0.00 H new ATOM 473 N PRO A 34 -0.077 -7.472 -10.183 1.00 0.00 N ATOM 474 CA PRO A 34 0.015 -8.939 -10.225 1.00 0.00 C ATOM 475 C PRO A 34 -0.374 -9.595 -8.897 1.00 0.00 C ATOM 476 O PRO A 34 -0.920 -10.699 -8.881 1.00 0.00 O ATOM 477 CB PRO A 34 1.493 -9.201 -10.541 1.00 0.00 C ATOM 478 CG PRO A 34 2.203 -7.971 -10.096 1.00 0.00 C ATOM 479 CD PRO A 34 1.246 -6.835 -10.327 1.00 0.00 C ATOM 0 HA PRO A 34 -0.672 -9.362 -10.958 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.860 -10.082 -10.014 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.644 -9.381 -11.605 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.481 -8.040 -9.044 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.124 -7.826 -10.660 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.389 -6.035 -9.601 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.375 -6.395 -11.316 1.00 0.00 H new ATOM 487 N HIS A 35 -0.092 -8.910 -7.785 1.00 0.00 N ATOM 488 CA HIS A 35 -0.419 -9.436 -6.459 1.00 0.00 C ATOM 489 C HIS A 35 -1.905 -9.252 -6.141 1.00 0.00 C ATOM 490 O HIS A 35 -2.544 -10.157 -5.600 1.00 0.00 O ATOM 491 CB HIS A 35 0.435 -8.754 -5.383 1.00 0.00 C ATOM 492 CG HIS A 35 1.251 -9.712 -4.568 1.00 0.00 C ATOM 493 ND1 HIS A 35 2.304 -10.436 -5.089 1.00 0.00 N ATOM 494 CD2 HIS A 35 1.164 -10.065 -3.263 1.00 0.00 C ATOM 495 CE1 HIS A 35 2.828 -11.192 -4.140 1.00 0.00 C ATOM 496 NE2 HIS A 35 2.156 -10.985 -3.023 1.00 0.00 N ATOM 0 H HIS A 35 0.359 -7.995 -7.777 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.199 -10.504 -6.463 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.102 -8.037 -5.861 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -0.217 -8.188 -4.718 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.448 -9.693 -2.545 1.00 0.00 H new ATOM 0 HE1 HIS A 35 3.664 -11.865 -4.258 1.00 0.00 H new ATOM 0 HE2 HIS A 35 2.343 -11.435 -2.127 1.00 0.00 H new ATOM 505 N GLU A 36 -2.445 -8.075 -6.478 1.00 0.00 N ATOM 506 CA GLU A 36 -3.853 -7.757 -6.233 1.00 0.00 C ATOM 507 C GLU A 36 -4.180 -7.865 -4.744 1.00 0.00 C ATOM 508 O GLU A 36 -4.715 -8.876 -4.280 1.00 0.00 O ATOM 509 CB GLU A 36 -4.765 -8.676 -7.058 1.00 0.00 C ATOM 510 CG GLU A 36 -5.778 -7.926 -7.909 1.00 0.00 C ATOM 511 CD GLU A 36 -6.038 -8.604 -9.238 1.00 0.00 C ATOM 512 OE1 GLU A 36 -5.248 -8.384 -10.181 1.00 0.00 O ATOM 513 OE2 GLU A 36 -7.032 -9.354 -9.338 1.00 0.00 O ATOM 0 H GLU A 36 -1.921 -7.322 -6.925 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.031 -6.728 -6.546 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.148 -9.298 -7.707 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.296 -9.347 -6.383 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.716 -7.840 -7.360 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.418 -6.912 -8.087 1.00 0.00 H new ATOM 520 N VAL A 37 -3.836 -6.817 -3.995 1.00 0.00 N ATOM 521 CA VAL A 37 -4.075 -6.795 -2.556 1.00 0.00 C ATOM 522 C VAL A 37 -4.649 -5.456 -2.089 1.00 0.00 C ATOM 523 O VAL A 37 -4.473 -4.429 -2.748 1.00 0.00 O ATOM 524 CB VAL A 37 -2.773 -7.080 -1.777 1.00 0.00 C ATOM 525 CG1 VAL A 37 -2.318 -8.513 -1.995 1.00 0.00 C ATOM 526 CG2 VAL A 37 -1.677 -6.104 -2.182 1.00 0.00 C ATOM 0 H VAL A 37 -3.392 -5.975 -4.362 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.806 -7.577 -2.352 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.977 -6.943 -0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.399 -8.692 -1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.092 -9.197 -1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.136 -8.679 -3.057 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.769 -6.323 -1.621 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.477 -6.204 -3.249 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.999 -5.085 -1.967 1.00 0.00 H new ATOM 536 N THR A 38 -5.323 -5.479 -0.936 1.00 0.00 N ATOM 537 CA THR A 38 -5.915 -4.273 -0.359 1.00 0.00 C ATOM 538 C THR A 38 -4.984 -3.680 0.692 1.00 0.00 C ATOM 539 O THR A 38 -4.681 -4.322 1.700 1.00 0.00 O ATOM 540 CB THR A 38 -7.282 -4.581 0.264 1.00 0.00 C ATOM 541 OG1 THR A 38 -8.170 -5.111 -0.705 1.00 0.00 O ATOM 542 CG2 THR A 38 -7.950 -3.369 0.884 1.00 0.00 C ATOM 0 H THR A 38 -5.472 -6.323 -0.384 1.00 0.00 H new ATOM 0 HA THR A 38 -6.057 -3.547 -1.159 1.00 0.00 H new ATOM 0 HB THR A 38 -7.079 -5.306 1.052 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.035 -5.302 -0.286 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.912 -3.660 1.305 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.315 -2.967 1.673 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.104 -2.607 0.119 1.00 0.00 H new ATOM 550 N VAL A 39 -4.530 -2.456 0.444 1.00 0.00 N ATOM 551 CA VAL A 39 -3.628 -1.776 1.363 1.00 0.00 C ATOM 552 C VAL A 39 -4.388 -0.832 2.294 1.00 0.00 C ATOM 553 O VAL A 39 -5.191 -0.011 1.844 1.00 0.00 O ATOM 554 CB VAL A 39 -2.539 -0.990 0.598 1.00 0.00 C ATOM 555 CG1 VAL A 39 -3.154 0.095 -0.276 1.00 0.00 C ATOM 556 CG2 VAL A 39 -1.527 -0.397 1.566 1.00 0.00 C ATOM 0 H VAL A 39 -4.773 -1.915 -0.386 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.147 -2.546 1.966 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.018 -1.688 -0.057 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.363 0.631 -0.801 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.828 -0.361 -1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.712 0.793 0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.769 0.152 1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.034 0.281 2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.052 -1.198 2.132 1.00 0.00 H new ATOM 566 N LEU A 40 -4.123 -0.953 3.595 1.00 0.00 N ATOM 567 CA LEU A 40 -4.773 -0.110 4.593 1.00 0.00 C ATOM 568 C LEU A 40 -3.734 0.651 5.411 1.00 0.00 C ATOM 569 O LEU A 40 -2.587 0.217 5.524 1.00 0.00 O ATOM 570 CB LEU A 40 -5.660 -0.951 5.520 1.00 0.00 C ATOM 571 CG LEU A 40 -4.931 -2.057 6.298 1.00 0.00 C ATOM 572 CD1 LEU A 40 -5.517 -2.216 7.695 1.00 0.00 C ATOM 573 CD2 LEU A 40 -4.993 -3.377 5.540 1.00 0.00 C ATOM 0 H LEU A 40 -3.462 -1.628 3.980 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.402 0.610 4.069 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.145 -0.286 6.234 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.450 -1.408 4.924 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.886 -1.766 6.399 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.984 -3.005 8.226 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.415 -1.278 8.241 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.572 -2.479 7.619 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.471 -4.147 6.108 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.034 -3.670 5.403 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.518 -3.260 4.566 1.00 0.00 H new ATOM 585 N VAL A 41 -4.146 1.783 5.980 1.00 0.00 N ATOM 586 CA VAL A 41 -3.255 2.610 6.788 1.00 0.00 C ATOM 587 C VAL A 41 -3.762 2.723 8.222 1.00 0.00 C ATOM 588 O VAL A 41 -4.889 3.164 8.460 1.00 0.00 O ATOM 589 CB VAL A 41 -3.107 4.031 6.203 1.00 0.00 C ATOM 590 CG1 VAL A 41 -2.068 4.829 6.981 1.00 0.00 C ATOM 591 CG2 VAL A 41 -2.748 3.979 4.724 1.00 0.00 C ATOM 0 H VAL A 41 -5.095 2.148 5.895 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.282 2.118 6.779 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.069 4.535 6.299 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.980 5.827 6.552 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.376 4.908 8.024 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.104 4.323 6.925 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.650 4.993 4.338 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.804 3.449 4.597 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.533 3.457 4.177 1.00 0.00 H new ATOM 601 N ASP A 42 -2.918 2.331 9.172 1.00 0.00 N ATOM 602 CA ASP A 42 -3.263 2.396 10.585 1.00 0.00 C ATOM 603 C ASP A 42 -3.068 3.813 11.119 1.00 0.00 C ATOM 604 O ASP A 42 -2.113 4.499 10.748 1.00 0.00 O ATOM 605 CB ASP A 42 -2.425 1.395 11.393 1.00 0.00 C ATOM 606 CG ASP A 42 -0.941 1.447 11.070 1.00 0.00 C ATOM 607 OD1 ASP A 42 -0.256 2.368 11.565 1.00 0.00 O ATOM 608 OD2 ASP A 42 -0.463 0.559 10.329 1.00 0.00 O ATOM 0 H ASP A 42 -1.985 1.963 8.985 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.314 2.129 10.694 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.564 1.591 12.456 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.795 0.387 11.204 1.00 0.00 H new ATOM 613 N GLY A 43 -3.987 4.246 11.979 1.00 0.00 N ATOM 614 CA GLY A 43 -3.914 5.584 12.551 1.00 0.00 C ATOM 615 C GLY A 43 -2.716 5.762 13.470 1.00 0.00 C ATOM 616 O GLY A 43 -2.834 5.612 14.688 1.00 0.00 O ATOM 0 H GLY A 43 -4.785 3.693 12.292 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.862 6.317 11.746 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.828 5.787 13.108 1.00 0.00 H new ATOM 620 N ARG A 44 -1.560 6.083 12.882 1.00 0.00 N ATOM 621 CA ARG A 44 -0.328 6.283 13.646 1.00 0.00 C ATOM 622 C ARG A 44 0.100 7.748 13.616 1.00 0.00 C ATOM 623 O ARG A 44 -0.106 8.440 12.618 1.00 0.00 O ATOM 624 CB ARG A 44 0.802 5.411 13.086 1.00 0.00 C ATOM 625 CG ARG A 44 1.583 4.661 14.154 1.00 0.00 C ATOM 626 CD ARG A 44 1.768 3.200 13.784 1.00 0.00 C ATOM 627 NE ARG A 44 0.816 2.343 14.484 1.00 0.00 N ATOM 628 CZ ARG A 44 0.947 1.968 15.758 1.00 0.00 C ATOM 629 NH1 ARG A 44 1.981 2.392 16.484 1.00 0.00 N ATOM 630 NH2 ARG A 44 0.034 1.182 16.313 1.00 0.00 N ATOM 0 H ARG A 44 -1.453 6.210 11.876 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.528 5.994 14.678 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.380 4.691 12.385 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.489 6.041 12.521 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.558 5.129 14.290 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.059 4.733 15.107 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.645 3.078 12.708 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.784 2.889 14.026 1.00 0.00 H new ATOM 0 HE ARG A 44 0.001 2.011 13.968 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.679 3.007 16.067 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.074 2.101 17.457 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.767 0.865 15.766 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.133 0.894 17.287 1.00 0.00 H new ATOM 644 N PRO A 45 0.710 8.238 14.715 1.00 0.00 N ATOM 645 CA PRO A 45 1.173 9.626 14.810 1.00 0.00 C ATOM 646 C PRO A 45 2.412 9.883 13.952 1.00 0.00 C ATOM 647 O PRO A 45 3.508 10.109 14.470 1.00 0.00 O ATOM 648 CB PRO A 45 1.498 9.788 16.296 1.00 0.00 C ATOM 649 CG PRO A 45 1.846 8.416 16.758 1.00 0.00 C ATOM 650 CD PRO A 45 0.996 7.475 15.948 1.00 0.00 C ATOM 0 HA PRO A 45 0.428 10.334 14.446 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.327 10.479 16.447 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.646 10.187 16.847 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.906 8.211 16.608 1.00 0.00 H new ATOM 0 HG3 PRO A 45 1.647 8.301 17.824 1.00 0.00 H new ATOM 0 HD2 PRO A 45 1.522 6.545 15.731 1.00 0.00 H new ATOM 0 HD3 PRO A 45 0.080 7.207 16.475 1.00 0.00 H new ATOM 658 N VAL A 46 2.226 9.846 12.635 1.00 0.00 N ATOM 659 CA VAL A 46 3.319 10.074 11.697 1.00 0.00 C ATOM 660 C VAL A 46 2.905 11.061 10.605 1.00 0.00 C ATOM 661 O VAL A 46 2.077 10.740 9.752 1.00 0.00 O ATOM 662 CB VAL A 46 3.794 8.758 11.041 1.00 0.00 C ATOM 663 CG1 VAL A 46 4.548 7.899 12.046 1.00 0.00 C ATOM 664 CG2 VAL A 46 2.620 7.987 10.450 1.00 0.00 C ATOM 0 H VAL A 46 1.326 9.660 12.193 1.00 0.00 H new ATOM 0 HA VAL A 46 4.145 10.494 12.271 1.00 0.00 H new ATOM 0 HB VAL A 46 4.473 9.013 10.228 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.874 6.977 11.564 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.418 8.445 12.411 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.893 7.659 12.883 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.982 7.065 9.995 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.908 7.746 11.240 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.129 8.597 9.692 1.00 0.00 H new ATOM 674 N PRO A 47 3.474 12.282 10.622 1.00 0.00 N ATOM 675 CA PRO A 47 3.156 13.316 9.630 1.00 0.00 C ATOM 676 C PRO A 47 3.672 12.959 8.236 1.00 0.00 C ATOM 677 O PRO A 47 4.775 13.351 7.851 1.00 0.00 O ATOM 678 CB PRO A 47 3.865 14.564 10.168 1.00 0.00 C ATOM 679 CG PRO A 47 4.966 14.041 11.025 1.00 0.00 C ATOM 680 CD PRO A 47 4.464 12.751 11.612 1.00 0.00 C ATOM 0 HA PRO A 47 2.081 13.447 9.508 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.254 15.178 9.356 1.00 0.00 H new ATOM 0 HB3 PRO A 47 3.182 15.190 10.742 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.870 13.876 10.439 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.220 14.753 11.810 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.271 12.030 11.745 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.010 12.906 12.591 1.00 0.00 H new ATOM 688 N GLU A 48 2.865 12.209 7.482 1.00 0.00 N ATOM 689 CA GLU A 48 3.240 11.802 6.127 1.00 0.00 C ATOM 690 C GLU A 48 3.274 12.999 5.166 1.00 0.00 C ATOM 691 O GLU A 48 3.806 12.892 4.059 1.00 0.00 O ATOM 692 CB GLU A 48 2.288 10.724 5.597 1.00 0.00 C ATOM 693 CG GLU A 48 0.814 11.090 5.697 1.00 0.00 C ATOM 694 CD GLU A 48 0.027 10.665 4.471 1.00 0.00 C ATOM 695 OE1 GLU A 48 -0.218 9.449 4.315 1.00 0.00 O ATOM 696 OE2 GLU A 48 -0.342 11.548 3.667 1.00 0.00 O ATOM 0 H GLU A 48 1.951 11.873 7.786 1.00 0.00 H new ATOM 0 HA GLU A 48 4.246 11.385 6.181 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.531 10.522 4.554 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.460 9.800 6.149 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.385 10.619 6.582 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.718 12.167 5.831 1.00 0.00 H new ATOM 703 N ASP A 49 2.710 14.136 5.593 1.00 0.00 N ATOM 704 CA ASP A 49 2.686 15.344 4.768 1.00 0.00 C ATOM 705 C ASP A 49 3.949 16.197 4.971 1.00 0.00 C ATOM 706 O ASP A 49 3.960 17.383 4.633 1.00 0.00 O ATOM 707 CB ASP A 49 1.440 16.179 5.091 1.00 0.00 C ATOM 708 CG ASP A 49 0.228 15.769 4.273 1.00 0.00 C ATOM 709 OD1 ASP A 49 -0.197 14.599 4.386 1.00 0.00 O ATOM 710 OD2 ASP A 49 -0.300 16.622 3.526 1.00 0.00 O ATOM 0 H ASP A 49 2.265 14.242 6.505 1.00 0.00 H new ATOM 0 HA ASP A 49 2.656 15.029 3.725 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.207 16.080 6.151 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.656 17.232 4.909 1.00 0.00 H new ATOM 715 N GLN A 50 5.011 15.595 5.515 1.00 0.00 N ATOM 716 CA GLN A 50 6.263 16.313 5.746 1.00 0.00 C ATOM 717 C GLN A 50 7.206 16.164 4.551 1.00 0.00 C ATOM 718 O GLN A 50 7.372 17.097 3.763 1.00 0.00 O ATOM 719 CB GLN A 50 6.943 15.806 7.024 1.00 0.00 C ATOM 720 CG GLN A 50 6.873 16.788 8.183 1.00 0.00 C ATOM 721 CD GLN A 50 7.857 17.934 8.040 1.00 0.00 C ATOM 722 OE1 GLN A 50 9.050 17.721 7.823 1.00 0.00 O ATOM 723 NE2 GLN A 50 7.363 19.162 8.165 1.00 0.00 N ATOM 0 H GLN A 50 5.027 14.616 5.802 1.00 0.00 H new ATOM 0 HA GLN A 50 6.029 17.371 5.868 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.477 14.868 7.325 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.989 15.587 6.807 1.00 0.00 H new ATOM 0 HG2 GLN A 50 5.862 17.189 8.253 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.071 16.259 9.115 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.368 19.296 8.345 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.979 19.971 8.081 1.00 0.00 H new ATOM 732 N SER A 51 7.816 14.984 4.420 1.00 0.00 N ATOM 733 CA SER A 51 8.735 14.709 3.321 1.00 0.00 C ATOM 734 C SER A 51 8.286 13.473 2.548 1.00 0.00 C ATOM 735 O SER A 51 7.953 12.452 3.151 1.00 0.00 O ATOM 736 CB SER A 51 10.156 14.513 3.854 1.00 0.00 C ATOM 737 OG SER A 51 10.932 15.689 3.679 1.00 0.00 O ATOM 0 H SER A 51 7.688 14.204 5.065 1.00 0.00 H new ATOM 0 HA SER A 51 8.730 15.563 2.644 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.119 14.252 4.912 1.00 0.00 H new ATOM 0 HB3 SER A 51 10.631 13.679 3.336 1.00 0.00 H new ATOM 0 HG SER A 51 11.835 15.540 4.029 1.00 0.00 H new ATOM 743 N VAL A 52 8.264 13.587 1.212 1.00 0.00 N ATOM 744 CA VAL A 52 7.839 12.498 0.327 1.00 0.00 C ATOM 745 C VAL A 52 6.529 11.873 0.814 1.00 0.00 C ATOM 746 O VAL A 52 6.525 10.996 1.675 1.00 0.00 O ATOM 747 CB VAL A 52 8.933 11.410 0.149 1.00 0.00 C ATOM 748 CG1 VAL A 52 9.430 10.876 1.486 1.00 0.00 C ATOM 749 CG2 VAL A 52 8.417 10.277 -0.727 1.00 0.00 C ATOM 0 H VAL A 52 8.540 14.435 0.718 1.00 0.00 H new ATOM 0 HA VAL A 52 7.671 12.943 -0.654 1.00 0.00 H new ATOM 0 HB VAL A 52 9.784 11.878 -0.346 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.194 10.118 1.314 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.855 11.693 2.069 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.597 10.434 2.034 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.195 9.523 -0.842 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.541 9.826 -0.260 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.145 10.670 -1.707 1.00 0.00 H new ATOM 759 N GLU A 53 5.421 12.363 0.260 1.00 0.00 N ATOM 760 CA GLU A 53 4.078 11.899 0.625 1.00 0.00 C ATOM 761 C GLU A 53 3.941 10.380 0.486 1.00 0.00 C ATOM 762 O GLU A 53 3.437 9.875 -0.519 1.00 0.00 O ATOM 763 CB GLU A 53 3.014 12.609 -0.227 1.00 0.00 C ATOM 764 CG GLU A 53 3.369 12.710 -1.708 1.00 0.00 C ATOM 765 CD GLU A 53 2.217 13.201 -2.572 1.00 0.00 C ATOM 766 OE1 GLU A 53 1.048 12.904 -2.245 1.00 0.00 O ATOM 767 OE2 GLU A 53 2.491 13.882 -3.584 1.00 0.00 O ATOM 0 H GLU A 53 5.426 13.092 -0.454 1.00 0.00 H new ATOM 0 HA GLU A 53 3.921 12.150 1.674 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.068 12.076 -0.126 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.858 13.613 0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.216 13.386 -1.826 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.690 11.731 -2.065 1.00 0.00 H new ATOM 774 N VAL A 54 4.394 9.668 1.516 1.00 0.00 N ATOM 775 CA VAL A 54 4.337 8.209 1.546 1.00 0.00 C ATOM 776 C VAL A 54 4.119 7.697 2.968 1.00 0.00 C ATOM 777 O VAL A 54 4.371 8.411 3.943 1.00 0.00 O ATOM 778 CB VAL A 54 5.637 7.574 1.010 1.00 0.00 C ATOM 779 CG1 VAL A 54 5.808 7.848 -0.476 1.00 0.00 C ATOM 780 CG2 VAL A 54 6.840 8.080 1.799 1.00 0.00 C ATOM 0 H VAL A 54 4.809 10.084 2.350 1.00 0.00 H new ATOM 0 HA VAL A 54 3.500 7.923 0.908 1.00 0.00 H new ATOM 0 HB VAL A 54 5.568 6.494 1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.732 7.389 -0.827 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.964 7.428 -1.023 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.851 8.924 -0.645 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.749 7.623 1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.909 9.164 1.703 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.723 7.816 2.850 1.00 0.00 H new ATOM 790 N ASP A 55 3.679 6.444 3.074 1.00 0.00 N ATOM 791 CA ASP A 55 3.453 5.812 4.369 1.00 0.00 C ATOM 792 C ASP A 55 3.686 4.306 4.278 1.00 0.00 C ATOM 793 O ASP A 55 3.340 3.680 3.275 1.00 0.00 O ATOM 794 CB ASP A 55 2.034 6.099 4.874 1.00 0.00 C ATOM 795 CG ASP A 55 1.957 6.259 6.386 1.00 0.00 C ATOM 796 OD1 ASP A 55 3.011 6.482 7.026 1.00 0.00 O ATOM 797 OD2 ASP A 55 0.840 6.160 6.932 1.00 0.00 O ATOM 0 H ASP A 55 3.472 5.846 2.274 1.00 0.00 H new ATOM 0 HA ASP A 55 4.164 6.233 5.080 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.663 7.008 4.400 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.375 5.287 4.567 1.00 0.00 H new ATOM 802 N ARG A 56 4.259 3.727 5.332 1.00 0.00 N ATOM 803 CA ARG A 56 4.526 2.290 5.365 1.00 0.00 C ATOM 804 C ARG A 56 3.374 1.563 6.051 1.00 0.00 C ATOM 805 O ARG A 56 3.000 1.894 7.179 1.00 0.00 O ATOM 806 CB ARG A 56 5.837 2.002 6.100 1.00 0.00 C ATOM 807 CG ARG A 56 6.106 0.519 6.320 1.00 0.00 C ATOM 808 CD ARG A 56 7.520 0.277 6.831 1.00 0.00 C ATOM 809 NE ARG A 56 8.536 0.632 5.837 1.00 0.00 N ATOM 810 CZ ARG A 56 9.108 1.839 5.741 1.00 0.00 C ATOM 811 NH1 ARG A 56 8.782 2.815 6.587 1.00 0.00 N ATOM 812 NH2 ARG A 56 10.014 2.069 4.797 1.00 0.00 N ATOM 0 H ARG A 56 4.547 4.229 6.172 1.00 0.00 H new ATOM 0 HA ARG A 56 4.618 1.931 4.340 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.663 2.431 5.532 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.819 2.506 7.066 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.387 0.120 7.035 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.959 -0.021 5.385 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.682 0.860 7.738 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.632 -0.773 7.103 1.00 0.00 H new ATOM 0 HE ARG A 56 8.827 -0.087 5.175 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.090 2.647 7.317 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.224 3.730 6.504 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.273 1.327 4.147 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.451 2.988 4.722 1.00 0.00 H new ATOM 826 N VAL A 57 2.806 0.584 5.354 1.00 0.00 N ATOM 827 CA VAL A 57 1.681 -0.184 5.876 1.00 0.00 C ATOM 828 C VAL A 57 1.840 -1.675 5.588 1.00 0.00 C ATOM 829 O VAL A 57 2.690 -2.075 4.795 1.00 0.00 O ATOM 830 CB VAL A 57 0.351 0.308 5.272 1.00 0.00 C ATOM 831 CG1 VAL A 57 -0.030 1.666 5.846 1.00 0.00 C ATOM 832 CG2 VAL A 57 0.444 0.371 3.754 1.00 0.00 C ATOM 0 H VAL A 57 3.108 0.303 4.421 1.00 0.00 H new ATOM 0 HA VAL A 57 1.667 -0.033 6.955 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.430 -0.404 5.537 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.972 1.995 5.407 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.142 1.585 6.927 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.751 2.391 5.615 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.504 0.720 3.346 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.239 1.059 3.466 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.664 -0.622 3.361 1.00 0.00 H new ATOM 842 N LYS A 58 1.010 -2.492 6.234 1.00 0.00 N ATOM 843 CA LYS A 58 1.047 -3.942 6.039 1.00 0.00 C ATOM 844 C LYS A 58 -0.094 -4.390 5.128 1.00 0.00 C ATOM 845 O LYS A 58 -1.237 -3.959 5.294 1.00 0.00 O ATOM 846 CB LYS A 58 0.967 -4.674 7.382 1.00 0.00 C ATOM 847 CG LYS A 58 0.040 -4.011 8.392 1.00 0.00 C ATOM 848 CD LYS A 58 0.027 -4.763 9.715 1.00 0.00 C ATOM 849 CE LYS A 58 1.393 -4.729 10.389 1.00 0.00 C ATOM 850 NZ LYS A 58 1.304 -4.333 11.825 1.00 0.00 N ATOM 0 H LYS A 58 0.303 -2.175 6.898 1.00 0.00 H new ATOM 0 HA LYS A 58 1.995 -4.194 5.564 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.628 -5.695 7.208 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.968 -4.739 7.810 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.359 -2.982 8.560 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.971 -3.969 7.986 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.718 -4.323 10.378 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.270 -5.798 9.544 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.858 -5.712 10.313 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.040 -4.029 9.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.257 -4.324 12.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.885 -3.384 11.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.709 -5.015 12.337 1.00 0.00 H new ATOM 864 N VAL A 59 0.225 -5.248 4.160 1.00 0.00 N ATOM 865 CA VAL A 59 -0.770 -5.746 3.213 1.00 0.00 C ATOM 866 C VAL A 59 -0.829 -7.273 3.211 1.00 0.00 C ATOM 867 O VAL A 59 0.196 -7.943 3.326 1.00 0.00 O ATOM 868 CB VAL A 59 -0.476 -5.257 1.779 1.00 0.00 C ATOM 869 CG1 VAL A 59 -1.626 -5.601 0.847 1.00 0.00 C ATOM 870 CG2 VAL A 59 -0.205 -3.759 1.757 1.00 0.00 C ATOM 0 H VAL A 59 1.166 -5.613 4.011 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.732 -5.351 3.539 1.00 0.00 H new ATOM 0 HB VAL A 59 0.419 -5.770 1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.398 -5.247 -0.158 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.768 -6.682 0.828 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.538 -5.121 1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.001 -3.441 0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.077 -3.226 2.135 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.657 -3.536 2.385 1.00 0.00 H new ATOM 880 N LEU A 60 -2.039 -7.816 3.073 1.00 0.00 N ATOM 881 CA LEU A 60 -2.237 -9.262 3.047 1.00 0.00 C ATOM 882 C LEU A 60 -2.255 -9.781 1.609 1.00 0.00 C ATOM 883 O LEU A 60 -3.154 -9.452 0.833 1.00 0.00 O ATOM 884 CB LEU A 60 -3.542 -9.630 3.758 1.00 0.00 C ATOM 885 CG LEU A 60 -3.471 -9.605 5.288 1.00 0.00 C ATOM 886 CD1 LEU A 60 -4.506 -8.645 5.856 1.00 0.00 C ATOM 887 CD2 LEU A 60 -3.661 -11.005 5.860 1.00 0.00 C ATOM 0 H LEU A 60 -2.897 -7.273 2.977 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.404 -9.731 3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.322 -8.942 3.434 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.844 -10.628 3.439 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.482 -9.252 5.579 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.440 -8.641 6.944 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.317 -7.641 5.477 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.503 -8.965 5.554 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.607 -10.964 6.948 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.635 -11.392 5.559 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.877 -11.662 5.482 1.00 0.00 H new ATOM 899 N ARG A 61 -1.249 -10.585 1.262 1.00 0.00 N ATOM 900 CA ARG A 61 -1.132 -11.149 -0.087 1.00 0.00 C ATOM 901 C ARG A 61 -2.329 -12.039 -0.439 1.00 0.00 C ATOM 902 O ARG A 61 -2.651 -12.977 0.293 1.00 0.00 O ATOM 903 CB ARG A 61 0.175 -11.945 -0.223 1.00 0.00 C ATOM 904 CG ARG A 61 0.449 -12.903 0.931 1.00 0.00 C ATOM 905 CD ARG A 61 0.789 -14.299 0.430 1.00 0.00 C ATOM 906 NE ARG A 61 0.681 -15.303 1.488 1.00 0.00 N ATOM 907 CZ ARG A 61 -0.479 -15.760 1.970 1.00 0.00 C ATOM 908 NH1 ARG A 61 -1.635 -15.299 1.497 1.00 0.00 N ATOM 909 NH2 ARG A 61 -0.481 -16.680 2.930 1.00 0.00 N ATOM 0 H ARG A 61 -0.501 -10.862 1.897 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.120 -10.315 -0.789 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.145 -12.513 -1.153 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.006 -11.245 -0.304 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.273 -12.521 1.534 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.425 -12.951 1.580 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.120 -14.563 -0.389 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.802 -14.303 0.029 1.00 0.00 H new ATOM 0 HE ARG A 61 1.544 -15.678 1.882 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.640 -14.592 0.762 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.516 -15.653 1.870 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.402 -17.036 3.297 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.365 -17.030 3.299 1.00 0.00 H new ATOM 923 N LEU A 62 -2.975 -11.736 -1.575 1.00 0.00 N ATOM 924 CA LEU A 62 -4.133 -12.496 -2.055 1.00 0.00 C ATOM 925 C LEU A 62 -5.288 -12.460 -1.048 1.00 0.00 C ATOM 926 O LEU A 62 -5.322 -13.250 -0.102 1.00 0.00 O ATOM 927 CB LEU A 62 -3.737 -13.948 -2.359 1.00 0.00 C ATOM 928 CG LEU A 62 -3.522 -14.269 -3.842 1.00 0.00 C ATOM 929 CD1 LEU A 62 -2.565 -15.442 -4.005 1.00 0.00 C ATOM 930 CD2 LEU A 62 -4.851 -14.566 -4.526 1.00 0.00 C ATOM 0 H LEU A 62 -2.709 -10.961 -2.182 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.477 -12.024 -2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.820 -14.179 -1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.512 -14.608 -1.969 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.078 -13.395 -4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.426 -15.654 -5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.604 -15.192 -3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.979 -16.321 -3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.676 -14.791 -5.578 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.324 -15.422 -4.045 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.504 -13.697 -4.445 1.00 0.00 H new ATOM 942 N ILE A 63 -6.236 -11.541 -1.263 1.00 0.00 N ATOM 943 CA ILE A 63 -7.398 -11.407 -0.378 1.00 0.00 C ATOM 944 C ILE A 63 -8.668 -11.061 -1.162 1.00 0.00 C ATOM 945 O ILE A 63 -8.613 -10.363 -2.176 1.00 0.00 O ATOM 946 CB ILE A 63 -7.169 -10.336 0.716 1.00 0.00 C ATOM 947 CG1 ILE A 63 -6.838 -8.976 0.093 1.00 0.00 C ATOM 948 CG2 ILE A 63 -6.059 -10.770 1.662 1.00 0.00 C ATOM 949 CD1 ILE A 63 -7.063 -7.810 1.033 1.00 0.00 C ATOM 0 H ILE A 63 -6.221 -10.881 -2.040 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.529 -12.377 0.101 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.093 -10.232 1.285 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.797 -8.977 -0.229 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.448 -8.836 -0.799 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.911 -10.005 2.425 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.335 -11.710 2.139 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.135 -10.906 1.100 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.809 -6.879 0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.110 -7.784 1.336 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.433 -7.927 1.915 1.00 0.00 H new ATOM 961 N LYS A 64 -9.812 -11.555 -0.676 1.00 0.00 N ATOM 962 CA LYS A 64 -11.104 -11.303 -1.319 1.00 0.00 C ATOM 963 C LYS A 64 -11.898 -10.245 -0.552 1.00 0.00 C ATOM 964 O LYS A 64 -11.716 -10.076 0.657 1.00 0.00 O ATOM 965 CB LYS A 64 -11.918 -12.602 -1.408 1.00 0.00 C ATOM 966 CG LYS A 64 -12.677 -12.764 -2.719 1.00 0.00 C ATOM 967 CD LYS A 64 -14.174 -12.554 -2.532 1.00 0.00 C ATOM 968 CE LYS A 64 -14.918 -13.879 -2.428 1.00 0.00 C ATOM 969 NZ LYS A 64 -16.387 -13.685 -2.265 1.00 0.00 N ATOM 0 H LYS A 64 -9.868 -12.133 0.163 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.913 -10.931 -2.326 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.246 -13.450 -1.281 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.628 -12.632 -0.582 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.298 -12.050 -3.450 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.497 -13.760 -3.123 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -14.350 -11.966 -1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.569 -11.979 -3.370 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.728 -14.472 -3.322 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.531 -14.446 -1.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.854 -14.612 -2.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.571 -13.141 -1.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -16.762 -13.167 -3.085 1.00 0.00 H new ATOM 983 N GLY A 65 -12.778 -9.536 -1.262 1.00 0.00 N ATOM 984 CA GLY A 65 -13.587 -8.504 -0.634 1.00 0.00 C ATOM 985 C GLY A 65 -15.030 -8.932 -0.439 1.00 0.00 C ATOM 986 O GLY A 65 -15.739 -9.201 -1.411 1.00 0.00 O ATOM 0 H GLY A 65 -12.944 -9.659 -2.261 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.154 -8.246 0.333 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.559 -7.603 -1.246 1.00 0.00 H new ATOM 990 N GLY A 66 -15.466 -8.994 0.821 1.00 0.00 N ATOM 991 CA GLY A 66 -16.833 -9.392 1.122 1.00 0.00 C ATOM 992 C GLY A 66 -16.997 -9.876 2.551 1.00 0.00 C ATOM 993 O GLY A 66 -16.368 -9.287 3.456 1.00 0.00 O ATOM 0 H GLY A 66 -14.896 -8.775 1.638 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.500 -8.547 0.949 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.137 -10.183 0.437 1.00 0.00 H new TER 997 GLY A 66