USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 462 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 6 SER OG : rot 140:sc= 0 USER MOD Set 1.2: A 48 MET CE :methyl -122:sc= -1.13 (180deg=-2.71!) USER MOD Set 2.1: A 20 TYR OH : rot 180:sc= 0.0393 USER MOD Set 2.2: A 62 ASN : amide:sc= 1.76 K(o=1.8,f=0.34) USER MOD Set 3.1: A 9 THR OG1 : rot -88:sc= 1.06 USER MOD Set 3.2: A 11 ASN : amide:sc= -1.65! C(o=-0.59!,f=-9.5!) USER MOD Set 4.1: A 5 THR OG1 : rot -2:sc= 0.149 USER MOD Set 4.2: A 64 SER OG : rot -50:sc= 0.728 USER MOD Single : A 1 MET CE :methyl 154:sc= -1.6 (180deg=-3.31) USER MOD Single : A 1 MET N :NH3+ -125:sc= -0.96 (180deg=-1.23) USER MOD Single : A 2 THR OG1 : rot -11:sc= -4.55! USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 92:sc= 0.425 USER MOD Single : A 25 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.24) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 30 SER OG : rot 52:sc= 0.0392 USER MOD Single : A 32 TYR OH : rot -165:sc= -8.47! USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.171 K(o=-0.17,f=-13!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS :FLIP no HD1:sc= -0.851 F(o=-5.8!,f=-0.85) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.536 -1.070 -0.521 1.00 0.00 N ATOM 2 CA MET A 1 0.422 -1.756 -1.838 1.00 0.00 C ATOM 3 C MET A 1 1.580 -2.734 -2.000 1.00 0.00 C ATOM 4 O MET A 1 2.740 -2.378 -1.794 1.00 0.00 O ATOM 5 CB MET A 1 0.458 -0.713 -2.957 1.00 0.00 C ATOM 6 CG MET A 1 -0.713 0.257 -2.790 1.00 0.00 C ATOM 7 SD MET A 1 -2.273 -0.656 -2.886 1.00 0.00 S ATOM 8 CE MET A 1 -2.585 -0.759 -1.107 1.00 0.00 C ATOM 0 H1 MET A 1 -0.346 -1.197 0.014 1.00 0.00 H new ATOM 0 H2 MET A 1 1.328 -1.478 0.015 1.00 0.00 H new ATOM 0 H3 MET A 1 0.706 -0.055 -0.672 1.00 0.00 H new ATOM 0 HA MET A 1 -0.519 -2.304 -1.889 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.402 -0.168 -2.930 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.401 -1.204 -3.928 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.639 0.771 -1.832 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.679 1.022 -3.566 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.656 -0.854 -0.930 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.071 -1.629 -0.697 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.215 0.143 -0.620 1.00 0.00 H new ATOM 16 N THR A 2 1.257 -3.970 -2.369 1.00 0.00 N ATOM 17 CA THR A 2 2.279 -4.992 -2.554 1.00 0.00 C ATOM 18 C THR A 2 2.322 -5.447 -4.011 1.00 0.00 C ATOM 19 O THR A 2 1.317 -5.395 -4.719 1.00 0.00 O ATOM 20 CB THR A 2 1.988 -6.190 -1.646 1.00 0.00 C ATOM 21 OG1 THR A 2 3.113 -7.057 -1.633 1.00 0.00 O ATOM 22 CG2 THR A 2 0.770 -6.947 -2.170 1.00 0.00 C ATOM 0 H THR A 2 0.303 -4.285 -2.544 1.00 0.00 H new ATOM 0 HA THR A 2 3.248 -4.567 -2.291 1.00 0.00 H new ATOM 0 HB THR A 2 1.787 -5.837 -0.635 1.00 0.00 H new ATOM 0 HG1 THR A 2 3.741 -6.788 -2.336 1.00 0.00 H new ATOM 0 HG21 THR A 2 0.565 -7.799 -1.522 1.00 0.00 H new ATOM 0 HG22 THR A 2 -0.094 -6.283 -2.181 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.969 -7.300 -3.182 1.00 0.00 H new ATOM 30 N THR A 3 3.500 -5.874 -4.451 1.00 0.00 N ATOM 31 CA THR A 3 3.679 -6.315 -5.831 1.00 0.00 C ATOM 32 C THR A 3 3.420 -7.807 -5.976 1.00 0.00 C ATOM 33 O THR A 3 3.996 -8.625 -5.260 1.00 0.00 O ATOM 34 CB THR A 3 5.105 -6.002 -6.288 1.00 0.00 C ATOM 35 OG1 THR A 3 5.297 -4.595 -6.312 1.00 0.00 O ATOM 36 CG2 THR A 3 5.338 -6.586 -7.680 1.00 0.00 C ATOM 0 H THR A 3 4.341 -5.925 -3.877 1.00 0.00 H new ATOM 0 HA THR A 3 2.959 -5.781 -6.452 1.00 0.00 H new ATOM 0 HB THR A 3 5.817 -6.448 -5.593 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.211 -4.394 -6.603 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.355 -6.362 -8.003 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.197 -7.666 -7.650 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.629 -6.147 -8.382 1.00 0.00 H new ATOM 44 N PHE A 4 2.541 -8.147 -6.913 1.00 0.00 N ATOM 45 CA PHE A 4 2.192 -9.537 -7.161 1.00 0.00 C ATOM 46 C PHE A 4 2.805 -10.009 -8.471 1.00 0.00 C ATOM 47 O PHE A 4 2.797 -9.285 -9.466 1.00 0.00 O ATOM 48 CB PHE A 4 0.672 -9.679 -7.236 1.00 0.00 C ATOM 49 CG PHE A 4 0.051 -9.285 -5.918 1.00 0.00 C ATOM 50 CD1 PHE A 4 -0.101 -10.236 -4.900 1.00 0.00 C ATOM 51 CD2 PHE A 4 -0.380 -7.969 -5.715 1.00 0.00 C ATOM 52 CE1 PHE A 4 -0.683 -9.868 -3.681 1.00 0.00 C ATOM 53 CE2 PHE A 4 -0.962 -7.601 -4.496 1.00 0.00 C ATOM 54 CZ PHE A 4 -1.114 -8.552 -3.479 1.00 0.00 C ATOM 0 H PHE A 4 2.058 -7.477 -7.512 1.00 0.00 H new ATOM 0 HA PHE A 4 2.580 -10.147 -6.345 1.00 0.00 H new ATOM 0 HB2 PHE A 4 0.279 -9.050 -8.035 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.406 -10.708 -7.480 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.231 -11.252 -5.056 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.263 -7.236 -6.500 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -0.799 -10.600 -2.896 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -1.293 -6.585 -4.340 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.564 -8.270 -2.539 1.00 0.00 H new ATOM 64 N THR A 5 3.340 -11.223 -8.464 1.00 0.00 N ATOM 65 CA THR A 5 3.958 -11.768 -9.661 1.00 0.00 C ATOM 66 C THR A 5 3.403 -13.152 -9.985 1.00 0.00 C ATOM 67 O THR A 5 2.953 -13.879 -9.098 1.00 0.00 O ATOM 68 CB THR A 5 5.470 -11.859 -9.458 1.00 0.00 C ATOM 69 OG1 THR A 5 5.748 -12.737 -8.375 1.00 0.00 O ATOM 70 CG2 THR A 5 6.030 -10.470 -9.149 1.00 0.00 C ATOM 0 H THR A 5 3.358 -11.841 -7.653 1.00 0.00 H new ATOM 0 HA THR A 5 3.733 -11.104 -10.496 1.00 0.00 H new ATOM 0 HB THR A 5 5.937 -12.242 -10.366 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.906 -13.050 -7.983 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.108 -10.536 -9.004 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.816 -9.798 -9.980 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.565 -10.084 -8.242 1.00 0.00 H new ATOM 78 N SER A 6 3.447 -13.506 -11.264 1.00 0.00 N ATOM 79 CA SER A 6 2.954 -14.804 -11.707 1.00 0.00 C ATOM 80 C SER A 6 3.628 -15.222 -13.006 1.00 0.00 C ATOM 81 O SER A 6 4.124 -14.384 -13.759 1.00 0.00 O ATOM 82 CB SER A 6 1.441 -14.743 -11.915 1.00 0.00 C ATOM 83 OG SER A 6 1.151 -13.858 -12.990 1.00 0.00 O ATOM 0 H SER A 6 3.817 -12.916 -12.009 1.00 0.00 H new ATOM 0 HA SER A 6 3.188 -15.540 -10.938 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.052 -15.738 -12.132 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.950 -14.400 -11.004 1.00 0.00 H new ATOM 0 HG SER A 6 0.428 -14.232 -13.536 1.00 0.00 H new ATOM 89 N ILE A 7 3.632 -16.523 -13.267 1.00 0.00 N ATOM 90 CA ILE A 7 4.235 -17.054 -14.479 1.00 0.00 C ATOM 91 C ILE A 7 3.452 -18.274 -14.953 1.00 0.00 C ATOM 92 O ILE A 7 2.709 -18.876 -14.179 1.00 0.00 O ATOM 93 CB ILE A 7 5.684 -17.448 -14.204 1.00 0.00 C ATOM 94 CG1 ILE A 7 5.723 -18.515 -13.107 1.00 0.00 C ATOM 95 CG2 ILE A 7 6.472 -16.219 -13.748 1.00 0.00 C ATOM 96 CD1 ILE A 7 7.143 -19.072 -12.987 1.00 0.00 C ATOM 0 H ILE A 7 3.224 -17.229 -12.654 1.00 0.00 H new ATOM 0 HA ILE A 7 4.212 -16.289 -15.255 1.00 0.00 H new ATOM 0 HB ILE A 7 6.130 -17.846 -15.115 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.408 -18.086 -12.156 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.024 -19.318 -13.341 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.506 -16.502 -13.552 1.00 0.00 H new ATOM 0 HG22 ILE A 7 6.445 -15.459 -14.529 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.027 -15.819 -12.837 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.171 -19.832 -12.206 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.441 -19.517 -13.937 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.830 -18.265 -12.733 1.00 0.00 H new ATOM 108 N VAL A 8 3.614 -18.643 -16.220 1.00 0.00 N ATOM 109 CA VAL A 8 2.899 -19.801 -16.741 1.00 0.00 C ATOM 110 C VAL A 8 3.759 -21.057 -16.643 1.00 0.00 C ATOM 111 O VAL A 8 4.673 -21.271 -17.439 1.00 0.00 O ATOM 112 CB VAL A 8 2.509 -19.567 -18.201 1.00 0.00 C ATOM 113 CG1 VAL A 8 1.787 -20.804 -18.737 1.00 0.00 C ATOM 114 CG2 VAL A 8 1.578 -18.356 -18.292 1.00 0.00 C ATOM 0 H VAL A 8 4.219 -18.169 -16.891 1.00 0.00 H new ATOM 0 HA VAL A 8 2.000 -19.941 -16.141 1.00 0.00 H new ATOM 0 HB VAL A 8 3.406 -19.382 -18.793 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.508 -20.640 -19.778 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.448 -21.668 -18.671 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.890 -20.987 -18.145 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.300 -18.189 -19.332 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.681 -18.542 -17.702 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.090 -17.474 -17.907 1.00 0.00 H new ATOM 124 N THR A 9 3.428 -21.894 -15.668 1.00 0.00 N ATOM 125 CA THR A 9 4.128 -23.155 -15.453 1.00 0.00 C ATOM 126 C THR A 9 3.179 -24.127 -14.775 1.00 0.00 C ATOM 127 O THR A 9 2.269 -23.697 -14.065 1.00 0.00 O ATOM 128 CB THR A 9 5.355 -22.940 -14.565 1.00 0.00 C ATOM 129 OG1 THR A 9 6.153 -24.116 -14.571 1.00 0.00 O ATOM 130 CG2 THR A 9 4.900 -22.644 -13.135 1.00 0.00 C ATOM 0 H THR A 9 2.671 -21.720 -15.007 1.00 0.00 H new ATOM 0 HA THR A 9 4.459 -23.553 -16.412 1.00 0.00 H new ATOM 0 HB THR A 9 5.938 -22.101 -14.944 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.852 -24.719 -13.860 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.773 -22.490 -12.500 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.283 -21.745 -13.128 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.319 -23.485 -12.756 1.00 0.00 H new ATOM 138 N THR A 10 3.373 -25.428 -14.953 1.00 0.00 N ATOM 139 CA THR A 10 2.481 -26.360 -14.284 1.00 0.00 C ATOM 140 C THR A 10 3.244 -27.485 -13.598 1.00 0.00 C ATOM 141 O THR A 10 3.569 -28.502 -14.209 1.00 0.00 O ATOM 142 CB THR A 10 1.521 -26.958 -15.309 1.00 0.00 C ATOM 143 OG1 THR A 10 1.240 -28.307 -14.961 1.00 0.00 O ATOM 144 CG2 THR A 10 2.168 -26.905 -16.694 1.00 0.00 C ATOM 0 H THR A 10 4.105 -25.846 -15.528 1.00 0.00 H new ATOM 0 HA THR A 10 1.935 -25.810 -13.518 1.00 0.00 H new ATOM 0 HB THR A 10 0.591 -26.389 -15.321 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.438 -28.339 -14.398 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.487 -27.331 -17.430 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.383 -25.869 -16.956 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.096 -27.477 -16.684 1.00 0.00 H new ATOM 152 N ASN A 11 3.526 -27.281 -12.316 1.00 0.00 N ATOM 153 CA ASN A 11 4.253 -28.269 -11.532 1.00 0.00 C ATOM 154 C ASN A 11 4.061 -28.020 -10.041 1.00 0.00 C ATOM 155 O ASN A 11 5.017 -28.069 -9.268 1.00 0.00 O ATOM 156 CB ASN A 11 5.740 -28.203 -11.877 1.00 0.00 C ATOM 157 CG ASN A 11 6.171 -26.747 -12.011 1.00 0.00 C ATOM 158 OD1 ASN A 11 5.432 -25.928 -12.557 1.00 0.00 O ATOM 159 ND2 ASN A 11 7.326 -26.371 -11.542 1.00 0.00 N ATOM 0 H ASN A 11 3.262 -26.442 -11.800 1.00 0.00 H new ATOM 0 HA ASN A 11 3.864 -29.259 -11.771 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.326 -28.696 -11.101 1.00 0.00 H new ATOM 0 HB3 ASN A 11 5.931 -28.736 -12.808 1.00 0.00 H new ATOM 0 HD21 ASN A 11 7.619 -25.398 -11.627 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.938 -27.050 -11.090 1.00 0.00 H new ATOM 166 N PRO A 12 2.854 -27.755 -9.628 1.00 0.00 N ATOM 167 CA PRO A 12 2.540 -27.492 -8.194 1.00 0.00 C ATOM 168 C PRO A 12 2.757 -28.725 -7.323 1.00 0.00 C ATOM 169 O PRO A 12 2.003 -29.694 -7.401 1.00 0.00 O ATOM 170 CB PRO A 12 1.059 -27.097 -8.211 1.00 0.00 C ATOM 171 CG PRO A 12 0.509 -27.668 -9.477 1.00 0.00 C ATOM 172 CD PRO A 12 1.660 -27.672 -10.479 1.00 0.00 C ATOM 0 HA PRO A 12 3.187 -26.724 -7.770 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.536 -27.495 -7.341 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.941 -26.014 -8.185 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.130 -28.677 -9.316 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.324 -27.069 -9.844 1.00 0.00 H new ATOM 0 HD2 PRO A 12 1.594 -28.519 -11.162 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.664 -26.769 -11.090 1.00 0.00 H new ATOM 180 N ASP A 13 3.791 -28.677 -6.488 1.00 0.00 N ATOM 181 CA ASP A 13 4.098 -29.791 -5.599 1.00 0.00 C ATOM 182 C ASP A 13 3.452 -29.574 -4.234 1.00 0.00 C ATOM 183 O ASP A 13 2.987 -28.477 -3.925 1.00 0.00 O ATOM 184 CB ASP A 13 5.612 -29.925 -5.433 1.00 0.00 C ATOM 185 CG ASP A 13 6.161 -28.722 -4.673 1.00 0.00 C ATOM 186 OD1 ASP A 13 7.366 -28.656 -4.499 1.00 0.00 O ATOM 187 OD2 ASP A 13 5.366 -27.886 -4.277 1.00 0.00 O ATOM 0 H ASP A 13 4.427 -27.883 -6.409 1.00 0.00 H new ATOM 0 HA ASP A 13 3.700 -30.706 -6.039 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.847 -30.844 -4.896 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.089 -29.997 -6.411 1.00 0.00 H new ATOM 192 N PHE A 14 3.442 -30.619 -3.415 1.00 0.00 N ATOM 193 CA PHE A 14 2.867 -30.521 -2.079 1.00 0.00 C ATOM 194 C PHE A 14 3.980 -30.415 -1.041 1.00 0.00 C ATOM 195 O PHE A 14 3.739 -30.075 0.117 1.00 0.00 O ATOM 196 CB PHE A 14 2.011 -31.754 -1.784 1.00 0.00 C ATOM 197 CG PHE A 14 0.880 -31.834 -2.781 1.00 0.00 C ATOM 198 CD1 PHE A 14 -0.316 -31.147 -2.539 1.00 0.00 C ATOM 199 CD2 PHE A 14 1.027 -32.595 -3.947 1.00 0.00 C ATOM 200 CE1 PHE A 14 -1.365 -31.222 -3.462 1.00 0.00 C ATOM 201 CE2 PHE A 14 -0.023 -32.670 -4.870 1.00 0.00 C ATOM 202 CZ PHE A 14 -1.218 -31.983 -4.628 1.00 0.00 C ATOM 0 H PHE A 14 3.822 -31.536 -3.649 1.00 0.00 H new ATOM 0 HA PHE A 14 2.241 -29.630 -2.031 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.622 -32.655 -1.838 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.613 -31.699 -0.771 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.429 -30.559 -1.640 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.950 -33.124 -4.134 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.288 -30.693 -3.275 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.089 -33.258 -5.769 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.027 -32.040 -5.341 1.00 0.00 H new ATOM 212 N GLY A 15 5.199 -30.722 -1.472 1.00 0.00 N ATOM 213 CA GLY A 15 6.359 -30.679 -0.588 1.00 0.00 C ATOM 214 C GLY A 15 6.608 -29.277 -0.040 1.00 0.00 C ATOM 215 O GLY A 15 6.974 -29.119 1.125 1.00 0.00 O ATOM 0 H GLY A 15 5.410 -31.004 -2.429 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.209 -31.371 0.241 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.241 -31.018 -1.131 1.00 0.00 H new ATOM 219 N GLY A 16 6.420 -28.262 -0.878 1.00 0.00 N ATOM 220 CA GLY A 16 6.642 -26.889 -0.449 1.00 0.00 C ATOM 221 C GLY A 16 5.331 -26.121 -0.389 1.00 0.00 C ATOM 222 O GLY A 16 4.251 -26.711 -0.439 1.00 0.00 O ATOM 0 H GLY A 16 6.118 -28.364 -1.847 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.117 -26.883 0.532 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.327 -26.395 -1.138 1.00 0.00 H new ATOM 226 N PHE A 17 5.430 -24.803 -0.282 1.00 0.00 N ATOM 227 CA PHE A 17 4.239 -23.970 -0.218 1.00 0.00 C ATOM 228 C PHE A 17 4.095 -23.143 -1.492 1.00 0.00 C ATOM 229 O PHE A 17 4.892 -22.244 -1.759 1.00 0.00 O ATOM 230 CB PHE A 17 4.317 -23.044 0.999 1.00 0.00 C ATOM 231 CG PHE A 17 5.476 -22.089 0.840 1.00 0.00 C ATOM 232 CD1 PHE A 17 5.271 -20.827 0.270 1.00 0.00 C ATOM 233 CD2 PHE A 17 6.757 -22.466 1.261 1.00 0.00 C ATOM 234 CE1 PHE A 17 6.346 -19.943 0.121 1.00 0.00 C ATOM 235 CE2 PHE A 17 7.832 -21.582 1.112 1.00 0.00 C ATOM 236 CZ PHE A 17 7.627 -20.321 0.542 1.00 0.00 C ATOM 0 H PHE A 17 6.312 -24.293 -0.238 1.00 0.00 H new ATOM 0 HA PHE A 17 3.366 -24.616 -0.123 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.386 -22.487 1.104 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.440 -23.632 1.908 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.283 -20.535 -0.055 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.916 -23.439 1.701 1.00 0.00 H new ATOM 0 HE1 PHE A 17 6.188 -18.969 -0.319 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.820 -21.873 1.437 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.457 -19.639 0.427 1.00 0.00 H new ATOM 246 N GLU A 18 3.056 -23.442 -2.262 1.00 0.00 N ATOM 247 CA GLU A 18 2.788 -22.708 -3.494 1.00 0.00 C ATOM 248 C GLU A 18 1.306 -22.792 -3.845 1.00 0.00 C ATOM 249 O GLU A 18 0.684 -23.841 -3.678 1.00 0.00 O ATOM 250 CB GLU A 18 3.619 -23.271 -4.646 1.00 0.00 C ATOM 251 CG GLU A 18 5.106 -23.174 -4.300 1.00 0.00 C ATOM 252 CD GLU A 18 5.523 -21.711 -4.198 1.00 0.00 C ATOM 253 OE1 GLU A 18 4.821 -20.876 -4.745 1.00 0.00 O ATOM 254 OE2 GLU A 18 6.537 -21.446 -3.572 1.00 0.00 O ATOM 0 H GLU A 18 2.387 -24.184 -2.057 1.00 0.00 H new ATOM 0 HA GLU A 18 3.063 -21.665 -3.337 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.345 -24.310 -4.832 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.411 -22.718 -5.562 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.302 -23.683 -3.357 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.699 -23.677 -5.063 1.00 0.00 H new ATOM 261 N PHE A 19 0.743 -21.692 -4.333 1.00 0.00 N ATOM 262 CA PHE A 19 -0.667 -21.679 -4.701 1.00 0.00 C ATOM 263 C PHE A 19 -0.813 -21.469 -6.204 1.00 0.00 C ATOM 264 O PHE A 19 -0.216 -20.556 -6.775 1.00 0.00 O ATOM 265 CB PHE A 19 -1.398 -20.560 -3.960 1.00 0.00 C ATOM 266 CG PHE A 19 -2.875 -20.630 -4.277 1.00 0.00 C ATOM 267 CD1 PHE A 19 -3.416 -19.856 -5.314 1.00 0.00 C ATOM 268 CD2 PHE A 19 -3.705 -21.473 -3.528 1.00 0.00 C ATOM 269 CE1 PHE A 19 -4.786 -19.929 -5.597 1.00 0.00 C ATOM 270 CE2 PHE A 19 -5.073 -21.544 -3.813 1.00 0.00 C ATOM 271 CZ PHE A 19 -5.613 -20.772 -4.848 1.00 0.00 C ATOM 0 H PHE A 19 1.233 -20.810 -4.481 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.105 -22.638 -4.424 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.240 -20.656 -2.886 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.997 -19.590 -4.255 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.778 -19.205 -5.893 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.289 -22.069 -2.729 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.204 -19.333 -6.395 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.712 -22.194 -3.234 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.669 -20.827 -5.068 1.00 0.00 H new ATOM 281 N TYR A 20 -1.611 -22.318 -6.838 1.00 0.00 N ATOM 282 CA TYR A 20 -1.829 -22.214 -8.275 1.00 0.00 C ATOM 283 C TYR A 20 -3.314 -22.290 -8.604 1.00 0.00 C ATOM 284 O TYR A 20 -4.066 -23.021 -7.958 1.00 0.00 O ATOM 285 CB TYR A 20 -1.084 -23.339 -8.993 1.00 0.00 C ATOM 286 CG TYR A 20 0.398 -23.199 -8.746 1.00 0.00 C ATOM 287 CD1 TYR A 20 1.191 -22.475 -9.645 1.00 0.00 C ATOM 288 CD2 TYR A 20 0.979 -23.787 -7.617 1.00 0.00 C ATOM 289 CE1 TYR A 20 2.565 -22.342 -9.414 1.00 0.00 C ATOM 290 CE2 TYR A 20 2.354 -23.653 -7.387 1.00 0.00 C ATOM 291 CZ TYR A 20 3.146 -22.930 -8.285 1.00 0.00 C ATOM 292 OH TYR A 20 4.502 -22.799 -8.059 1.00 0.00 O ATOM 0 H TYR A 20 -2.114 -23.080 -6.385 1.00 0.00 H new ATOM 0 HA TYR A 20 -1.449 -21.250 -8.613 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.433 -24.307 -8.635 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.290 -23.301 -10.063 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.743 -22.020 -10.516 1.00 0.00 H new ATOM 0 HD2 TYR A 20 0.367 -24.344 -6.923 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.177 -21.785 -10.108 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.803 -24.108 -6.516 1.00 0.00 H new ATOM 0 HH TYR A 20 4.742 -23.266 -7.232 1.00 0.00 H new ATOM 302 N VAL A 21 -3.731 -21.539 -9.616 1.00 0.00 N ATOM 303 CA VAL A 21 -5.130 -21.541 -10.024 1.00 0.00 C ATOM 304 C VAL A 21 -5.348 -22.554 -11.139 1.00 0.00 C ATOM 305 O VAL A 21 -4.757 -22.445 -12.213 1.00 0.00 O ATOM 306 CB VAL A 21 -5.540 -20.151 -10.519 1.00 0.00 C ATOM 307 CG1 VAL A 21 -6.983 -20.195 -11.022 1.00 0.00 C ATOM 308 CG2 VAL A 21 -5.438 -19.145 -9.371 1.00 0.00 C ATOM 0 H VAL A 21 -3.127 -20.927 -10.164 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.740 -21.812 -9.162 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.877 -19.848 -11.329 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.276 -19.206 -11.375 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.061 -20.910 -11.841 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.642 -20.500 -10.210 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.730 -18.157 -9.726 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.100 -19.450 -8.560 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.411 -19.111 -9.007 1.00 0.00 H new ATOM 318 N GLU A 22 -6.206 -23.532 -10.882 1.00 0.00 N ATOM 319 CA GLU A 22 -6.497 -24.550 -11.879 1.00 0.00 C ATOM 320 C GLU A 22 -7.342 -23.951 -12.993 1.00 0.00 C ATOM 321 O GLU A 22 -8.216 -23.122 -12.738 1.00 0.00 O ATOM 322 CB GLU A 22 -7.246 -25.717 -11.233 1.00 0.00 C ATOM 323 CG GLU A 22 -6.339 -26.400 -10.208 1.00 0.00 C ATOM 324 CD GLU A 22 -6.481 -25.720 -8.851 1.00 0.00 C ATOM 325 OE1 GLU A 22 -7.105 -24.674 -8.798 1.00 0.00 O ATOM 326 OE2 GLU A 22 -5.964 -26.256 -7.885 1.00 0.00 O ATOM 0 H GLU A 22 -6.708 -23.641 -10.001 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.559 -24.917 -12.296 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.154 -25.357 -10.749 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.554 -26.432 -11.996 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.601 -27.455 -10.125 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.302 -26.354 -10.540 1.00 0.00 H new ATOM 333 N ALA A 23 -7.075 -24.354 -14.229 1.00 0.00 N ATOM 334 CA ALA A 23 -7.825 -23.819 -15.355 1.00 0.00 C ATOM 335 C ALA A 23 -9.317 -23.867 -15.051 1.00 0.00 C ATOM 336 O ALA A 23 -9.861 -24.920 -14.717 1.00 0.00 O ATOM 337 CB ALA A 23 -7.529 -24.630 -16.617 1.00 0.00 C ATOM 0 H ALA A 23 -6.358 -25.037 -14.474 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.524 -22.784 -15.520 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.096 -24.221 -17.454 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.463 -24.579 -16.841 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.817 -25.669 -16.458 1.00 0.00 H new ATOM 343 N GLY A 24 -9.971 -22.717 -15.163 1.00 0.00 N ATOM 344 CA GLY A 24 -11.400 -22.635 -14.891 1.00 0.00 C ATOM 345 C GLY A 24 -11.664 -22.560 -13.389 1.00 0.00 C ATOM 346 O GLY A 24 -12.812 -22.618 -12.948 1.00 0.00 O ATOM 0 H GLY A 24 -9.538 -21.835 -15.438 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.818 -21.756 -15.382 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.905 -23.505 -15.310 1.00 0.00 H new ATOM 350 N GLN A 25 -10.594 -22.439 -12.605 1.00 0.00 N ATOM 351 CA GLN A 25 -10.726 -22.365 -11.153 1.00 0.00 C ATOM 352 C GLN A 25 -10.606 -20.923 -10.672 1.00 0.00 C ATOM 353 O GLN A 25 -9.661 -20.218 -11.024 1.00 0.00 O ATOM 354 CB GLN A 25 -9.644 -23.218 -10.488 1.00 0.00 C ATOM 355 CG GLN A 25 -9.892 -23.274 -8.979 1.00 0.00 C ATOM 356 CD GLN A 25 -11.236 -23.937 -8.696 1.00 0.00 C ATOM 357 OE1 GLN A 25 -11.477 -25.064 -9.129 1.00 0.00 O ATOM 358 NE2 GLN A 25 -12.131 -23.300 -7.992 1.00 0.00 N ATOM 0 H GLN A 25 -9.635 -22.391 -12.948 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.710 -22.744 -10.878 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.652 -24.225 -10.906 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.659 -22.797 -10.690 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.092 -23.831 -8.491 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -9.879 -22.267 -8.562 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.929 -22.366 -7.634 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.033 -23.736 -7.799 1.00 0.00 H new ATOM 367 N GLN A 26 -11.570 -20.493 -9.865 1.00 0.00 N ATOM 368 CA GLN A 26 -11.561 -19.132 -9.341 1.00 0.00 C ATOM 369 C GLN A 26 -10.530 -18.990 -8.227 1.00 0.00 C ATOM 370 O GLN A 26 -10.510 -19.774 -7.278 1.00 0.00 O ATOM 371 CB GLN A 26 -12.943 -18.767 -8.801 1.00 0.00 C ATOM 372 CG GLN A 26 -12.940 -17.314 -8.323 1.00 0.00 C ATOM 373 CD GLN A 26 -14.331 -16.921 -7.841 1.00 0.00 C ATOM 374 OE1 GLN A 26 -15.271 -17.709 -7.946 1.00 0.00 O ATOM 375 NE2 GLN A 26 -14.522 -15.741 -7.316 1.00 0.00 N ATOM 0 H GLN A 26 -12.361 -21.061 -9.562 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.298 -18.457 -10.155 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -13.696 -18.903 -9.578 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -13.210 -19.430 -7.978 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -12.218 -17.190 -7.516 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.628 -16.656 -9.134 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.742 -15.089 -7.230 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -15.451 -15.471 -6.992 1.00 0.00 H new ATOM 384 N PHE A 27 -9.681 -17.979 -8.350 1.00 0.00 N ATOM 385 CA PHE A 27 -8.652 -17.726 -7.351 1.00 0.00 C ATOM 386 C PHE A 27 -9.274 -17.216 -6.055 1.00 0.00 C ATOM 387 O PHE A 27 -10.040 -16.252 -6.063 1.00 0.00 O ATOM 388 CB PHE A 27 -7.670 -16.688 -7.890 1.00 0.00 C ATOM 389 CG PHE A 27 -6.642 -16.356 -6.837 1.00 0.00 C ATOM 390 CD1 PHE A 27 -5.521 -17.178 -6.670 1.00 0.00 C ATOM 391 CD2 PHE A 27 -6.809 -15.229 -6.027 1.00 0.00 C ATOM 392 CE1 PHE A 27 -4.568 -16.870 -5.694 1.00 0.00 C ATOM 393 CE2 PHE A 27 -5.857 -14.920 -5.050 1.00 0.00 C ATOM 394 CZ PHE A 27 -4.735 -15.740 -4.884 1.00 0.00 C ATOM 0 H PHE A 27 -9.684 -17.322 -9.130 1.00 0.00 H new ATOM 0 HA PHE A 27 -8.129 -18.659 -7.141 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.177 -17.071 -8.784 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.206 -15.786 -8.184 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.392 -18.050 -7.295 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.674 -14.596 -6.156 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.703 -17.504 -5.565 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.988 -14.049 -4.424 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.998 -15.501 -4.131 1.00 0.00 H new ATOM 404 N ASP A 28 -8.944 -17.866 -4.944 1.00 0.00 N ATOM 405 CA ASP A 28 -9.482 -17.461 -3.649 1.00 0.00 C ATOM 406 C ASP A 28 -8.586 -16.408 -3.006 1.00 0.00 C ATOM 407 O ASP A 28 -7.551 -16.730 -2.424 1.00 0.00 O ATOM 408 CB ASP A 28 -9.591 -18.676 -2.725 1.00 0.00 C ATOM 409 CG ASP A 28 -10.193 -18.261 -1.387 1.00 0.00 C ATOM 410 OD1 ASP A 28 -10.389 -17.073 -1.190 1.00 0.00 O ATOM 411 OD2 ASP A 28 -10.450 -19.138 -0.579 1.00 0.00 O ATOM 0 H ASP A 28 -8.313 -18.667 -4.913 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.473 -17.034 -3.804 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.211 -19.442 -3.190 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.605 -19.114 -2.569 1.00 0.00 H new ATOM 416 N ASP A 29 -8.993 -15.147 -3.119 1.00 0.00 N ATOM 417 CA ASP A 29 -8.220 -14.050 -2.549 1.00 0.00 C ATOM 418 C ASP A 29 -8.286 -14.065 -1.025 1.00 0.00 C ATOM 419 O ASP A 29 -7.368 -13.598 -0.352 1.00 0.00 O ATOM 420 CB ASP A 29 -8.757 -12.714 -3.067 1.00 0.00 C ATOM 421 CG ASP A 29 -10.217 -12.544 -2.658 1.00 0.00 C ATOM 422 OD1 ASP A 29 -10.794 -11.528 -3.009 1.00 0.00 O ATOM 423 OD2 ASP A 29 -10.736 -13.432 -2.002 1.00 0.00 O ATOM 0 H ASP A 29 -9.848 -14.861 -3.597 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.180 -14.175 -2.852 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.161 -11.894 -2.667 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.668 -12.673 -4.153 1.00 0.00 H new ATOM 428 N SER A 30 -9.373 -14.606 -0.486 1.00 0.00 N ATOM 429 CA SER A 30 -9.539 -14.676 0.961 1.00 0.00 C ATOM 430 C SER A 30 -8.482 -15.579 1.586 1.00 0.00 C ATOM 431 O SER A 30 -7.928 -15.269 2.640 1.00 0.00 O ATOM 432 CB SER A 30 -10.932 -15.208 1.299 1.00 0.00 C ATOM 433 OG SER A 30 -11.910 -14.272 0.868 1.00 0.00 O ATOM 0 H SER A 30 -10.146 -14.999 -1.023 1.00 0.00 H new ATOM 0 HA SER A 30 -9.422 -13.671 1.368 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.094 -16.170 0.813 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.020 -15.374 2.373 1.00 0.00 H new ATOM 0 HG SER A 30 -11.756 -14.049 -0.074 1.00 0.00 H new ATOM 439 N ALA A 31 -8.212 -16.703 0.930 1.00 0.00 N ATOM 440 CA ALA A 31 -7.226 -17.654 1.429 1.00 0.00 C ATOM 441 C ALA A 31 -5.839 -17.029 1.480 1.00 0.00 C ATOM 442 O ALA A 31 -5.073 -17.272 2.411 1.00 0.00 O ATOM 443 CB ALA A 31 -7.198 -18.900 0.545 1.00 0.00 C ATOM 0 H ALA A 31 -8.660 -16.977 0.055 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.515 -17.936 2.441 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.458 -19.602 0.929 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.181 -19.371 0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.936 -18.617 -0.474 1.00 0.00 H new ATOM 449 N TYR A 32 -5.523 -16.224 0.477 1.00 0.00 N ATOM 450 CA TYR A 32 -4.224 -15.570 0.422 1.00 0.00 C ATOM 451 C TYR A 32 -4.019 -14.697 1.650 1.00 0.00 C ATOM 452 O TYR A 32 -2.913 -14.607 2.183 1.00 0.00 O ATOM 453 CB TYR A 32 -4.113 -14.722 -0.845 1.00 0.00 C ATOM 454 CG TYR A 32 -3.503 -15.554 -1.946 1.00 0.00 C ATOM 455 CD1 TYR A 32 -2.413 -15.062 -2.673 1.00 0.00 C ATOM 456 CD2 TYR A 32 -4.018 -16.824 -2.230 1.00 0.00 C ATOM 457 CE1 TYR A 32 -1.839 -15.837 -3.686 1.00 0.00 C ATOM 458 CE2 TYR A 32 -3.445 -17.600 -3.244 1.00 0.00 C ATOM 459 CZ TYR A 32 -2.356 -17.106 -3.972 1.00 0.00 C ATOM 460 OH TYR A 32 -1.790 -17.869 -4.969 1.00 0.00 O ATOM 0 H TYR A 32 -6.142 -16.009 -0.304 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.450 -16.337 0.403 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -5.098 -14.365 -1.146 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.499 -13.842 -0.655 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.015 -14.083 -2.452 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.857 -17.205 -1.667 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.998 -15.457 -4.247 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.843 -18.580 -3.465 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.396 -18.602 -5.204 1.00 0.00 H new ATOM 470 N GLU A 33 -5.091 -14.054 2.098 1.00 0.00 N ATOM 471 CA GLU A 33 -5.006 -13.192 3.269 1.00 0.00 C ATOM 472 C GLU A 33 -4.612 -14.014 4.489 1.00 0.00 C ATOM 473 O GLU A 33 -3.792 -13.588 5.302 1.00 0.00 O ATOM 474 CB GLU A 33 -6.359 -12.528 3.522 1.00 0.00 C ATOM 475 CG GLU A 33 -6.668 -11.569 2.377 1.00 0.00 C ATOM 476 CD GLU A 33 -8.017 -10.897 2.608 1.00 0.00 C ATOM 477 OE1 GLU A 33 -8.341 -9.989 1.859 1.00 0.00 O ATOM 478 OE2 GLU A 33 -8.708 -11.300 3.530 1.00 0.00 O ATOM 0 H GLU A 33 -6.017 -14.112 1.674 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.252 -12.425 3.090 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.140 -13.284 3.600 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.342 -11.989 4.469 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.885 -10.815 2.302 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.680 -12.111 1.431 1.00 0.00 H new ATOM 485 N GLU A 34 -5.199 -15.200 4.603 1.00 0.00 N ATOM 486 CA GLU A 34 -4.903 -16.088 5.720 1.00 0.00 C ATOM 487 C GLU A 34 -3.689 -16.948 5.413 1.00 0.00 C ATOM 488 O GLU A 34 -3.041 -17.473 6.320 1.00 0.00 O ATOM 489 CB GLU A 34 -6.101 -16.995 5.996 1.00 0.00 C ATOM 490 CG GLU A 34 -7.243 -16.157 6.558 1.00 0.00 C ATOM 491 CD GLU A 34 -8.500 -17.010 6.699 1.00 0.00 C ATOM 492 OE1 GLU A 34 -8.501 -18.118 6.188 1.00 0.00 O ATOM 493 OE2 GLU A 34 -9.444 -16.543 7.315 1.00 0.00 O ATOM 0 H GLU A 34 -5.880 -15.567 3.938 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.694 -15.475 6.597 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.416 -17.492 5.078 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.825 -17.777 6.703 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.961 -15.748 7.528 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.441 -15.310 5.901 1.00 0.00 H new ATOM 500 N ALA A 35 -3.391 -17.100 4.130 1.00 0.00 N ATOM 501 CA ALA A 35 -2.258 -17.911 3.723 1.00 0.00 C ATOM 502 C ALA A 35 -0.984 -17.076 3.632 1.00 0.00 C ATOM 503 O ALA A 35 0.123 -17.609 3.720 1.00 0.00 O ATOM 504 CB ALA A 35 -2.539 -18.565 2.370 1.00 0.00 C ATOM 0 H ALA A 35 -3.913 -16.677 3.363 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.111 -18.683 4.479 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.683 -19.171 2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.422 -19.199 2.449 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.713 -17.792 1.621 1.00 0.00 H new ATOM 510 N TYR A 36 -1.140 -15.766 3.456 1.00 0.00 N ATOM 511 CA TYR A 36 0.013 -14.879 3.358 1.00 0.00 C ATOM 512 C TYR A 36 -0.084 -13.759 4.389 1.00 0.00 C ATOM 513 O TYR A 36 0.857 -12.986 4.572 1.00 0.00 O ATOM 514 CB TYR A 36 0.090 -14.277 1.953 1.00 0.00 C ATOM 515 CG TYR A 36 0.196 -15.385 0.933 1.00 0.00 C ATOM 516 CD1 TYR A 36 -0.936 -15.781 0.211 1.00 0.00 C ATOM 517 CD2 TYR A 36 1.425 -16.016 0.708 1.00 0.00 C ATOM 518 CE1 TYR A 36 -0.839 -16.808 -0.736 1.00 0.00 C ATOM 519 CE2 TYR A 36 1.523 -17.042 -0.238 1.00 0.00 C ATOM 520 CZ TYR A 36 0.391 -17.438 -0.961 1.00 0.00 C ATOM 521 OH TYR A 36 0.486 -18.449 -1.893 1.00 0.00 O ATOM 0 H TYR A 36 -2.044 -15.300 3.379 1.00 0.00 H new ATOM 0 HA TYR A 36 0.914 -15.461 3.554 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.795 -13.672 1.757 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.953 -13.615 1.877 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.884 -15.294 0.384 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.298 -15.711 1.265 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.713 -17.114 -1.293 1.00 0.00 H new ATOM 0 HE2 TYR A 36 2.472 -17.529 -0.411 1.00 0.00 H new ATOM 0 HH TYR A 36 1.409 -18.778 -1.926 1.00 0.00 H new ATOM 531 N GLY A 37 -1.224 -13.686 5.066 1.00 0.00 N ATOM 532 CA GLY A 37 -1.431 -12.666 6.088 1.00 0.00 C ATOM 533 C GLY A 37 -1.411 -11.265 5.481 1.00 0.00 C ATOM 534 O GLY A 37 -1.045 -10.300 6.153 1.00 0.00 O ATOM 0 H GLY A 37 -2.014 -14.316 4.928 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.385 -12.836 6.587 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.655 -12.747 6.849 1.00 0.00 H new ATOM 538 N VAL A 38 -1.796 -11.152 4.212 1.00 0.00 N ATOM 539 CA VAL A 38 -1.800 -9.852 3.548 1.00 0.00 C ATOM 540 C VAL A 38 -3.115 -9.618 2.805 1.00 0.00 C ATOM 541 O VAL A 38 -3.834 -10.560 2.479 1.00 0.00 O ATOM 542 CB VAL A 38 -0.635 -9.771 2.560 1.00 0.00 C ATOM 543 CG1 VAL A 38 0.686 -9.924 3.316 1.00 0.00 C ATOM 544 CG2 VAL A 38 -0.764 -10.892 1.527 1.00 0.00 C ATOM 0 H VAL A 38 -2.105 -11.932 3.631 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.692 -9.081 4.311 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.654 -8.806 2.054 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.517 -9.866 2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.778 -9.126 4.053 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.706 -10.889 3.822 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.066 -10.835 0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.745 -11.857 2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.705 -10.784 0.988 1.00 0.00 H new ATOM 554 N SER A 39 -3.414 -8.352 2.541 1.00 0.00 N ATOM 555 CA SER A 39 -4.642 -7.997 1.834 1.00 0.00 C ATOM 556 C SER A 39 -4.446 -8.115 0.324 1.00 0.00 C ATOM 557 O SER A 39 -3.533 -7.513 -0.242 1.00 0.00 O ATOM 558 CB SER A 39 -5.052 -6.568 2.187 1.00 0.00 C ATOM 559 OG SER A 39 -5.377 -6.500 3.570 1.00 0.00 O ATOM 0 H SER A 39 -2.829 -7.558 2.803 1.00 0.00 H new ATOM 0 HA SER A 39 -5.428 -8.687 2.141 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.240 -5.878 1.958 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.908 -6.264 1.585 1.00 0.00 H new ATOM 0 HG SER A 39 -5.639 -5.584 3.800 1.00 0.00 H new ATOM 565 N VAL A 40 -5.308 -8.897 -0.318 1.00 0.00 N ATOM 566 CA VAL A 40 -5.226 -9.096 -1.762 1.00 0.00 C ATOM 567 C VAL A 40 -6.362 -8.365 -2.474 1.00 0.00 C ATOM 568 O VAL A 40 -7.532 -8.705 -2.306 1.00 0.00 O ATOM 569 CB VAL A 40 -5.302 -10.591 -2.083 1.00 0.00 C ATOM 570 CG1 VAL A 40 -5.203 -10.794 -3.595 1.00 0.00 C ATOM 571 CG2 VAL A 40 -4.147 -11.320 -1.393 1.00 0.00 C ATOM 0 H VAL A 40 -6.069 -9.402 0.136 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.276 -8.692 -2.112 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.250 -10.992 -1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.257 -11.858 -3.824 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.026 -10.275 -4.086 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.255 -10.393 -3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.201 -12.385 -1.621 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.198 -10.919 -1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.218 -11.176 -0.315 1.00 0.00 H new ATOM 581 N PRO A 41 -6.037 -7.374 -3.262 1.00 0.00 N ATOM 582 CA PRO A 41 -7.051 -6.576 -4.017 1.00 0.00 C ATOM 583 C PRO A 41 -7.714 -7.388 -5.128 1.00 0.00 C ATOM 584 O PRO A 41 -7.080 -8.241 -5.749 1.00 0.00 O ATOM 585 CB PRO A 41 -6.237 -5.417 -4.595 1.00 0.00 C ATOM 586 CG PRO A 41 -4.841 -5.934 -4.690 1.00 0.00 C ATOM 587 CD PRO A 41 -4.668 -6.901 -3.521 1.00 0.00 C ATOM 0 HA PRO A 41 -7.874 -6.250 -3.381 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.615 -5.119 -5.573 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.289 -4.539 -3.952 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.676 -6.439 -5.642 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.119 -5.120 -4.632 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.000 -7.724 -3.776 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.243 -6.404 -2.649 1.00 0.00 H new ATOM 595 N SER A 42 -8.996 -7.124 -5.360 1.00 0.00 N ATOM 596 CA SER A 42 -9.748 -7.842 -6.385 1.00 0.00 C ATOM 597 C SER A 42 -9.174 -7.594 -7.778 1.00 0.00 C ATOM 598 O SER A 42 -9.263 -8.459 -8.651 1.00 0.00 O ATOM 599 CB SER A 42 -11.212 -7.406 -6.355 1.00 0.00 C ATOM 600 OG SER A 42 -11.297 -6.025 -6.683 1.00 0.00 O ATOM 0 H SER A 42 -9.535 -6.421 -4.854 1.00 0.00 H new ATOM 0 HA SER A 42 -9.672 -8.908 -6.169 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.794 -7.996 -7.063 1.00 0.00 H new ATOM 0 HB3 SER A 42 -11.636 -7.584 -5.367 1.00 0.00 H new ATOM 0 HG SER A 42 -12.235 -5.742 -6.666 1.00 0.00 H new ATOM 606 N ALA A 43 -8.600 -6.415 -7.995 1.00 0.00 N ATOM 607 CA ALA A 43 -8.038 -6.087 -9.302 1.00 0.00 C ATOM 608 C ALA A 43 -6.934 -7.069 -9.677 1.00 0.00 C ATOM 609 O ALA A 43 -6.844 -7.512 -10.821 1.00 0.00 O ATOM 610 CB ALA A 43 -7.475 -4.665 -9.285 1.00 0.00 C ATOM 0 H ALA A 43 -8.512 -5.679 -7.294 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.833 -6.155 -10.044 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.057 -4.427 -10.263 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.273 -3.961 -9.050 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.693 -4.592 -8.529 1.00 0.00 H new ATOM 616 N VAL A 44 -6.098 -7.414 -8.709 1.00 0.00 N ATOM 617 CA VAL A 44 -5.015 -8.357 -8.952 1.00 0.00 C ATOM 618 C VAL A 44 -5.572 -9.765 -9.165 1.00 0.00 C ATOM 619 O VAL A 44 -5.108 -10.509 -10.030 1.00 0.00 O ATOM 620 CB VAL A 44 -4.054 -8.360 -7.763 1.00 0.00 C ATOM 621 CG1 VAL A 44 -3.030 -9.483 -7.934 1.00 0.00 C ATOM 622 CG2 VAL A 44 -3.328 -7.014 -7.694 1.00 0.00 C ATOM 0 H VAL A 44 -6.147 -7.058 -7.754 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.480 -8.050 -9.851 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.616 -8.520 -6.843 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.346 -9.484 -7.086 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.546 -10.442 -7.985 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.467 -9.325 -8.854 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.642 -7.014 -6.847 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.767 -6.855 -8.615 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.057 -6.213 -7.571 1.00 0.00 H new ATOM 632 N VAL A 45 -6.555 -10.122 -8.344 1.00 0.00 N ATOM 633 CA VAL A 45 -7.175 -11.446 -8.399 1.00 0.00 C ATOM 634 C VAL A 45 -7.876 -11.724 -9.728 1.00 0.00 C ATOM 635 O VAL A 45 -7.773 -12.829 -10.260 1.00 0.00 O ATOM 636 CB VAL A 45 -8.190 -11.575 -7.265 1.00 0.00 C ATOM 637 CG1 VAL A 45 -8.999 -12.861 -7.447 1.00 0.00 C ATOM 638 CG2 VAL A 45 -7.451 -11.620 -5.926 1.00 0.00 C ATOM 0 H VAL A 45 -6.943 -9.509 -7.627 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.374 -12.178 -8.296 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.865 -10.719 -7.280 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -9.723 -12.953 -6.638 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.524 -12.829 -8.402 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.327 -13.719 -7.431 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.173 -11.712 -5.115 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.777 -12.477 -5.911 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.875 -10.703 -5.797 1.00 0.00 H new ATOM 648 N GLU A 46 -8.610 -10.747 -10.259 1.00 0.00 N ATOM 649 CA GLU A 46 -9.323 -10.972 -11.515 1.00 0.00 C ATOM 650 C GLU A 46 -8.350 -11.339 -12.629 1.00 0.00 C ATOM 651 O GLU A 46 -8.641 -12.208 -13.450 1.00 0.00 O ATOM 652 CB GLU A 46 -10.118 -9.727 -11.917 1.00 0.00 C ATOM 653 CG GLU A 46 -9.155 -8.593 -12.266 1.00 0.00 C ATOM 654 CD GLU A 46 -9.937 -7.349 -12.671 1.00 0.00 C ATOM 655 OE1 GLU A 46 -9.306 -6.358 -12.999 1.00 0.00 O ATOM 656 OE2 GLU A 46 -11.155 -7.406 -12.648 1.00 0.00 O ATOM 0 H GLU A 46 -8.725 -9.818 -9.854 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.015 -11.800 -11.362 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.756 -9.951 -12.772 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.773 -9.423 -11.101 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.518 -8.369 -11.410 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.498 -8.900 -13.080 1.00 0.00 H new ATOM 663 N GLU A 47 -7.199 -10.674 -12.662 1.00 0.00 N ATOM 664 CA GLU A 47 -6.212 -10.955 -13.696 1.00 0.00 C ATOM 665 C GLU A 47 -5.762 -12.408 -13.616 1.00 0.00 C ATOM 666 O GLU A 47 -5.614 -13.078 -14.638 1.00 0.00 O ATOM 667 CB GLU A 47 -5.003 -10.033 -13.533 1.00 0.00 C ATOM 668 CG GLU A 47 -5.397 -8.601 -13.901 1.00 0.00 C ATOM 669 CD GLU A 47 -4.253 -7.645 -13.578 1.00 0.00 C ATOM 670 OE1 GLU A 47 -3.330 -8.066 -12.901 1.00 0.00 O ATOM 671 OE2 GLU A 47 -4.319 -6.507 -14.011 1.00 0.00 O ATOM 0 H GLU A 47 -6.931 -9.949 -11.996 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.670 -10.778 -14.669 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.641 -10.069 -12.505 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.186 -10.371 -14.170 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.641 -8.544 -14.962 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.292 -8.309 -13.352 1.00 0.00 H new ATOM 678 N MET A 48 -5.564 -12.900 -12.396 1.00 0.00 N ATOM 679 CA MET A 48 -5.155 -14.286 -12.210 1.00 0.00 C ATOM 680 C MET A 48 -6.261 -15.219 -12.687 1.00 0.00 C ATOM 681 O MET A 48 -6.000 -16.243 -13.319 1.00 0.00 O ATOM 682 CB MET A 48 -4.859 -14.553 -10.733 1.00 0.00 C ATOM 683 CG MET A 48 -3.605 -13.781 -10.315 1.00 0.00 C ATOM 684 SD MET A 48 -2.198 -14.328 -11.316 1.00 0.00 S ATOM 685 CE MET A 48 -2.208 -12.952 -12.491 1.00 0.00 C ATOM 0 H MET A 48 -5.678 -12.367 -11.534 1.00 0.00 H new ATOM 0 HA MET A 48 -4.252 -14.469 -12.793 1.00 0.00 H new ATOM 0 HB2 MET A 48 -5.707 -14.248 -10.120 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.714 -15.621 -10.568 1.00 0.00 H new ATOM 0 HG2 MET A 48 -3.764 -12.711 -10.445 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.399 -13.946 -9.257 1.00 0.00 H new ATOM 0 HE1 MET A 48 -2.325 -13.339 -13.503 1.00 0.00 H new ATOM 0 HE2 MET A 48 -3.037 -12.283 -12.260 1.00 0.00 H new ATOM 0 HE3 MET A 48 -1.268 -12.404 -12.418 1.00 0.00 H new ATOM 695 N ASN A 49 -7.502 -14.845 -12.387 1.00 0.00 N ATOM 696 CA ASN A 49 -8.654 -15.639 -12.794 1.00 0.00 C ATOM 697 C ASN A 49 -8.762 -15.674 -14.314 1.00 0.00 C ATOM 698 O ASN A 49 -9.080 -16.708 -14.902 1.00 0.00 O ATOM 699 CB ASN A 49 -9.934 -15.044 -12.203 1.00 0.00 C ATOM 700 CG ASN A 49 -9.975 -15.288 -10.699 1.00 0.00 C ATOM 701 OD1 ASN A 49 -9.286 -16.175 -10.194 1.00 0.00 O ATOM 702 ND2 ASN A 49 -10.747 -14.552 -9.948 1.00 0.00 N ATOM 0 H ASN A 49 -7.734 -14.000 -11.865 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.524 -16.656 -12.424 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -9.976 -13.974 -12.408 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.807 -15.494 -12.677 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.781 -14.711 -8.941 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.317 -13.818 -10.368 1.00 0.00 H new ATOM 709 N ALA A 50 -8.490 -14.534 -14.942 1.00 0.00 N ATOM 710 CA ALA A 50 -8.555 -14.441 -16.396 1.00 0.00 C ATOM 711 C ALA A 50 -7.544 -15.386 -17.030 1.00 0.00 C ATOM 712 O ALA A 50 -7.835 -16.046 -18.028 1.00 0.00 O ATOM 713 CB ALA A 50 -8.268 -13.006 -16.842 1.00 0.00 C ATOM 0 H ALA A 50 -8.225 -13.669 -14.471 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.557 -14.724 -16.719 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.319 -12.946 -17.929 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.008 -12.335 -16.407 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.272 -12.714 -16.508 1.00 0.00 H new ATOM 719 N LYS A 51 -6.352 -15.441 -16.446 1.00 0.00 N ATOM 720 CA LYS A 51 -5.302 -16.306 -16.966 1.00 0.00 C ATOM 721 C LYS A 51 -5.737 -17.765 -16.912 1.00 0.00 C ATOM 722 O LYS A 51 -5.493 -18.527 -17.844 1.00 0.00 O ATOM 723 CB LYS A 51 -4.022 -16.125 -16.145 1.00 0.00 C ATOM 724 CG LYS A 51 -3.449 -14.728 -16.391 1.00 0.00 C ATOM 725 CD LYS A 51 -2.979 -14.616 -17.842 1.00 0.00 C ATOM 726 CE LYS A 51 -2.345 -13.243 -18.070 1.00 0.00 C ATOM 727 NZ LYS A 51 -1.891 -13.132 -19.485 1.00 0.00 N ATOM 0 H LYS A 51 -6.091 -14.902 -15.620 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.111 -16.032 -18.004 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.236 -16.260 -15.085 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.290 -16.884 -16.422 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.206 -13.972 -16.184 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.617 -14.540 -15.713 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.257 -15.402 -18.063 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.821 -14.756 -18.520 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.066 -12.457 -17.846 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.501 -13.104 -17.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.460 -12.198 -19.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.190 -13.874 -19.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.706 -13.246 -20.121 1.00 0.00 H new ATOM 741 N ALA A 52 -6.393 -18.147 -15.819 1.00 0.00 N ATOM 742 CA ALA A 52 -6.864 -19.518 -15.654 1.00 0.00 C ATOM 743 C ALA A 52 -7.850 -19.890 -16.754 1.00 0.00 C ATOM 744 O ALA A 52 -7.864 -21.025 -17.232 1.00 0.00 O ATOM 745 CB ALA A 52 -7.537 -19.677 -14.290 1.00 0.00 C ATOM 0 H ALA A 52 -6.610 -17.528 -15.037 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.003 -20.184 -15.718 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.886 -20.703 -14.174 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.821 -19.446 -13.502 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.385 -18.995 -14.221 1.00 0.00 H new ATOM 751 N ALA A 53 -8.669 -18.927 -17.155 1.00 0.00 N ATOM 752 CA ALA A 53 -9.654 -19.159 -18.205 1.00 0.00 C ATOM 753 C ALA A 53 -8.965 -19.543 -19.509 1.00 0.00 C ATOM 754 O ALA A 53 -9.456 -20.389 -20.257 1.00 0.00 O ATOM 755 CB ALA A 53 -10.492 -17.897 -18.422 1.00 0.00 C ATOM 0 H ALA A 53 -8.672 -17.982 -16.772 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.303 -19.978 -17.895 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.225 -18.078 -19.208 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.007 -17.639 -17.497 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -9.841 -17.074 -18.716 1.00 0.00 H new ATOM 761 N GLN A 54 -7.823 -18.917 -19.777 1.00 0.00 N ATOM 762 CA GLN A 54 -7.074 -19.204 -20.995 1.00 0.00 C ATOM 763 C GLN A 54 -6.160 -20.412 -20.801 1.00 0.00 C ATOM 764 O GLN A 54 -5.604 -20.941 -21.763 1.00 0.00 O ATOM 765 CB GLN A 54 -6.234 -17.987 -21.388 1.00 0.00 C ATOM 766 CG GLN A 54 -7.159 -16.827 -21.764 1.00 0.00 C ATOM 767 CD GLN A 54 -6.333 -15.609 -22.164 1.00 0.00 C ATOM 768 OE1 GLN A 54 -5.341 -15.740 -22.882 1.00 0.00 O ATOM 769 NE2 GLN A 54 -6.684 -14.426 -21.741 1.00 0.00 N ATOM 0 H GLN A 54 -7.399 -18.213 -19.172 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.787 -19.430 -21.788 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.587 -17.696 -20.561 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.585 -18.236 -22.228 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.809 -17.122 -22.588 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.804 -16.578 -20.922 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.506 -14.320 -21.146 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.136 -13.607 -22.005 1.00 0.00 H new ATOM 778 N LEU A 55 -6.006 -20.845 -19.552 1.00 0.00 N ATOM 779 CA LEU A 55 -5.152 -21.992 -19.254 1.00 0.00 C ATOM 780 C LEU A 55 -5.789 -23.298 -19.718 1.00 0.00 C ATOM 781 O LEU A 55 -6.973 -23.547 -19.486 1.00 0.00 O ATOM 782 CB LEU A 55 -4.871 -22.070 -17.751 1.00 0.00 C ATOM 783 CG LEU A 55 -3.871 -20.982 -17.360 1.00 0.00 C ATOM 784 CD1 LEU A 55 -3.796 -20.879 -15.836 1.00 0.00 C ATOM 785 CD2 LEU A 55 -2.489 -21.343 -17.912 1.00 0.00 C ATOM 0 H LEU A 55 -6.456 -20.425 -18.738 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.216 -21.853 -19.795 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.797 -21.945 -17.190 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.474 -23.052 -17.495 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.194 -20.026 -17.773 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.083 -20.103 -15.558 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.779 -20.627 -15.440 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.472 -21.834 -15.422 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.773 -20.569 -17.635 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.169 -22.299 -17.496 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.539 -21.419 -18.998 1.00 0.00 H new ATOM 797 N LYS A 56 -4.981 -24.129 -20.365 1.00 0.00 N ATOM 798 CA LYS A 56 -5.444 -25.419 -20.858 1.00 0.00 C ATOM 799 C LYS A 56 -5.135 -26.509 -19.839 1.00 0.00 C ATOM 800 O LYS A 56 -4.398 -26.279 -18.879 1.00 0.00 O ATOM 801 CB LYS A 56 -4.766 -25.748 -22.190 1.00 0.00 C ATOM 802 CG LYS A 56 -5.155 -24.698 -23.233 1.00 0.00 C ATOM 803 CD LYS A 56 -4.407 -24.971 -24.539 1.00 0.00 C ATOM 804 CE LYS A 56 -4.928 -26.266 -25.165 1.00 0.00 C ATOM 805 NZ LYS A 56 -4.249 -26.495 -26.471 1.00 0.00 N ATOM 0 H LYS A 56 -4.000 -23.931 -20.561 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.522 -25.369 -21.011 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.683 -25.768 -22.064 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.066 -26.740 -22.528 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.231 -24.724 -23.406 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.915 -23.700 -22.866 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.545 -24.139 -25.230 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.337 -25.052 -24.347 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.744 -27.106 -24.495 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.007 -26.204 -25.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.603 -27.375 -26.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.446 -25.698 -27.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.223 -26.572 -26.320 1.00 0.00 H new ATOM 819 N ASP A 57 -5.691 -27.696 -20.049 1.00 0.00 N ATOM 820 CA ASP A 57 -5.455 -28.808 -19.138 1.00 0.00 C ATOM 821 C ASP A 57 -3.966 -29.132 -19.075 1.00 0.00 C ATOM 822 O ASP A 57 -3.268 -29.078 -20.088 1.00 0.00 O ATOM 823 CB ASP A 57 -6.228 -30.043 -19.607 1.00 0.00 C ATOM 824 CG ASP A 57 -6.094 -31.163 -18.581 1.00 0.00 C ATOM 825 OD1 ASP A 57 -5.291 -31.017 -17.675 1.00 0.00 O ATOM 826 OD2 ASP A 57 -6.798 -32.151 -18.718 1.00 0.00 O ATOM 0 H ASP A 57 -6.303 -27.912 -20.836 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.800 -28.522 -18.144 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.279 -29.792 -19.748 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.847 -30.376 -20.573 1.00 0.00 H new ATOM 831 N GLY A 58 -3.483 -29.467 -17.884 1.00 0.00 N ATOM 832 CA GLY A 58 -2.072 -29.794 -17.710 1.00 0.00 C ATOM 833 C GLY A 58 -1.233 -28.537 -17.503 1.00 0.00 C ATOM 834 O GLY A 58 -0.005 -28.593 -17.533 1.00 0.00 O ATOM 0 H GLY A 58 -4.041 -29.519 -17.032 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.953 -30.458 -16.854 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.711 -30.335 -18.585 1.00 0.00 H new ATOM 838 N GLU A 59 -1.903 -27.408 -17.285 1.00 0.00 N ATOM 839 CA GLU A 59 -1.201 -26.146 -17.064 1.00 0.00 C ATOM 840 C GLU A 59 -1.673 -25.483 -15.775 1.00 0.00 C ATOM 841 O GLU A 59 -2.823 -25.649 -15.368 1.00 0.00 O ATOM 842 CB GLU A 59 -1.425 -25.199 -18.241 1.00 0.00 C ATOM 843 CG GLU A 59 -0.690 -25.739 -19.467 1.00 0.00 C ATOM 844 CD GLU A 59 -1.015 -24.888 -20.689 1.00 0.00 C ATOM 845 OE1 GLU A 59 -0.360 -25.067 -21.703 1.00 0.00 O ATOM 846 OE2 GLU A 59 -1.914 -24.068 -20.594 1.00 0.00 O ATOM 0 H GLU A 59 -2.920 -27.340 -17.257 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.136 -26.363 -16.977 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.490 -25.107 -18.452 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.062 -24.201 -17.995 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.385 -25.735 -19.287 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.979 -26.774 -19.648 1.00 0.00 H new ATOM 853 N TRP A 60 -0.778 -24.737 -15.134 1.00 0.00 N ATOM 854 CA TRP A 60 -1.115 -24.061 -13.890 1.00 0.00 C ATOM 855 C TRP A 60 -0.529 -22.654 -13.866 1.00 0.00 C ATOM 856 O TRP A 60 0.504 -22.389 -14.482 1.00 0.00 O ATOM 857 CB TRP A 60 -0.578 -24.860 -12.702 1.00 0.00 C ATOM 858 CG TRP A 60 -1.008 -26.287 -12.827 1.00 0.00 C ATOM 859 CD1 TRP A 60 -0.172 -27.335 -13.001 1.00 0.00 C ATOM 860 CD2 TRP A 60 -2.357 -26.839 -12.808 1.00 0.00 C ATOM 861 NE1 TRP A 60 -0.919 -28.496 -13.079 1.00 0.00 N ATOM 862 CE2 TRP A 60 -2.271 -28.243 -12.966 1.00 0.00 C ATOM 863 CE3 TRP A 60 -3.633 -26.265 -12.665 1.00 0.00 C ATOM 864 CZ2 TRP A 60 -3.410 -29.049 -12.986 1.00 0.00 C ATOM 865 CZ3 TRP A 60 -4.782 -27.074 -12.684 1.00 0.00 C ATOM 866 CH2 TRP A 60 -4.670 -28.462 -12.843 1.00 0.00 C ATOM 0 H TRP A 60 0.179 -24.587 -15.454 1.00 0.00 H new ATOM 0 HA TRP A 60 -2.200 -23.989 -13.820 1.00 0.00 H new ATOM 0 HB2 TRP A 60 0.510 -24.798 -12.670 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -0.949 -24.438 -11.768 1.00 0.00 H new ATOM 0 HD1 TRP A 60 0.904 -27.275 -13.068 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -0.519 -29.426 -13.205 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.730 -25.197 -12.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -3.318 -30.118 -13.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -5.757 -26.623 -12.575 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -5.557 -29.078 -12.855 1.00 0.00 H new ATOM 877 N LEU A 61 -1.192 -21.758 -13.147 1.00 0.00 N ATOM 878 CA LEU A 61 -0.730 -20.380 -13.037 1.00 0.00 C ATOM 879 C LEU A 61 -0.101 -20.162 -11.663 1.00 0.00 C ATOM 880 O LEU A 61 -0.604 -20.669 -10.661 1.00 0.00 O ATOM 881 CB LEU A 61 -1.901 -19.417 -13.235 1.00 0.00 C ATOM 882 CG LEU A 61 -1.391 -17.980 -13.163 1.00 0.00 C ATOM 883 CD1 LEU A 61 -0.358 -17.759 -14.269 1.00 0.00 C ATOM 884 CD2 LEU A 61 -2.561 -17.013 -13.356 1.00 0.00 C ATOM 0 H LEU A 61 -2.049 -21.959 -12.632 1.00 0.00 H new ATOM 0 HA LEU A 61 0.015 -20.188 -13.809 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.377 -19.598 -14.199 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.658 -19.585 -12.469 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.932 -17.801 -12.191 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.010 -16.734 -14.223 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.474 -18.450 -14.133 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.821 -17.935 -15.240 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.197 -15.987 -13.305 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.020 -17.187 -14.329 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.300 -17.175 -12.572 1.00 0.00 H new ATOM 896 N ASN A 62 0.996 -19.409 -11.612 1.00 0.00 N ATOM 897 CA ASN A 62 1.664 -19.147 -10.340 1.00 0.00 C ATOM 898 C ASN A 62 1.234 -17.798 -9.774 1.00 0.00 C ATOM 899 O ASN A 62 1.391 -16.765 -10.423 1.00 0.00 O ATOM 900 CB ASN A 62 3.182 -19.160 -10.533 1.00 0.00 C ATOM 901 CG ASN A 62 3.878 -18.856 -9.211 1.00 0.00 C ATOM 902 OD1 ASN A 62 4.257 -17.713 -8.957 1.00 0.00 O ATOM 903 ND2 ASN A 62 4.072 -19.817 -8.349 1.00 0.00 N ATOM 0 H ASN A 62 1.436 -18.975 -12.424 1.00 0.00 H new ATOM 0 HA ASN A 62 1.380 -19.930 -9.637 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.501 -20.133 -10.906 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.468 -18.422 -11.282 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.538 -19.621 -7.463 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.757 -20.764 -8.561 1.00 0.00 H new ATOM 910 N VAL A 63 0.696 -17.812 -8.559 1.00 0.00 N ATOM 911 CA VAL A 63 0.254 -16.578 -7.916 1.00 0.00 C ATOM 912 C VAL A 63 1.059 -16.323 -6.646 1.00 0.00 C ATOM 913 O VAL A 63 1.173 -17.198 -5.787 1.00 0.00 O ATOM 914 CB VAL A 63 -1.232 -16.669 -7.570 1.00 0.00 C ATOM 915 CG1 VAL A 63 -1.667 -15.391 -6.849 1.00 0.00 C ATOM 916 CG2 VAL A 63 -2.048 -16.826 -8.854 1.00 0.00 C ATOM 0 H VAL A 63 0.556 -18.656 -8.003 1.00 0.00 H new ATOM 0 HA VAL A 63 0.413 -15.752 -8.609 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.400 -17.530 -6.923 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.727 -15.455 -6.602 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.087 -15.275 -5.933 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.497 -14.532 -7.498 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.107 -16.891 -8.606 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.879 -15.965 -9.500 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.740 -17.734 -9.372 1.00 0.00 H new ATOM 926 N SER A 64 1.622 -15.124 -6.536 1.00 0.00 N ATOM 927 CA SER A 64 2.423 -14.764 -5.372 1.00 0.00 C ATOM 928 C SER A 64 2.411 -13.251 -5.176 1.00 0.00 C ATOM 929 O SER A 64 1.896 -12.514 -6.016 1.00 0.00 O ATOM 930 CB SER A 64 3.863 -15.247 -5.557 1.00 0.00 C ATOM 931 OG SER A 64 4.471 -14.516 -6.613 1.00 0.00 O ATOM 0 H SER A 64 1.539 -14.387 -7.237 1.00 0.00 H new ATOM 0 HA SER A 64 1.995 -15.242 -4.491 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.426 -15.111 -4.634 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.875 -16.313 -5.783 1.00 0.00 H new ATOM 0 HG SER A 64 3.884 -14.525 -7.398 1.00 0.00 H new ATOM 937 N HIS A 65 2.977 -12.791 -4.063 1.00 0.00 N ATOM 938 CA HIS A 65 3.016 -11.362 -3.777 1.00 0.00 C ATOM 939 C HIS A 65 4.362 -10.981 -3.175 1.00 0.00 C ATOM 940 O HIS A 65 5.080 -11.834 -2.656 1.00 0.00 O ATOM 941 CB HIS A 65 1.901 -10.997 -2.796 1.00 0.00 C ATOM 942 CG HIS A 65 2.224 -11.563 -1.442 1.00 0.00 C ATOM 943 ND1 HIS A 65 2.745 -10.988 -0.309 1.00 0.00 N flip ATOM 944 CD2 HIS A 65 2.018 -12.896 -1.129 1.00 0.00 C flip ATOM 945 CE1 HIS A 65 2.860 -11.948 0.692 1.00 0.00 C flip ATOM 946 NE2 HIS A 65 2.408 -13.079 0.145 1.00 0.00 N flip ATOM 0 H HIS A 65 3.410 -13.381 -3.352 1.00 0.00 H new ATOM 0 HA HIS A 65 2.874 -10.817 -4.710 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.796 -9.914 -2.734 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.948 -11.390 -3.149 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.617 -13.652 -1.788 1.00 0.00 H new ATOM 0 HE1 HIS A 65 3.234 -11.808 1.695 1.00 0.00 H new ATOM 0 HE2 HIS A 65 2.364 -13.973 0.634 1.00 0.00 H new ATOM 954 N GLU A 66 4.703 -9.696 -3.246 1.00 0.00 N ATOM 955 CA GLU A 66 5.966 -9.218 -2.703 1.00 0.00 C ATOM 956 C GLU A 66 5.764 -7.868 -2.024 1.00 0.00 C ATOM 957 O GLU A 66 5.120 -6.978 -2.579 1.00 0.00 O ATOM 958 CB GLU A 66 6.997 -9.076 -3.824 1.00 0.00 C ATOM 959 CG GLU A 66 8.316 -8.571 -3.239 1.00 0.00 C ATOM 960 CD GLU A 66 9.369 -8.470 -4.337 1.00 0.00 C ATOM 961 OE1 GLU A 66 9.047 -8.785 -5.470 1.00 0.00 O ATOM 962 OE2 GLU A 66 10.483 -8.078 -4.028 1.00 0.00 O ATOM 0 H GLU A 66 4.124 -8.973 -3.672 1.00 0.00 H new ATOM 0 HA GLU A 66 6.328 -9.939 -1.970 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.149 -10.036 -4.317 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.633 -8.382 -4.582 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.168 -7.596 -2.775 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.659 -9.248 -2.456 1.00 0.00 H new ATOM 969 N ALA A 67 6.320 -7.714 -0.828 1.00 0.00 N ATOM 970 CA ALA A 67 6.190 -6.460 -0.095 1.00 0.00 C ATOM 971 C ALA A 67 4.899 -5.746 -0.479 1.00 0.00 C ATOM 972 O ALA A 67 4.227 -5.257 0.415 1.00 0.00 O ATOM 973 CB ALA A 67 7.385 -5.555 -0.397 1.00 0.00 C ATOM 0 H ALA A 67 6.860 -8.434 -0.349 1.00 0.00 H new ATOM 0 HA ALA A 67 6.163 -6.684 0.971 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.282 -4.620 0.154 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.305 -6.055 -0.094 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.421 -5.344 -1.466 1.00 0.00 H new TER 979 ALA A 67