USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 704 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 41 LYS NZ :NH3+ 178:sc= 1.08 (180deg=1) USER MOD Set 1.2: A 57 ASN : amide:sc= 1.17 K(o=2.3,f=-0.19) USER MOD Set 2.1: A 11 ASN : amide:sc= -1.3 K(o=1.8,f=-4.6!) USER MOD Set 2.2: A 15 ASN : amide:sc= 1.3 K(o=1.8,f=0.45) USER MOD Set 2.3: A 17 HIS : no HD1:sc= 0.516 K(o=1.8,f=-7.3!) USER MOD Set 2.4: A 36 SER OG : rot -135:sc= 1.25 USER MOD Set 3.1: A 9 CYS SG : rot 102:sc= 2.27 USER MOD Set 3.2: A 81 CYS SG : rot -115:sc= 1.2 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0.644 (180deg=0.572) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 110:sc= 0.00416 USER MOD Single : A 10 CYS SG : rot 180:sc= 0.0325 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0.494 X(o=0.49,f=0) USER MOD Single : A 20 MET CE :methyl 153:sc= -0.0747 (180deg=-0.333) USER MOD Single : A 22 CYS SG : rot 80:sc= -1.24 USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 1.16 (180deg=1.15) USER MOD Single : A 30 MET CE :methyl 167:sc= -0.023 (180deg=-0.259) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0.851 K(o=0.85,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.28) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 69:sc= -0.102 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.0419 X(o=-0.042,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 3:sc= 1.08 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0.00251 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 20:sc= 0.879 USER MOD Single : A 80 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.2) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0631 USER MOD Single : A 88 GLN : amide:sc= 0.914 K(o=0.91,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.870 -1.459 -0.391 1.00 0.00 N ATOM 2 CA MET A 1 3.404 -1.018 -1.697 1.00 0.00 C ATOM 3 C MET A 1 4.507 0.009 -1.454 1.00 0.00 C ATOM 4 O MET A 1 4.326 0.970 -0.704 1.00 0.00 O ATOM 5 CB MET A 1 2.314 -0.468 -2.639 1.00 0.00 C ATOM 6 CG MET A 1 2.873 -0.099 -4.025 1.00 0.00 C ATOM 7 SD MET A 1 3.628 -1.459 -4.961 1.00 0.00 S ATOM 8 CE MET A 1 4.160 -0.537 -6.433 1.00 0.00 C ATOM 0 H1 MET A 1 2.255 -2.286 -0.529 1.00 0.00 H new ATOM 0 H2 MET A 1 3.658 -1.714 0.238 1.00 0.00 H new ATOM 0 H3 MET A 1 2.321 -0.687 0.038 1.00 0.00 H new ATOM 0 HA MET A 1 3.815 -1.887 -2.210 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.526 -1.213 -2.754 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.857 0.413 -2.188 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.064 0.322 -4.622 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.618 0.687 -3.898 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.651 -1.216 -7.130 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.291 -0.088 -6.915 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.857 0.247 -6.139 1.00 0.00 H new ATOM 20 N GLU A 2 5.653 -0.196 -2.099 1.00 0.00 N ATOM 21 CA GLU A 2 6.836 0.640 -2.000 1.00 0.00 C ATOM 22 C GLU A 2 7.244 0.974 -3.436 1.00 0.00 C ATOM 23 O GLU A 2 6.853 0.270 -4.375 1.00 0.00 O ATOM 24 CB GLU A 2 7.955 -0.089 -1.237 1.00 0.00 C ATOM 25 CG GLU A 2 7.557 -0.547 0.180 1.00 0.00 C ATOM 26 CD GLU A 2 6.797 -1.891 0.217 1.00 0.00 C ATOM 27 OE1 GLU A 2 7.415 -2.950 -0.037 1.00 0.00 O ATOM 28 OE2 GLU A 2 5.585 -1.908 0.542 1.00 0.00 O ATOM 0 H GLU A 2 5.783 -0.986 -2.732 1.00 0.00 H new ATOM 0 HA GLU A 2 6.639 1.553 -1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.266 -0.960 -1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.820 0.571 -1.164 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.457 -0.634 0.789 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.936 0.222 0.638 1.00 0.00 H new ATOM 35 N TRP A 3 8.022 2.036 -3.616 1.00 0.00 N ATOM 36 CA TRP A 3 8.295 2.619 -4.917 1.00 0.00 C ATOM 37 C TRP A 3 9.788 2.905 -5.034 1.00 0.00 C ATOM 38 O TRP A 3 10.515 2.864 -4.039 1.00 0.00 O ATOM 39 CB TRP A 3 7.433 3.885 -5.078 1.00 0.00 C ATOM 40 CG TRP A 3 5.964 3.710 -4.811 1.00 0.00 C ATOM 41 CD1 TRP A 3 5.380 3.790 -3.593 1.00 0.00 C ATOM 42 CD2 TRP A 3 4.880 3.411 -5.746 1.00 0.00 C ATOM 43 NE1 TRP A 3 4.028 3.541 -3.702 1.00 0.00 N ATOM 44 CE2 TRP A 3 3.661 3.303 -5.009 1.00 0.00 C ATOM 45 CE3 TRP A 3 4.793 3.244 -7.145 1.00 0.00 C ATOM 46 CZ2 TRP A 3 2.432 3.019 -5.626 1.00 0.00 C ATOM 47 CZ3 TRP A 3 3.568 2.956 -7.776 1.00 0.00 C ATOM 48 CH2 TRP A 3 2.388 2.837 -7.019 1.00 0.00 C ATOM 0 H TRP A 3 8.486 2.521 -2.848 1.00 0.00 H new ATOM 0 HA TRP A 3 8.034 1.933 -5.723 1.00 0.00 H new ATOM 0 HB2 TRP A 3 7.817 4.652 -4.406 1.00 0.00 H new ATOM 0 HB3 TRP A 3 7.557 4.260 -6.094 1.00 0.00 H new ATOM 0 HD1 TRP A 3 5.896 4.016 -2.672 1.00 0.00 H new ATOM 0 HE1 TRP A 3 3.381 3.534 -2.914 1.00 0.00 H new ATOM 0 HE3 TRP A 3 5.686 3.339 -7.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 1.530 2.941 -5.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 3.534 2.826 -8.848 1.00 0.00 H new ATOM 0 HH2 TRP A 3 1.452 2.607 -7.506 1.00 0.00 H new ATOM 59 N LEU A 4 10.251 3.196 -6.245 1.00 0.00 N ATOM 60 CA LEU A 4 11.656 3.337 -6.588 1.00 0.00 C ATOM 61 C LEU A 4 11.828 4.648 -7.331 1.00 0.00 C ATOM 62 O LEU A 4 11.134 4.928 -8.305 1.00 0.00 O ATOM 63 CB LEU A 4 12.073 2.152 -7.466 1.00 0.00 C ATOM 64 CG LEU A 4 13.533 2.138 -7.955 1.00 0.00 C ATOM 65 CD1 LEU A 4 14.527 1.955 -6.805 1.00 0.00 C ATOM 66 CD2 LEU A 4 13.708 0.983 -8.947 1.00 0.00 C ATOM 0 H LEU A 4 9.632 3.345 -7.042 1.00 0.00 H new ATOM 0 HA LEU A 4 12.283 3.343 -5.696 1.00 0.00 H new ATOM 0 HB2 LEU A 4 11.892 1.234 -6.908 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.421 2.128 -8.339 1.00 0.00 H new ATOM 0 HG LEU A 4 13.739 3.100 -8.424 1.00 0.00 H new ATOM 0 HD11 LEU A 4 15.543 1.952 -7.199 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.416 2.774 -6.095 1.00 0.00 H new ATOM 0 HD13 LEU A 4 14.330 1.009 -6.301 1.00 0.00 H new ATOM 0 HD21 LEU A 4 14.738 0.961 -9.302 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.474 0.040 -8.453 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.036 1.125 -9.793 1.00 0.00 H new ATOM 78 N VAL A 5 12.768 5.441 -6.860 1.00 0.00 N ATOM 79 CA VAL A 5 13.257 6.647 -7.500 1.00 0.00 C ATOM 80 C VAL A 5 14.208 6.167 -8.589 1.00 0.00 C ATOM 81 O VAL A 5 15.317 5.714 -8.268 1.00 0.00 O ATOM 82 CB VAL A 5 13.975 7.523 -6.457 1.00 0.00 C ATOM 83 CG1 VAL A 5 14.464 8.842 -7.056 1.00 0.00 C ATOM 84 CG2 VAL A 5 13.074 7.822 -5.250 1.00 0.00 C ATOM 0 H VAL A 5 13.237 5.253 -5.974 1.00 0.00 H new ATOM 0 HA VAL A 5 12.461 7.257 -7.927 1.00 0.00 H new ATOM 0 HB VAL A 5 14.839 6.948 -6.123 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.964 9.428 -6.285 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.163 8.636 -7.867 1.00 0.00 H new ATOM 0 HG13 VAL A 5 13.614 9.403 -7.444 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.616 8.442 -4.536 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.181 8.350 -5.585 1.00 0.00 H new ATOM 0 HG23 VAL A 5 12.785 6.886 -4.771 1.00 0.00 H new ATOM 94 N LYS A 6 13.758 6.257 -9.849 1.00 0.00 N ATOM 95 CA LYS A 6 14.553 5.944 -11.046 1.00 0.00 C ATOM 96 C LYS A 6 15.177 7.200 -11.651 1.00 0.00 C ATOM 97 O LYS A 6 16.117 7.072 -12.427 1.00 0.00 O ATOM 98 CB LYS A 6 13.699 5.245 -12.118 1.00 0.00 C ATOM 99 CG LYS A 6 13.356 3.779 -11.793 1.00 0.00 C ATOM 100 CD LYS A 6 14.367 2.738 -12.311 1.00 0.00 C ATOM 101 CE LYS A 6 15.782 2.868 -11.723 1.00 0.00 C ATOM 102 NZ LYS A 6 16.695 1.802 -12.214 1.00 0.00 N ATOM 0 H LYS A 6 12.808 6.557 -10.070 1.00 0.00 H new ATOM 0 HA LYS A 6 15.348 5.272 -10.723 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.772 5.803 -12.249 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.230 5.280 -13.069 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.272 3.673 -10.711 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.376 3.550 -12.212 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.987 1.741 -12.090 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.430 2.822 -13.396 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.193 3.844 -11.982 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.727 2.824 -10.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 17.637 1.930 -11.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 16.318 0.871 -11.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.770 1.859 -13.250 1.00 0.00 H new ATOM 116 N LYS A 7 14.697 8.393 -11.292 1.00 0.00 N ATOM 117 CA LYS A 7 15.282 9.694 -11.619 1.00 0.00 C ATOM 118 C LYS A 7 14.992 10.584 -10.414 1.00 0.00 C ATOM 119 O LYS A 7 13.935 10.414 -9.807 1.00 0.00 O ATOM 120 CB LYS A 7 14.638 10.344 -12.861 1.00 0.00 C ATOM 121 CG LYS A 7 14.512 9.510 -14.145 1.00 0.00 C ATOM 122 CD LYS A 7 15.848 9.230 -14.838 1.00 0.00 C ATOM 123 CE LYS A 7 15.687 8.288 -16.041 1.00 0.00 C ATOM 124 NZ LYS A 7 14.982 8.917 -17.189 1.00 0.00 N ATOM 0 H LYS A 7 13.846 8.481 -10.737 1.00 0.00 H new ATOM 0 HA LYS A 7 16.343 9.572 -11.838 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.638 10.674 -12.581 1.00 0.00 H new ATOM 0 HB3 LYS A 7 15.213 11.238 -13.102 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.033 8.561 -13.904 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.855 10.031 -14.842 1.00 0.00 H new ATOM 0 HD2 LYS A 7 16.288 10.170 -15.170 1.00 0.00 H new ATOM 0 HD3 LYS A 7 16.542 8.789 -14.123 1.00 0.00 H new ATOM 0 HE2 LYS A 7 16.672 7.954 -16.367 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.137 7.400 -15.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.905 8.231 -17.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.030 9.212 -16.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 15.517 9.748 -17.512 1.00 0.00 H new ATOM 138 N SER A 8 15.850 11.548 -10.101 1.00 0.00 N ATOM 139 CA SER A 8 15.605 12.587 -9.106 1.00 0.00 C ATOM 140 C SER A 8 16.389 13.816 -9.566 1.00 0.00 C ATOM 141 O SER A 8 17.520 13.674 -10.041 1.00 0.00 O ATOM 142 CB SER A 8 16.024 12.110 -7.704 1.00 0.00 C ATOM 143 OG SER A 8 17.134 11.223 -7.712 1.00 0.00 O ATOM 0 H SER A 8 16.764 11.631 -10.546 1.00 0.00 H new ATOM 0 HA SER A 8 14.545 12.829 -9.026 1.00 0.00 H new ATOM 0 HB2 SER A 8 16.268 12.978 -7.092 1.00 0.00 H new ATOM 0 HB3 SER A 8 15.177 11.614 -7.230 1.00 0.00 H new ATOM 0 HG SER A 8 17.916 11.675 -7.332 1.00 0.00 H new ATOM 149 N CYS A 9 15.801 15.008 -9.438 1.00 0.00 N ATOM 150 CA CYS A 9 16.388 16.256 -9.915 1.00 0.00 C ATOM 151 C CYS A 9 16.514 17.209 -8.733 1.00 0.00 C ATOM 152 O CYS A 9 15.507 17.695 -8.212 1.00 0.00 O ATOM 153 CB CYS A 9 15.534 16.841 -11.046 1.00 0.00 C ATOM 154 SG CYS A 9 15.730 15.806 -12.525 1.00 0.00 S ATOM 0 H CYS A 9 14.891 15.132 -8.994 1.00 0.00 H new ATOM 0 HA CYS A 9 17.382 16.084 -10.329 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.486 16.877 -10.747 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.841 17.865 -11.259 1.00 0.00 H new ATOM 0 HG CYS A 9 14.695 15.030 -12.652 1.00 0.00 H new ATOM 160 N CYS A 10 17.756 17.420 -8.291 1.00 0.00 N ATOM 161 CA CYS A 10 18.099 18.228 -7.128 1.00 0.00 C ATOM 162 C CYS A 10 17.578 19.661 -7.279 1.00 0.00 C ATOM 163 O CYS A 10 17.626 20.233 -8.371 1.00 0.00 O ATOM 164 CB CYS A 10 19.622 18.234 -6.938 1.00 0.00 C ATOM 165 SG CYS A 10 20.259 16.536 -6.797 1.00 0.00 S ATOM 0 H CYS A 10 18.574 17.019 -8.750 1.00 0.00 H new ATOM 0 HA CYS A 10 17.625 17.791 -6.249 1.00 0.00 H new ATOM 0 HB2 CYS A 10 20.097 18.737 -7.781 1.00 0.00 H new ATOM 0 HB3 CYS A 10 19.880 18.800 -6.043 1.00 0.00 H new ATOM 0 HG CYS A 10 21.549 16.568 -6.639 1.00 0.00 H new ATOM 171 N ASN A 11 17.149 20.262 -6.167 1.00 0.00 N ATOM 172 CA ASN A 11 16.818 21.682 -6.067 1.00 0.00 C ATOM 173 C ASN A 11 17.140 22.162 -4.652 1.00 0.00 C ATOM 174 O ASN A 11 17.088 21.389 -3.694 1.00 0.00 O ATOM 175 CB ASN A 11 15.337 21.951 -6.415 1.00 0.00 C ATOM 176 CG ASN A 11 14.451 22.103 -5.185 1.00 0.00 C ATOM 177 OD1 ASN A 11 14.192 23.215 -4.730 1.00 0.00 O ATOM 178 ND2 ASN A 11 14.035 20.998 -4.596 1.00 0.00 N ATOM 0 H ASN A 11 17.019 19.760 -5.289 1.00 0.00 H new ATOM 0 HA ASN A 11 17.415 22.236 -6.791 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.271 22.857 -7.017 1.00 0.00 H new ATOM 0 HB3 ASN A 11 14.960 21.132 -7.028 1.00 0.00 H new ATOM 0 HD21 ASN A 11 13.483 21.053 -3.740 1.00 0.00 H new ATOM 0 HD22 ASN A 11 14.265 20.089 -4.997 1.00 0.00 H new ATOM 185 N LYS A 12 17.415 23.459 -4.533 1.00 0.00 N ATOM 186 CA LYS A 12 17.498 24.160 -3.251 1.00 0.00 C ATOM 187 C LYS A 12 16.854 25.547 -3.330 1.00 0.00 C ATOM 188 O LYS A 12 16.946 26.313 -2.372 1.00 0.00 O ATOM 189 CB LYS A 12 18.932 24.116 -2.671 1.00 0.00 C ATOM 190 CG LYS A 12 20.072 24.496 -3.628 1.00 0.00 C ATOM 191 CD LYS A 12 19.959 25.914 -4.197 1.00 0.00 C ATOM 192 CE LYS A 12 20.110 27.037 -3.154 1.00 0.00 C ATOM 193 NZ LYS A 12 21.480 27.123 -2.585 1.00 0.00 N ATOM 0 H LYS A 12 17.589 24.063 -5.336 1.00 0.00 H new ATOM 0 HA LYS A 12 16.898 23.628 -2.513 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.972 24.784 -1.811 1.00 0.00 H new ATOM 0 HB3 LYS A 12 19.119 23.108 -2.301 1.00 0.00 H new ATOM 0 HG2 LYS A 12 21.022 24.401 -3.102 1.00 0.00 H new ATOM 0 HG3 LYS A 12 20.092 23.784 -4.453 1.00 0.00 H new ATOM 0 HD2 LYS A 12 20.721 26.045 -4.965 1.00 0.00 H new ATOM 0 HD3 LYS A 12 18.991 26.019 -4.687 1.00 0.00 H new ATOM 0 HE2 LYS A 12 19.854 27.991 -3.616 1.00 0.00 H new ATOM 0 HE3 LYS A 12 19.397 26.873 -2.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 21.519 27.896 -1.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 21.719 26.225 -2.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 22.162 27.308 -3.348 1.00 0.00 H new ATOM 207 N GLN A 13 16.234 25.890 -4.468 1.00 0.00 N ATOM 208 CA GLN A 13 15.616 27.197 -4.644 1.00 0.00 C ATOM 209 C GLN A 13 14.207 27.203 -4.052 1.00 0.00 C ATOM 210 O GLN A 13 13.738 28.270 -3.652 1.00 0.00 O ATOM 211 CB GLN A 13 15.569 27.564 -6.133 1.00 0.00 C ATOM 212 CG GLN A 13 16.964 27.808 -6.727 1.00 0.00 C ATOM 213 CD GLN A 13 16.854 28.144 -8.213 1.00 0.00 C ATOM 214 OE1 GLN A 13 16.575 29.276 -8.596 1.00 0.00 O ATOM 215 NE2 GLN A 13 17.042 27.162 -9.079 1.00 0.00 N ATOM 0 H GLN A 13 16.151 25.274 -5.277 1.00 0.00 H new ATOM 0 HA GLN A 13 16.216 27.940 -4.119 1.00 0.00 H new ATOM 0 HB2 GLN A 13 15.078 26.763 -6.685 1.00 0.00 H new ATOM 0 HB3 GLN A 13 14.961 28.459 -6.263 1.00 0.00 H new ATOM 0 HG2 GLN A 13 17.455 28.625 -6.198 1.00 0.00 H new ATOM 0 HG3 GLN A 13 17.585 26.922 -6.592 1.00 0.00 H new ATOM 0 HE21 GLN A 13 17.273 26.226 -8.746 1.00 0.00 H new ATOM 0 HE22 GLN A 13 16.956 27.341 -10.079 1.00 0.00 H new ATOM 224 N ASP A 14 13.527 26.047 -3.991 1.00 0.00 N ATOM 225 CA ASP A 14 12.102 26.016 -3.626 1.00 0.00 C ATOM 226 C ASP A 14 11.711 24.816 -2.751 1.00 0.00 C ATOM 227 O ASP A 14 10.555 24.684 -2.360 1.00 0.00 O ATOM 228 CB ASP A 14 11.266 26.071 -4.914 1.00 0.00 C ATOM 229 CG ASP A 14 9.790 26.412 -4.652 1.00 0.00 C ATOM 230 OD1 ASP A 14 9.499 27.395 -3.932 1.00 0.00 O ATOM 231 OD2 ASP A 14 8.918 25.743 -5.244 1.00 0.00 O ATOM 0 H ASP A 14 13.934 25.133 -4.187 1.00 0.00 H new ATOM 0 HA ASP A 14 11.898 26.888 -3.004 1.00 0.00 H new ATOM 0 HB2 ASP A 14 11.692 26.815 -5.587 1.00 0.00 H new ATOM 0 HB3 ASP A 14 11.327 25.109 -5.423 1.00 0.00 H new ATOM 236 N ASN A 15 12.665 23.925 -2.444 1.00 0.00 N ATOM 237 CA ASN A 15 12.557 22.700 -1.639 1.00 0.00 C ATOM 238 C ASN A 15 11.749 21.610 -2.355 1.00 0.00 C ATOM 239 O ASN A 15 11.887 20.432 -2.036 1.00 0.00 O ATOM 240 CB ASN A 15 12.014 22.999 -0.227 1.00 0.00 C ATOM 241 CG ASN A 15 12.509 22.059 0.878 1.00 0.00 C ATOM 242 OD1 ASN A 15 12.783 22.510 1.986 1.00 0.00 O ATOM 243 ND2 ASN A 15 12.634 20.762 0.653 1.00 0.00 N ATOM 0 H ASN A 15 13.618 24.056 -2.784 1.00 0.00 H new ATOM 0 HA ASN A 15 13.565 22.303 -1.515 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.285 24.021 0.040 1.00 0.00 H new ATOM 0 HB3 ASN A 15 10.925 22.955 -0.258 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.956 20.144 1.398 1.00 0.00 H new ATOM 0 HD22 ASN A 15 12.408 20.380 -0.265 1.00 0.00 H new ATOM 250 N ARG A 16 10.963 21.977 -3.366 1.00 0.00 N ATOM 251 CA ARG A 16 10.138 21.081 -4.169 1.00 0.00 C ATOM 252 C ARG A 16 11.010 20.361 -5.194 1.00 0.00 C ATOM 253 O ARG A 16 11.291 20.892 -6.268 1.00 0.00 O ATOM 254 CB ARG A 16 9.012 21.874 -4.846 1.00 0.00 C ATOM 255 CG ARG A 16 7.951 22.314 -3.821 1.00 0.00 C ATOM 256 CD ARG A 16 6.872 23.264 -4.358 1.00 0.00 C ATOM 257 NE ARG A 16 6.330 22.862 -5.666 1.00 0.00 N ATOM 258 CZ ARG A 16 6.321 23.584 -6.794 1.00 0.00 C ATOM 259 NH1 ARG A 16 6.937 24.760 -6.876 1.00 0.00 N ATOM 260 NH2 ARG A 16 5.686 23.108 -7.858 1.00 0.00 N ATOM 0 H ARG A 16 10.882 22.951 -3.659 1.00 0.00 H new ATOM 0 HA ARG A 16 9.678 20.329 -3.528 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.428 22.751 -5.343 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.545 21.262 -5.618 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.463 21.424 -3.424 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.456 22.800 -2.986 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.056 23.318 -3.637 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.291 24.267 -4.441 1.00 0.00 H new ATOM 0 HE ARG A 16 5.916 21.931 -5.719 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.433 25.134 -6.067 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.914 25.288 -7.748 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.214 22.205 -7.809 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.670 23.645 -8.725 1.00 0.00 H new ATOM 274 N HIS A 17 11.473 19.173 -4.828 1.00 0.00 N ATOM 275 CA HIS A 17 12.123 18.225 -5.712 1.00 0.00 C ATOM 276 C HIS A 17 11.077 17.584 -6.620 1.00 0.00 C ATOM 277 O HIS A 17 9.874 17.621 -6.347 1.00 0.00 O ATOM 278 CB HIS A 17 12.813 17.149 -4.856 1.00 0.00 C ATOM 279 CG HIS A 17 14.126 17.614 -4.295 1.00 0.00 C ATOM 280 ND1 HIS A 17 14.357 18.261 -3.105 1.00 0.00 N ATOM 281 CD2 HIS A 17 15.331 17.488 -4.921 1.00 0.00 C ATOM 282 CE1 HIS A 17 15.673 18.520 -3.023 1.00 0.00 C ATOM 283 NE2 HIS A 17 16.313 18.080 -4.120 1.00 0.00 N ATOM 0 H HIS A 17 11.401 18.834 -3.869 1.00 0.00 H new ATOM 0 HA HIS A 17 12.865 18.729 -6.331 1.00 0.00 H new ATOM 0 HB2 HIS A 17 12.153 16.862 -4.037 1.00 0.00 H new ATOM 0 HB3 HIS A 17 12.976 16.257 -5.461 1.00 0.00 H new ATOM 0 HD2 HIS A 17 15.499 17.011 -5.875 1.00 0.00 H new ATOM 0 HE1 HIS A 17 16.151 19.014 -2.190 1.00 0.00 H new ATOM 0 HE2 HIS A 17 17.309 18.161 -4.326 1.00 0.00 H new ATOM 291 N VAL A 18 11.551 16.921 -7.671 1.00 0.00 N ATOM 292 CA VAL A 18 10.727 16.062 -8.502 1.00 0.00 C ATOM 293 C VAL A 18 11.575 14.839 -8.811 1.00 0.00 C ATOM 294 O VAL A 18 12.801 14.931 -8.963 1.00 0.00 O ATOM 295 CB VAL A 18 10.243 16.761 -9.790 1.00 0.00 C ATOM 296 CG1 VAL A 18 8.956 16.102 -10.313 1.00 0.00 C ATOM 297 CG2 VAL A 18 9.976 18.264 -9.633 1.00 0.00 C ATOM 0 H VAL A 18 12.526 16.968 -7.968 1.00 0.00 H new ATOM 0 HA VAL A 18 9.811 15.791 -7.977 1.00 0.00 H new ATOM 0 HB VAL A 18 11.067 16.645 -10.495 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.631 16.609 -11.221 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.148 15.052 -10.533 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.175 16.177 -9.556 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.640 18.675 -10.585 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.205 18.420 -8.878 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.893 18.766 -9.324 1.00 0.00 H new ATOM 307 N LEU A 19 10.916 13.689 -8.851 1.00 0.00 N ATOM 308 CA LEU A 19 11.540 12.400 -9.085 1.00 0.00 C ATOM 309 C LEU A 19 10.640 11.590 -10.006 1.00 0.00 C ATOM 310 O LEU A 19 9.464 11.924 -10.183 1.00 0.00 O ATOM 311 CB LEU A 19 11.854 11.632 -7.775 1.00 0.00 C ATOM 312 CG LEU A 19 11.368 12.150 -6.400 1.00 0.00 C ATOM 313 CD1 LEU A 19 11.672 11.078 -5.355 1.00 0.00 C ATOM 314 CD2 LEU A 19 12.068 13.451 -5.976 1.00 0.00 C ATOM 0 H LEU A 19 9.907 13.629 -8.718 1.00 0.00 H new ATOM 0 HA LEU A 19 12.508 12.565 -9.558 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.454 10.625 -7.894 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.938 11.539 -7.714 1.00 0.00 H new ATOM 0 HG LEU A 19 10.301 12.359 -6.479 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.338 11.420 -4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.150 10.157 -5.615 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.745 10.891 -5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 19 11.689 13.768 -5.005 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.142 13.281 -5.908 1.00 0.00 H new ATOM 0 HD23 LEU A 19 11.870 14.228 -6.714 1.00 0.00 H new ATOM 326 N MET A 20 11.182 10.507 -10.566 1.00 0.00 N ATOM 327 CA MET A 20 10.384 9.527 -11.272 1.00 0.00 C ATOM 328 C MET A 20 10.195 8.406 -10.284 1.00 0.00 C ATOM 329 O MET A 20 11.138 7.685 -9.947 1.00 0.00 O ATOM 330 CB MET A 20 11.004 9.071 -12.590 1.00 0.00 C ATOM 331 CG MET A 20 10.566 10.056 -13.675 1.00 0.00 C ATOM 332 SD MET A 20 11.206 9.745 -15.344 1.00 0.00 S ATOM 333 CE MET A 20 10.631 8.053 -15.643 1.00 0.00 C ATOM 0 H MET A 20 12.179 10.294 -10.539 1.00 0.00 H new ATOM 0 HA MET A 20 9.431 9.947 -11.593 1.00 0.00 H new ATOM 0 HB2 MET A 20 12.091 9.045 -12.513 1.00 0.00 H new ATOM 0 HB3 MET A 20 10.678 8.061 -12.837 1.00 0.00 H new ATOM 0 HG2 MET A 20 9.477 10.054 -13.720 1.00 0.00 H new ATOM 0 HG3 MET A 20 10.871 11.058 -13.372 1.00 0.00 H new ATOM 0 HE1 MET A 20 10.509 7.894 -16.714 1.00 0.00 H new ATOM 0 HE2 MET A 20 11.363 7.346 -15.252 1.00 0.00 H new ATOM 0 HE3 MET A 20 9.675 7.900 -15.142 1.00 0.00 H new ATOM 343 N LEU A 21 8.978 8.362 -9.767 1.00 0.00 N ATOM 344 CA LEU A 21 8.521 7.454 -8.744 1.00 0.00 C ATOM 345 C LEU A 21 7.964 6.265 -9.511 1.00 0.00 C ATOM 346 O LEU A 21 7.088 6.426 -10.356 1.00 0.00 O ATOM 347 CB LEU A 21 7.491 8.218 -7.903 1.00 0.00 C ATOM 348 CG LEU A 21 6.959 7.448 -6.688 1.00 0.00 C ATOM 349 CD1 LEU A 21 6.466 8.447 -5.634 1.00 0.00 C ATOM 350 CD2 LEU A 21 5.784 6.549 -7.084 1.00 0.00 C ATOM 0 H LEU A 21 8.244 9.000 -10.073 1.00 0.00 H new ATOM 0 HA LEU A 21 9.276 7.092 -8.047 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.942 9.148 -7.558 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.650 8.489 -8.541 1.00 0.00 H new ATOM 0 HG LEU A 21 7.766 6.832 -6.292 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.087 7.905 -4.768 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.292 9.089 -5.327 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.669 9.058 -6.057 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.424 6.013 -6.206 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.979 7.161 -7.491 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.112 5.832 -7.837 1.00 0.00 H new ATOM 362 N CYS A 22 8.500 5.082 -9.254 1.00 0.00 N ATOM 363 CA CYS A 22 8.294 3.914 -10.093 1.00 0.00 C ATOM 364 C CYS A 22 7.956 2.703 -9.239 1.00 0.00 C ATOM 365 O CYS A 22 8.132 2.732 -8.024 1.00 0.00 O ATOM 366 CB CYS A 22 9.596 3.665 -10.872 1.00 0.00 C ATOM 367 SG CYS A 22 10.128 5.192 -11.701 1.00 0.00 S ATOM 0 H CYS A 22 9.098 4.905 -8.447 1.00 0.00 H new ATOM 0 HA CYS A 22 7.464 4.082 -10.779 1.00 0.00 H new ATOM 0 HB2 CYS A 22 10.375 3.320 -10.193 1.00 0.00 H new ATOM 0 HB3 CYS A 22 9.443 2.876 -11.609 1.00 0.00 H new ATOM 0 HG CYS A 22 10.725 5.966 -10.844 1.00 0.00 H new ATOM 373 N ASP A 23 7.485 1.632 -9.873 1.00 0.00 N ATOM 374 CA ASP A 23 7.358 0.321 -9.230 1.00 0.00 C ATOM 375 C ASP A 23 8.702 -0.056 -8.587 1.00 0.00 C ATOM 376 O ASP A 23 9.753 0.312 -9.119 1.00 0.00 O ATOM 377 CB ASP A 23 6.942 -0.706 -10.297 1.00 0.00 C ATOM 378 CG ASP A 23 7.426 -2.126 -9.978 1.00 0.00 C ATOM 379 OD1 ASP A 23 6.789 -2.809 -9.147 1.00 0.00 O ATOM 380 OD2 ASP A 23 8.449 -2.533 -10.571 1.00 0.00 O ATOM 0 H ASP A 23 7.180 1.645 -10.846 1.00 0.00 H new ATOM 0 HA ASP A 23 6.600 0.341 -8.447 1.00 0.00 H new ATOM 0 HB2 ASP A 23 5.856 -0.709 -10.387 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.341 -0.400 -11.264 1.00 0.00 H new ATOM 385 N ALA A 24 8.688 -0.783 -7.463 1.00 0.00 N ATOM 386 CA ALA A 24 9.879 -1.327 -6.808 1.00 0.00 C ATOM 387 C ALA A 24 10.535 -2.414 -7.684 1.00 0.00 C ATOM 388 O ALA A 24 10.415 -3.612 -7.413 1.00 0.00 O ATOM 389 CB ALA A 24 9.522 -1.829 -5.403 1.00 0.00 C ATOM 0 H ALA A 24 7.824 -1.014 -6.973 1.00 0.00 H new ATOM 0 HA ALA A 24 10.621 -0.538 -6.689 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.414 -2.232 -4.923 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.133 -1.002 -4.809 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.765 -2.610 -5.477 1.00 0.00 H new ATOM 395 N GLY A 25 11.194 -1.983 -8.758 1.00 0.00 N ATOM 396 CA GLY A 25 11.709 -2.824 -9.835 1.00 0.00 C ATOM 397 C GLY A 25 11.785 -2.068 -11.166 1.00 0.00 C ATOM 398 O GLY A 25 12.523 -2.474 -12.066 1.00 0.00 O ATOM 0 H GLY A 25 11.392 -0.994 -8.907 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.701 -3.189 -9.568 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.068 -3.698 -9.950 1.00 0.00 H new ATOM 402 N GLY A 26 11.055 -0.957 -11.284 1.00 0.00 N ATOM 403 CA GLY A 26 11.049 -0.061 -12.431 1.00 0.00 C ATOM 404 C GLY A 26 9.997 -0.418 -13.481 1.00 0.00 C ATOM 405 O GLY A 26 9.990 0.213 -14.538 1.00 0.00 O ATOM 0 H GLY A 26 10.424 -0.647 -10.545 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.874 0.958 -12.085 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.034 -0.074 -12.897 1.00 0.00 H new ATOM 409 N ALA A 27 9.120 -1.402 -13.235 1.00 0.00 N ATOM 410 CA ALA A 27 8.199 -1.925 -14.248 1.00 0.00 C ATOM 411 C ALA A 27 7.071 -0.948 -14.632 1.00 0.00 C ATOM 412 O ALA A 27 6.376 -1.180 -15.622 1.00 0.00 O ATOM 413 CB ALA A 27 7.597 -3.244 -13.752 1.00 0.00 C ATOM 0 H ALA A 27 9.031 -1.856 -12.326 1.00 0.00 H new ATOM 0 HA ALA A 27 8.786 -2.079 -15.153 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.911 -3.636 -14.503 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.395 -3.965 -13.578 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.056 -3.070 -12.822 1.00 0.00 H new ATOM 419 N ILE A 28 6.869 0.122 -13.859 1.00 0.00 N ATOM 420 CA ILE A 28 5.848 1.148 -14.040 1.00 0.00 C ATOM 421 C ILE A 28 6.564 2.453 -13.693 1.00 0.00 C ATOM 422 O ILE A 28 7.393 2.456 -12.779 1.00 0.00 O ATOM 423 CB ILE A 28 4.634 0.892 -13.105 1.00 0.00 C ATOM 424 CG1 ILE A 28 4.033 -0.521 -13.314 1.00 0.00 C ATOM 425 CG2 ILE A 28 3.550 1.974 -13.298 1.00 0.00 C ATOM 426 CD1 ILE A 28 2.838 -0.848 -12.411 1.00 0.00 C ATOM 0 H ILE A 28 7.451 0.303 -13.041 1.00 0.00 H new ATOM 0 HA ILE A 28 5.438 1.163 -15.050 1.00 0.00 H new ATOM 0 HB ILE A 28 5.001 0.947 -12.080 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.723 -0.619 -14.354 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.814 -1.262 -13.143 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.711 1.772 -12.632 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.969 2.954 -13.067 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.204 1.962 -14.331 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.484 -1.856 -12.627 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.144 -0.787 -11.367 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.036 -0.134 -12.596 1.00 0.00 H new ATOM 438 N LYS A 29 6.247 3.547 -14.387 1.00 0.00 N ATOM 439 CA LYS A 29 6.903 4.842 -14.227 1.00 0.00 C ATOM 440 C LYS A 29 5.832 5.902 -13.978 1.00 0.00 C ATOM 441 O LYS A 29 4.829 5.952 -14.694 1.00 0.00 O ATOM 442 CB LYS A 29 7.690 5.201 -15.506 1.00 0.00 C ATOM 443 CG LYS A 29 8.856 4.281 -15.915 1.00 0.00 C ATOM 444 CD LYS A 29 9.969 4.196 -14.860 1.00 0.00 C ATOM 445 CE LYS A 29 11.305 3.633 -15.374 1.00 0.00 C ATOM 446 NZ LYS A 29 11.174 2.303 -16.026 1.00 0.00 N ATOM 0 H LYS A 29 5.510 3.556 -15.092 1.00 0.00 H new ATOM 0 HA LYS A 29 7.597 4.799 -13.388 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.983 5.235 -16.335 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.086 6.209 -15.383 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.469 3.280 -16.105 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.281 4.641 -16.852 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.143 5.193 -14.455 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.622 3.573 -14.036 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.738 4.337 -16.085 1.00 0.00 H new ATOM 0 HE3 LYS A 29 12.002 3.553 -14.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.117 1.951 -16.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.726 1.636 -15.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.587 2.391 -16.880 1.00 0.00 H new ATOM 460 N MET A 30 6.066 6.786 -13.016 1.00 0.00 N ATOM 461 CA MET A 30 5.280 7.984 -12.741 1.00 0.00 C ATOM 462 C MET A 30 6.270 9.121 -12.483 1.00 0.00 C ATOM 463 O MET A 30 7.464 8.883 -12.302 1.00 0.00 O ATOM 464 CB MET A 30 4.352 7.777 -11.525 1.00 0.00 C ATOM 465 CG MET A 30 3.290 6.693 -11.745 1.00 0.00 C ATOM 466 SD MET A 30 2.137 6.457 -10.361 1.00 0.00 S ATOM 467 CE MET A 30 1.282 8.059 -10.342 1.00 0.00 C ATOM 0 H MET A 30 6.850 6.682 -12.372 1.00 0.00 H new ATOM 0 HA MET A 30 4.635 8.218 -13.588 1.00 0.00 H new ATOM 0 HB2 MET A 30 4.956 7.512 -10.657 1.00 0.00 H new ATOM 0 HB3 MET A 30 3.856 8.719 -11.292 1.00 0.00 H new ATOM 0 HG2 MET A 30 2.717 6.943 -12.638 1.00 0.00 H new ATOM 0 HG3 MET A 30 3.794 5.747 -11.944 1.00 0.00 H new ATOM 0 HE1 MET A 30 0.397 7.992 -9.709 1.00 0.00 H new ATOM 0 HE2 MET A 30 1.952 8.824 -9.949 1.00 0.00 H new ATOM 0 HE3 MET A 30 0.984 8.324 -11.356 1.00 0.00 H new ATOM 477 N ILE A 31 5.783 10.356 -12.440 1.00 0.00 N ATOM 478 CA ILE A 31 6.531 11.528 -12.000 1.00 0.00 C ATOM 479 C ILE A 31 5.869 11.931 -10.686 1.00 0.00 C ATOM 480 O ILE A 31 4.639 11.902 -10.603 1.00 0.00 O ATOM 481 CB ILE A 31 6.459 12.649 -13.050 1.00 0.00 C ATOM 482 CG1 ILE A 31 7.101 12.211 -14.385 1.00 0.00 C ATOM 483 CG2 ILE A 31 7.165 13.926 -12.562 1.00 0.00 C ATOM 484 CD1 ILE A 31 6.370 12.894 -15.535 1.00 0.00 C ATOM 0 H ILE A 31 4.827 10.576 -12.719 1.00 0.00 H new ATOM 0 HA ILE A 31 7.594 11.325 -11.868 1.00 0.00 H new ATOM 0 HB ILE A 31 5.401 12.859 -13.206 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.158 12.477 -14.400 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.044 11.128 -14.493 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.094 14.697 -13.329 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.688 14.279 -11.648 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.214 13.708 -12.362 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.817 12.590 -16.482 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.319 12.605 -15.521 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.451 13.976 -15.426 1.00 0.00 H new ATOM 496 N ALA A 32 6.650 12.314 -9.678 1.00 0.00 N ATOM 497 CA ALA A 32 6.136 12.760 -8.395 1.00 0.00 C ATOM 498 C ALA A 32 6.925 13.984 -7.959 1.00 0.00 C ATOM 499 O ALA A 32 8.157 13.971 -7.969 1.00 0.00 O ATOM 500 CB ALA A 32 6.261 11.644 -7.356 1.00 0.00 C ATOM 0 H ALA A 32 7.668 12.322 -9.735 1.00 0.00 H new ATOM 0 HA ALA A 32 5.080 13.016 -8.486 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.872 11.992 -6.399 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.691 10.775 -7.685 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.309 11.368 -7.243 1.00 0.00 H new ATOM 506 N GLU A 33 6.210 15.032 -7.568 1.00 0.00 N ATOM 507 CA GLU A 33 6.776 16.221 -6.963 1.00 0.00 C ATOM 508 C GLU A 33 6.727 16.008 -5.453 1.00 0.00 C ATOM 509 O GLU A 33 5.699 15.567 -4.921 1.00 0.00 O ATOM 510 CB GLU A 33 5.923 17.436 -7.357 1.00 0.00 C ATOM 511 CG GLU A 33 6.539 18.759 -6.894 1.00 0.00 C ATOM 512 CD GLU A 33 5.562 19.923 -7.103 1.00 0.00 C ATOM 513 OE1 GLU A 33 5.372 20.380 -8.250 1.00 0.00 O ATOM 514 OE2 GLU A 33 5.024 20.451 -6.108 1.00 0.00 O ATOM 0 H GLU A 33 5.196 15.075 -7.667 1.00 0.00 H new ATOM 0 HA GLU A 33 7.800 16.398 -7.293 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.801 17.455 -8.440 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.927 17.332 -6.926 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.808 18.690 -5.840 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.460 18.949 -7.446 1.00 0.00 H new ATOM 521 N VAL A 34 7.815 16.325 -4.755 1.00 0.00 N ATOM 522 CA VAL A 34 7.927 16.084 -3.328 1.00 0.00 C ATOM 523 C VAL A 34 8.718 17.219 -2.682 1.00 0.00 C ATOM 524 O VAL A 34 9.600 17.810 -3.302 1.00 0.00 O ATOM 525 CB VAL A 34 8.591 14.709 -3.047 1.00 0.00 C ATOM 526 CG1 VAL A 34 8.034 13.546 -3.891 1.00 0.00 C ATOM 527 CG2 VAL A 34 10.114 14.717 -3.260 1.00 0.00 C ATOM 0 H VAL A 34 8.642 16.756 -5.168 1.00 0.00 H new ATOM 0 HA VAL A 34 6.928 16.057 -2.892 1.00 0.00 H new ATOM 0 HB VAL A 34 8.347 14.544 -1.997 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.555 12.625 -3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.969 13.430 -3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 34 8.184 13.760 -4.949 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.516 13.727 -3.047 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.335 14.984 -4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.571 15.446 -2.591 1.00 0.00 H new ATOM 537 N LYS A 35 8.418 17.522 -1.427 1.00 0.00 N ATOM 538 CA LYS A 35 9.282 18.330 -0.580 1.00 0.00 C ATOM 539 C LYS A 35 10.227 17.350 0.110 1.00 0.00 C ATOM 540 O LYS A 35 10.003 16.139 0.058 1.00 0.00 O ATOM 541 CB LYS A 35 8.442 19.155 0.411 1.00 0.00 C ATOM 542 CG LYS A 35 8.815 20.633 0.287 1.00 0.00 C ATOM 543 CD LYS A 35 7.888 21.507 1.146 1.00 0.00 C ATOM 544 CE LYS A 35 8.215 22.995 0.959 1.00 0.00 C ATOM 545 NZ LYS A 35 7.318 23.872 1.753 1.00 0.00 N ATOM 0 H LYS A 35 7.563 17.212 -0.966 1.00 0.00 H new ATOM 0 HA LYS A 35 9.857 19.061 -1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.380 19.018 0.206 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.617 18.809 1.430 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.850 20.778 0.598 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.749 20.942 -0.756 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.849 21.321 0.873 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.995 21.236 2.196 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.249 23.177 1.251 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.131 23.253 -0.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.576 24.867 1.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.333 23.719 1.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.416 23.645 2.763 1.00 0.00 H new ATOM 559 N SER A 36 11.263 17.839 0.777 1.00 0.00 N ATOM 560 CA SER A 36 12.337 16.976 1.245 1.00 0.00 C ATOM 561 C SER A 36 12.991 17.520 2.508 1.00 0.00 C ATOM 562 O SER A 36 13.070 18.738 2.691 1.00 0.00 O ATOM 563 CB SER A 36 13.361 16.875 0.107 1.00 0.00 C ATOM 564 OG SER A 36 13.681 18.167 -0.396 1.00 0.00 O ATOM 0 H SER A 36 11.382 18.826 1.005 1.00 0.00 H new ATOM 0 HA SER A 36 11.939 15.995 1.504 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.266 16.385 0.467 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.961 16.255 -0.696 1.00 0.00 H new ATOM 0 HG SER A 36 13.685 18.145 -1.376 1.00 0.00 H new ATOM 570 N ASP A 37 13.514 16.611 3.336 1.00 0.00 N ATOM 571 CA ASP A 37 14.389 16.948 4.462 1.00 0.00 C ATOM 572 C ASP A 37 15.805 16.392 4.237 1.00 0.00 C ATOM 573 O ASP A 37 16.763 16.865 4.848 1.00 0.00 O ATOM 574 CB ASP A 37 13.782 16.449 5.778 1.00 0.00 C ATOM 575 CG ASP A 37 14.531 17.005 7.003 1.00 0.00 C ATOM 576 OD1 ASP A 37 14.690 18.242 7.116 1.00 0.00 O ATOM 577 OD2 ASP A 37 14.898 16.219 7.904 1.00 0.00 O ATOM 0 H ASP A 37 13.340 15.610 3.242 1.00 0.00 H new ATOM 0 HA ASP A 37 14.475 18.033 4.528 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.734 16.743 5.829 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.808 15.360 5.800 1.00 0.00 H new ATOM 582 N PHE A 38 15.948 15.446 3.298 1.00 0.00 N ATOM 583 CA PHE A 38 17.206 14.932 2.756 1.00 0.00 C ATOM 584 C PHE A 38 17.021 14.759 1.242 1.00 0.00 C ATOM 585 O PHE A 38 15.895 14.564 0.774 1.00 0.00 O ATOM 586 CB PHE A 38 17.578 13.582 3.392 1.00 0.00 C ATOM 587 CG PHE A 38 17.766 13.604 4.896 1.00 0.00 C ATOM 588 CD1 PHE A 38 16.638 13.572 5.737 1.00 0.00 C ATOM 589 CD2 PHE A 38 19.055 13.653 5.461 1.00 0.00 C ATOM 590 CE1 PHE A 38 16.795 13.602 7.131 1.00 0.00 C ATOM 591 CE2 PHE A 38 19.211 13.677 6.859 1.00 0.00 C ATOM 592 CZ PHE A 38 18.081 13.654 7.695 1.00 0.00 C ATOM 0 H PHE A 38 15.138 14.995 2.874 1.00 0.00 H new ATOM 0 HA PHE A 38 18.013 15.630 2.977 1.00 0.00 H new ATOM 0 HB2 PHE A 38 16.799 12.858 3.150 1.00 0.00 H new ATOM 0 HB3 PHE A 38 18.499 13.224 2.932 1.00 0.00 H new ATOM 0 HD1 PHE A 38 15.648 13.524 5.308 1.00 0.00 H new ATOM 0 HD2 PHE A 38 19.924 13.672 4.821 1.00 0.00 H new ATOM 0 HE1 PHE A 38 15.926 13.585 7.772 1.00 0.00 H new ATOM 0 HE2 PHE A 38 20.200 13.713 7.291 1.00 0.00 H new ATOM 0 HZ PHE A 38 18.201 13.676 8.768 1.00 0.00 H new ATOM 602 N ALA A 39 18.116 14.844 0.483 1.00 0.00 N ATOM 603 CA ALA A 39 18.114 14.722 -0.970 1.00 0.00 C ATOM 604 C ALA A 39 17.831 13.280 -1.431 1.00 0.00 C ATOM 605 O ALA A 39 17.807 12.341 -0.632 1.00 0.00 O ATOM 606 CB ALA A 39 19.463 15.216 -1.512 1.00 0.00 C ATOM 0 H ALA A 39 19.045 15.003 0.872 1.00 0.00 H new ATOM 0 HA ALA A 39 17.307 15.337 -1.369 1.00 0.00 H new ATOM 0 HB1 ALA A 39 19.472 15.129 -2.598 1.00 0.00 H new ATOM 0 HB2 ALA A 39 19.609 16.259 -1.230 1.00 0.00 H new ATOM 0 HB3 ALA A 39 20.267 14.611 -1.093 1.00 0.00 H new ATOM 612 N VAL A 40 17.706 13.107 -2.748 1.00 0.00 N ATOM 613 CA VAL A 40 17.585 11.829 -3.445 1.00 0.00 C ATOM 614 C VAL A 40 18.564 11.826 -4.616 1.00 0.00 C ATOM 615 O VAL A 40 18.969 12.891 -5.095 1.00 0.00 O ATOM 616 CB VAL A 40 16.141 11.567 -3.928 1.00 0.00 C ATOM 617 CG1 VAL A 40 15.432 10.656 -2.930 1.00 0.00 C ATOM 618 CG2 VAL A 40 15.302 12.831 -4.179 1.00 0.00 C ATOM 0 H VAL A 40 17.686 13.899 -3.390 1.00 0.00 H new ATOM 0 HA VAL A 40 17.826 11.022 -2.753 1.00 0.00 H new ATOM 0 HB VAL A 40 16.233 11.088 -4.903 1.00 0.00 H new ATOM 0 HG11 VAL A 40 14.413 10.469 -3.268 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.969 9.710 -2.856 1.00 0.00 H new ATOM 0 HG13 VAL A 40 15.407 11.137 -1.952 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.305 12.545 -4.515 1.00 0.00 H new ATOM 0 HG22 VAL A 40 15.223 13.405 -3.256 1.00 0.00 H new ATOM 0 HG23 VAL A 40 15.782 13.440 -4.945 1.00 0.00 H new ATOM 628 N LYS A 41 18.967 10.628 -5.048 1.00 0.00 N ATOM 629 CA LYS A 41 20.069 10.460 -6.005 1.00 0.00 C ATOM 630 C LYS A 41 19.955 9.173 -6.828 1.00 0.00 C ATOM 631 O LYS A 41 20.974 8.614 -7.239 1.00 0.00 O ATOM 632 CB LYS A 41 21.433 10.653 -5.293 1.00 0.00 C ATOM 633 CG LYS A 41 21.639 9.903 -3.964 1.00 0.00 C ATOM 634 CD LYS A 41 21.523 8.378 -4.090 1.00 0.00 C ATOM 635 CE LYS A 41 21.793 7.668 -2.757 1.00 0.00 C ATOM 636 NZ LYS A 41 20.758 7.963 -1.736 1.00 0.00 N ATOM 0 H LYS A 41 18.543 9.750 -4.748 1.00 0.00 H new ATOM 0 HA LYS A 41 19.997 11.247 -6.755 1.00 0.00 H new ATOM 0 HB2 LYS A 41 22.221 10.346 -5.981 1.00 0.00 H new ATOM 0 HB3 LYS A 41 21.570 11.718 -5.106 1.00 0.00 H new ATOM 0 HG2 LYS A 41 22.623 10.152 -3.566 1.00 0.00 H new ATOM 0 HG3 LYS A 41 20.904 10.256 -3.241 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.525 8.118 -4.443 1.00 0.00 H new ATOM 0 HD3 LYS A 41 22.229 8.022 -4.840 1.00 0.00 H new ATOM 0 HE2 LYS A 41 21.837 6.592 -2.925 1.00 0.00 H new ATOM 0 HE3 LYS A 41 22.769 7.972 -2.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 20.968 7.433 -0.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 20.755 8.982 -1.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.824 7.681 -2.097 1.00 0.00 H new ATOM 650 N VAL A 42 18.721 8.743 -7.102 1.00 0.00 N ATOM 651 CA VAL A 42 18.367 7.598 -7.937 1.00 0.00 C ATOM 652 C VAL A 42 18.746 6.257 -7.290 1.00 0.00 C ATOM 653 O VAL A 42 19.650 6.153 -6.457 1.00 0.00 O ATOM 654 CB VAL A 42 18.901 7.785 -9.382 1.00 0.00 C ATOM 655 CG1 VAL A 42 18.463 6.652 -10.320 1.00 0.00 C ATOM 656 CG2 VAL A 42 18.384 9.110 -9.957 1.00 0.00 C ATOM 0 H VAL A 42 17.898 9.212 -6.725 1.00 0.00 H new ATOM 0 HA VAL A 42 17.281 7.557 -8.017 1.00 0.00 H new ATOM 0 HB VAL A 42 19.989 7.779 -9.320 1.00 0.00 H new ATOM 0 HG11 VAL A 42 18.863 6.831 -11.318 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.840 5.701 -9.943 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.375 6.618 -10.366 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.761 9.238 -10.972 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.294 9.099 -9.973 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.729 9.936 -9.335 1.00 0.00 H new ATOM 666 N GLY A 43 18.001 5.216 -7.673 1.00 0.00 N ATOM 667 CA GLY A 43 18.054 3.908 -7.051 1.00 0.00 C ATOM 668 C GLY A 43 17.600 4.011 -5.599 1.00 0.00 C ATOM 669 O GLY A 43 18.111 3.267 -4.760 1.00 0.00 O ATOM 0 H GLY A 43 17.333 5.270 -8.442 1.00 0.00 H new ATOM 0 HA2 GLY A 43 17.415 3.211 -7.593 1.00 0.00 H new ATOM 0 HA3 GLY A 43 19.069 3.513 -7.098 1.00 0.00 H new ATOM 673 N ASP A 44 16.699 4.954 -5.283 1.00 0.00 N ATOM 674 CA ASP A 44 16.304 5.176 -3.881 1.00 0.00 C ATOM 675 C ASP A 44 14.933 4.557 -3.677 1.00 0.00 C ATOM 676 O ASP A 44 14.077 4.669 -4.549 1.00 0.00 O ATOM 677 CB ASP A 44 16.265 6.658 -3.459 1.00 0.00 C ATOM 678 CG ASP A 44 17.631 7.269 -3.164 1.00 0.00 C ATOM 679 OD1 ASP A 44 18.315 6.772 -2.241 1.00 0.00 O ATOM 680 OD2 ASP A 44 18.002 8.278 -3.803 1.00 0.00 O ATOM 0 H ASP A 44 16.239 5.563 -5.960 1.00 0.00 H new ATOM 0 HA ASP A 44 17.065 4.711 -3.255 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.786 7.235 -4.250 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.639 6.753 -2.572 1.00 0.00 H new ATOM 685 N LEU A 45 14.696 3.916 -2.535 1.00 0.00 N ATOM 686 CA LEU A 45 13.371 3.393 -2.209 1.00 0.00 C ATOM 687 C LEU A 45 12.523 4.526 -1.634 1.00 0.00 C ATOM 688 O LEU A 45 13.064 5.420 -0.977 1.00 0.00 O ATOM 689 CB LEU A 45 13.507 2.275 -1.162 1.00 0.00 C ATOM 690 CG LEU A 45 12.242 1.415 -0.956 1.00 0.00 C ATOM 691 CD1 LEU A 45 12.043 0.415 -2.101 1.00 0.00 C ATOM 692 CD2 LEU A 45 12.367 0.662 0.370 1.00 0.00 C ATOM 0 H LEU A 45 15.403 3.746 -1.820 1.00 0.00 H new ATOM 0 HA LEU A 45 12.898 2.993 -3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 45 14.328 1.621 -1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 45 13.782 2.724 -0.207 1.00 0.00 H new ATOM 0 HG LEU A 45 11.375 2.075 -0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.142 -0.172 -1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.941 0.955 -3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 45 12.904 -0.251 -2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.478 0.051 0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.248 0.021 0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.464 1.377 1.187 1.00 0.00 H new ATOM 704 N LEU A 46 11.205 4.441 -1.808 1.00 0.00 N ATOM 705 CA LEU A 46 10.209 5.262 -1.139 1.00 0.00 C ATOM 706 C LEU A 46 9.195 4.303 -0.537 1.00 0.00 C ATOM 707 O LEU A 46 8.555 3.540 -1.264 1.00 0.00 O ATOM 708 CB LEU A 46 9.489 6.226 -2.099 1.00 0.00 C ATOM 709 CG LEU A 46 10.372 7.302 -2.742 1.00 0.00 C ATOM 710 CD1 LEU A 46 9.525 8.167 -3.685 1.00 0.00 C ATOM 711 CD2 LEU A 46 11.048 8.207 -1.711 1.00 0.00 C ATOM 0 H LEU A 46 10.788 3.766 -2.449 1.00 0.00 H new ATOM 0 HA LEU A 46 10.699 5.883 -0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.024 5.641 -2.892 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.684 6.720 -1.554 1.00 0.00 H new ATOM 0 HG LEU A 46 11.158 6.782 -3.291 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.154 8.931 -4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.093 7.540 -4.465 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.725 8.645 -3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 46 11.660 8.949 -2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.287 8.712 -1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.679 7.605 -1.057 1.00 0.00 H new ATOM 723 N SER A 47 9.015 4.383 0.775 1.00 0.00 N ATOM 724 CA SER A 47 8.049 3.574 1.517 1.00 0.00 C ATOM 725 C SER A 47 7.204 4.502 2.393 1.00 0.00 C ATOM 726 O SER A 47 7.785 5.365 3.054 1.00 0.00 O ATOM 727 CB SER A 47 8.778 2.548 2.387 1.00 0.00 C ATOM 728 OG SER A 47 9.656 1.768 1.601 1.00 0.00 O ATOM 0 H SER A 47 9.545 5.023 1.367 1.00 0.00 H new ATOM 0 HA SER A 47 7.406 3.036 0.820 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.338 3.059 3.170 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.053 1.902 2.883 1.00 0.00 H new ATOM 0 HG SER A 47 10.116 1.118 2.172 1.00 0.00 H new ATOM 734 N PRO A 48 5.867 4.378 2.404 1.00 0.00 N ATOM 735 CA PRO A 48 5.009 5.300 3.136 1.00 0.00 C ATOM 736 C PRO A 48 5.181 5.143 4.648 1.00 0.00 C ATOM 737 O PRO A 48 5.550 4.076 5.148 1.00 0.00 O ATOM 738 CB PRO A 48 3.579 4.980 2.686 1.00 0.00 C ATOM 739 CG PRO A 48 3.653 3.514 2.258 1.00 0.00 C ATOM 740 CD PRO A 48 5.072 3.378 1.707 1.00 0.00 C ATOM 0 HA PRO A 48 5.264 6.339 2.925 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.863 5.125 3.495 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.265 5.622 1.863 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.482 2.841 3.098 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.904 3.278 1.502 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.464 2.376 1.881 1.00 0.00 H new ATOM 0 HD3 PRO A 48 5.091 3.545 0.630 1.00 0.00 H new ATOM 748 N LEU A 49 4.844 6.210 5.375 1.00 0.00 N ATOM 749 CA LEU A 49 4.852 6.262 6.840 1.00 0.00 C ATOM 750 C LEU A 49 3.479 6.680 7.360 1.00 0.00 C ATOM 751 O LEU A 49 2.997 6.160 8.366 1.00 0.00 O ATOM 752 CB LEU A 49 5.896 7.293 7.307 1.00 0.00 C ATOM 753 CG LEU A 49 7.351 6.846 7.097 1.00 0.00 C ATOM 754 CD1 LEU A 49 8.283 8.046 7.294 1.00 0.00 C ATOM 755 CD2 LEU A 49 7.723 5.720 8.071 1.00 0.00 C ATOM 0 H LEU A 49 4.549 7.088 4.949 1.00 0.00 H new ATOM 0 HA LEU A 49 5.099 5.273 7.227 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.733 8.228 6.772 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.739 7.500 8.366 1.00 0.00 H new ATOM 0 HG LEU A 49 7.459 6.462 6.083 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.316 7.732 7.146 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.033 8.823 6.572 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.164 8.437 8.304 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.758 5.421 7.903 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.609 6.073 9.096 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.067 4.865 7.907 1.00 0.00 H new ATOM 767 N GLN A 50 2.860 7.614 6.648 1.00 0.00 N ATOM 768 CA GLN A 50 1.535 8.178 6.848 1.00 0.00 C ATOM 769 C GLN A 50 1.173 8.831 5.505 1.00 0.00 C ATOM 770 O GLN A 50 1.887 8.633 4.514 1.00 0.00 O ATOM 771 CB GLN A 50 1.565 9.199 8.008 1.00 0.00 C ATOM 772 CG GLN A 50 2.705 10.226 7.890 1.00 0.00 C ATOM 773 CD GLN A 50 2.382 11.528 8.619 1.00 0.00 C ATOM 774 OE1 GLN A 50 2.495 11.632 9.838 1.00 0.00 O ATOM 775 NE2 GLN A 50 1.972 12.547 7.881 1.00 0.00 N ATOM 0 H GLN A 50 3.319 8.034 5.840 1.00 0.00 H new ATOM 0 HA GLN A 50 0.791 7.432 7.127 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.612 9.727 8.042 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.666 8.663 8.952 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.621 9.799 8.299 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.894 10.437 6.838 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.884 12.442 6.870 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.744 13.438 8.323 1.00 0.00 H new ATOM 784 N ASN A 51 0.105 9.634 5.445 1.00 0.00 N ATOM 785 CA ASN A 51 -0.114 10.466 4.264 1.00 0.00 C ATOM 786 C ASN A 51 1.071 11.416 4.099 1.00 0.00 C ATOM 787 O ASN A 51 1.653 11.900 5.075 1.00 0.00 O ATOM 788 CB ASN A 51 -1.427 11.253 4.326 1.00 0.00 C ATOM 789 CG ASN A 51 -1.527 12.302 3.219 1.00 0.00 C ATOM 790 OD1 ASN A 51 -1.480 13.499 3.478 1.00 0.00 O ATOM 791 ND2 ASN A 51 -1.602 11.881 1.964 1.00 0.00 N ATOM 0 H ASN A 51 -0.600 9.723 6.177 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.194 9.806 3.400 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.266 10.562 4.246 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.509 11.743 5.296 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.621 12.556 1.200 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.640 10.882 1.763 1.00 0.00 H new ATOM 798 N ALA A 52 1.369 11.685 2.835 1.00 0.00 N ATOM 799 CA ALA A 52 2.442 12.480 2.265 1.00 0.00 C ATOM 800 C ALA A 52 3.868 12.062 2.644 1.00 0.00 C ATOM 801 O ALA A 52 4.727 12.121 1.768 1.00 0.00 O ATOM 802 CB ALA A 52 2.189 13.968 2.523 1.00 0.00 C ATOM 0 H ALA A 52 0.786 11.299 2.092 1.00 0.00 H new ATOM 0 HA ALA A 52 2.408 12.279 1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.000 14.555 2.091 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.245 14.261 2.065 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.142 14.148 3.597 1.00 0.00 H new ATOM 808 N LEU A 53 4.171 11.661 3.881 1.00 0.00 N ATOM 809 CA LEU A 53 5.538 11.296 4.253 1.00 0.00 C ATOM 810 C LEU A 53 5.873 9.905 3.736 1.00 0.00 C ATOM 811 O LEU A 53 5.167 8.936 4.035 1.00 0.00 O ATOM 812 CB LEU A 53 5.815 11.347 5.764 1.00 0.00 C ATOM 813 CG LEU A 53 5.877 12.762 6.371 1.00 0.00 C ATOM 814 CD1 LEU A 53 6.070 12.652 7.887 1.00 0.00 C ATOM 815 CD2 LEU A 53 7.025 13.607 5.796 1.00 0.00 C ATOM 0 H LEU A 53 3.492 11.581 4.638 1.00 0.00 H new ATOM 0 HA LEU A 53 6.175 12.049 3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.038 10.782 6.279 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.761 10.842 5.961 1.00 0.00 H new ATOM 0 HG LEU A 53 4.939 13.258 6.122 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.115 13.651 8.322 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.234 12.104 8.321 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.999 12.123 8.098 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.019 14.593 6.260 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.976 13.115 6.000 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.895 13.713 4.719 1.00 0.00 H new ATOM 827 N TYR A 54 7.010 9.808 3.049 1.00 0.00 N ATOM 828 CA TYR A 54 7.628 8.556 2.646 1.00 0.00 C ATOM 829 C TYR A 54 9.091 8.610 3.087 1.00 0.00 C ATOM 830 O TYR A 54 9.717 9.674 3.061 1.00 0.00 O ATOM 831 CB TYR A 54 7.534 8.336 1.122 1.00 0.00 C ATOM 832 CG TYR A 54 6.169 7.950 0.567 1.00 0.00 C ATOM 833 CD1 TYR A 54 5.104 8.868 0.597 1.00 0.00 C ATOM 834 CD2 TYR A 54 5.975 6.692 -0.037 1.00 0.00 C ATOM 835 CE1 TYR A 54 3.848 8.532 0.064 1.00 0.00 C ATOM 836 CE2 TYR A 54 4.725 6.346 -0.582 1.00 0.00 C ATOM 837 CZ TYR A 54 3.650 7.265 -0.529 1.00 0.00 C ATOM 838 OH TYR A 54 2.429 6.951 -1.047 1.00 0.00 O ATOM 0 H TYR A 54 7.539 10.627 2.750 1.00 0.00 H new ATOM 0 HA TYR A 54 7.107 7.721 3.114 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.856 9.252 0.626 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.245 7.557 0.847 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.253 9.844 1.035 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.792 5.988 -0.082 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.035 9.241 0.108 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.586 5.378 -1.041 1.00 0.00 H new ATOM 0 HH TYR A 54 2.455 6.045 -1.419 1.00 0.00 H new ATOM 848 N CYS A 55 9.618 7.456 3.489 1.00 0.00 N ATOM 849 CA CYS A 55 11.034 7.217 3.744 1.00 0.00 C ATOM 850 C CYS A 55 11.841 7.461 2.464 1.00 0.00 C ATOM 851 O CYS A 55 11.280 7.366 1.373 1.00 0.00 O ATOM 852 CB CYS A 55 11.248 5.745 4.146 1.00 0.00 C ATOM 853 SG CYS A 55 10.041 5.142 5.360 1.00 0.00 S ATOM 0 H CYS A 55 9.045 6.628 3.652 1.00 0.00 H new ATOM 0 HA CYS A 55 11.358 7.888 4.539 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.196 5.122 3.253 1.00 0.00 H new ATOM 0 HB3 CYS A 55 12.252 5.631 4.556 1.00 0.00 H new ATOM 0 HG CYS A 55 8.867 5.070 4.806 1.00 0.00 H new ATOM 859 N ILE A 56 13.157 7.642 2.578 1.00 0.00 N ATOM 860 CA ILE A 56 14.088 7.659 1.453 1.00 0.00 C ATOM 861 C ILE A 56 15.050 6.485 1.631 1.00 0.00 C ATOM 862 O ILE A 56 15.378 6.090 2.752 1.00 0.00 O ATOM 863 CB ILE A 56 14.879 8.993 1.396 1.00 0.00 C ATOM 864 CG1 ILE A 56 13.959 10.233 1.321 1.00 0.00 C ATOM 865 CG2 ILE A 56 15.865 9.021 0.199 1.00 0.00 C ATOM 866 CD1 ILE A 56 14.697 11.490 1.792 1.00 0.00 C ATOM 0 H ILE A 56 13.615 7.784 3.478 1.00 0.00 H new ATOM 0 HA ILE A 56 13.536 7.571 0.517 1.00 0.00 H new ATOM 0 HB ILE A 56 15.438 9.040 2.330 1.00 0.00 H new ATOM 0 HG12 ILE A 56 13.612 10.372 0.297 1.00 0.00 H new ATOM 0 HG13 ILE A 56 13.075 10.073 1.938 1.00 0.00 H new ATOM 0 HG21 ILE A 56 16.401 9.970 0.191 1.00 0.00 H new ATOM 0 HG22 ILE A 56 16.578 8.202 0.296 1.00 0.00 H new ATOM 0 HG23 ILE A 56 15.310 8.910 -0.732 1.00 0.00 H new ATOM 0 HD11 ILE A 56 14.029 12.349 1.730 1.00 0.00 H new ATOM 0 HD12 ILE A 56 15.021 11.356 2.824 1.00 0.00 H new ATOM 0 HD13 ILE A 56 15.567 11.660 1.158 1.00 0.00 H new ATOM 878 N ASN A 57 15.561 5.994 0.503 1.00 0.00 N ATOM 879 CA ASN A 57 16.668 5.058 0.343 1.00 0.00 C ATOM 880 C ASN A 57 16.343 3.653 0.817 1.00 0.00 C ATOM 881 O ASN A 57 16.324 2.746 -0.008 1.00 0.00 O ATOM 882 CB ASN A 57 17.956 5.568 1.015 1.00 0.00 C ATOM 883 CG ASN A 57 19.124 4.702 0.567 1.00 0.00 C ATOM 884 OD1 ASN A 57 19.642 3.876 1.310 1.00 0.00 O ATOM 885 ND2 ASN A 57 19.524 4.861 -0.679 1.00 0.00 N ATOM 0 H ASN A 57 15.175 6.267 -0.401 1.00 0.00 H new ATOM 0 HA ASN A 57 16.839 4.999 -0.732 1.00 0.00 H new ATOM 0 HB2 ASN A 57 18.134 6.609 0.746 1.00 0.00 H new ATOM 0 HB3 ASN A 57 17.855 5.532 2.100 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.283 4.289 -1.048 1.00 0.00 H new ATOM 0 HD22 ASN A 57 19.074 5.556 -1.274 1.00 0.00 H new ATOM 892 N ARG A 58 16.085 3.501 2.118 1.00 0.00 N ATOM 893 CA ARG A 58 15.724 2.273 2.820 1.00 0.00 C ATOM 894 C ARG A 58 15.368 2.550 4.289 1.00 0.00 C ATOM 895 O ARG A 58 15.150 1.589 5.026 1.00 0.00 O ATOM 896 CB ARG A 58 16.886 1.252 2.743 1.00 0.00 C ATOM 897 CG ARG A 58 18.147 1.674 3.526 1.00 0.00 C ATOM 898 CD ARG A 58 19.378 0.834 3.160 1.00 0.00 C ATOM 899 NE ARG A 58 19.201 -0.594 3.492 1.00 0.00 N ATOM 900 CZ ARG A 58 18.980 -1.600 2.634 1.00 0.00 C ATOM 901 NH1 ARG A 58 18.895 -1.379 1.323 1.00 0.00 N ATOM 902 NH2 ARG A 58 18.841 -2.838 3.098 1.00 0.00 N ATOM 0 H ARG A 58 16.127 4.297 2.755 1.00 0.00 H new ATOM 0 HA ARG A 58 14.843 1.857 2.331 1.00 0.00 H new ATOM 0 HB2 ARG A 58 16.538 0.292 3.125 1.00 0.00 H new ATOM 0 HB3 ARG A 58 17.154 1.101 1.697 1.00 0.00 H new ATOM 0 HG2 ARG A 58 18.358 2.725 3.329 1.00 0.00 H new ATOM 0 HG3 ARG A 58 17.954 1.582 4.595 1.00 0.00 H new ATOM 0 HD2 ARG A 58 19.580 0.934 2.094 1.00 0.00 H new ATOM 0 HD3 ARG A 58 20.250 1.222 3.687 1.00 0.00 H new ATOM 0 HE ARG A 58 19.252 -0.841 4.480 1.00 0.00 H new ATOM 0 HH11 ARG A 58 18.999 -0.432 0.958 1.00 0.00 H new ATOM 0 HH12 ARG A 58 18.726 -2.156 0.685 1.00 0.00 H new ATOM 0 HH21 ARG A 58 18.903 -3.017 4.100 1.00 0.00 H new ATOM 0 HH22 ARG A 58 18.673 -3.609 2.452 1.00 0.00 H new ATOM 916 N GLU A 59 15.347 3.809 4.754 1.00 0.00 N ATOM 917 CA GLU A 59 15.281 4.114 6.182 1.00 0.00 C ATOM 918 C GLU A 59 14.352 5.293 6.468 1.00 0.00 C ATOM 919 O GLU A 59 14.309 6.280 5.736 1.00 0.00 O ATOM 920 CB GLU A 59 16.702 4.344 6.724 1.00 0.00 C ATOM 921 CG GLU A 59 17.414 5.593 6.167 1.00 0.00 C ATOM 922 CD GLU A 59 18.946 5.495 6.293 1.00 0.00 C ATOM 923 OE1 GLU A 59 19.473 5.358 7.421 1.00 0.00 O ATOM 924 OE2 GLU A 59 19.642 5.555 5.255 1.00 0.00 O ATOM 0 H GLU A 59 15.375 4.633 4.153 1.00 0.00 H new ATOM 0 HA GLU A 59 14.849 3.261 6.706 1.00 0.00 H new ATOM 0 HB2 GLU A 59 16.652 4.426 7.810 1.00 0.00 H new ATOM 0 HB3 GLU A 59 17.308 3.467 6.498 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.145 5.725 5.119 1.00 0.00 H new ATOM 0 HG3 GLU A 59 17.063 6.477 6.700 1.00 0.00 H new ATOM 931 N LYS A 60 13.600 5.174 7.564 1.00 0.00 N ATOM 932 CA LYS A 60 12.487 6.068 7.886 1.00 0.00 C ATOM 933 C LYS A 60 12.898 7.430 8.428 1.00 0.00 C ATOM 934 O LYS A 60 12.080 8.345 8.422 1.00 0.00 O ATOM 935 CB LYS A 60 11.494 5.374 8.836 1.00 0.00 C ATOM 936 CG LYS A 60 12.061 5.016 10.220 1.00 0.00 C ATOM 937 CD LYS A 60 10.977 4.342 11.076 1.00 0.00 C ATOM 938 CE LYS A 60 11.495 3.902 12.455 1.00 0.00 C ATOM 939 NZ LYS A 60 11.808 5.042 13.355 1.00 0.00 N ATOM 0 H LYS A 60 13.749 4.445 8.261 1.00 0.00 H new ATOM 0 HA LYS A 60 12.000 6.279 6.934 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.629 6.024 8.971 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.136 4.461 8.360 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.916 4.349 10.110 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.421 5.916 10.718 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.144 5.032 11.209 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.589 3.473 10.545 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.748 3.267 12.931 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.391 3.296 12.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.152 4.680 14.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.542 5.637 12.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.950 5.609 13.509 1.00 0.00 H new ATOM 953 N LEU A 61 14.131 7.578 8.922 1.00 0.00 N ATOM 954 CA LEU A 61 14.603 8.840 9.477 1.00 0.00 C ATOM 955 C LEU A 61 14.860 9.888 8.394 1.00 0.00 C ATOM 956 O LEU A 61 14.888 11.081 8.690 1.00 0.00 O ATOM 957 CB LEU A 61 15.826 8.666 10.387 1.00 0.00 C ATOM 958 CG LEU A 61 17.051 7.995 9.743 1.00 0.00 C ATOM 959 CD1 LEU A 61 18.350 8.596 10.294 1.00 0.00 C ATOM 960 CD2 LEU A 61 17.066 6.483 10.011 1.00 0.00 C ATOM 0 H LEU A 61 14.822 6.829 8.946 1.00 0.00 H new ATOM 0 HA LEU A 61 13.793 9.211 10.104 1.00 0.00 H new ATOM 0 HB2 LEU A 61 16.125 9.648 10.754 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.528 8.078 11.255 1.00 0.00 H new ATOM 0 HG LEU A 61 16.983 8.171 8.670 1.00 0.00 H new ATOM 0 HD11 LEU A 61 19.204 8.107 9.826 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.378 9.664 10.076 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.392 8.445 11.373 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.944 6.039 9.542 1.00 0.00 H new ATOM 0 HD22 LEU A 61 17.099 6.304 11.086 1.00 0.00 H new ATOM 0 HD23 LEU A 61 16.166 6.031 9.595 1.00 0.00 H new ATOM 972 N HIS A 62 15.042 9.451 7.149 1.00 0.00 N ATOM 973 CA HIS A 62 15.215 10.317 5.994 1.00 0.00 C ATOM 974 C HIS A 62 13.881 10.344 5.248 1.00 0.00 C ATOM 975 O HIS A 62 13.396 9.280 4.867 1.00 0.00 O ATOM 976 CB HIS A 62 16.345 9.768 5.104 1.00 0.00 C ATOM 977 CG HIS A 62 17.698 9.611 5.762 1.00 0.00 C ATOM 978 ND1 HIS A 62 18.747 8.868 5.267 1.00 0.00 N ATOM 979 CD2 HIS A 62 18.131 10.176 6.934 1.00 0.00 C ATOM 980 CE1 HIS A 62 19.779 8.980 6.119 1.00 0.00 C ATOM 981 NE2 HIS A 62 19.454 9.772 7.156 1.00 0.00 N ATOM 0 H HIS A 62 15.073 8.459 6.914 1.00 0.00 H new ATOM 0 HA HIS A 62 15.494 11.329 6.288 1.00 0.00 H new ATOM 0 HB2 HIS A 62 16.036 8.796 4.719 1.00 0.00 H new ATOM 0 HB3 HIS A 62 16.457 10.430 4.245 1.00 0.00 H new ATOM 0 HD2 HIS A 62 17.551 10.822 7.576 1.00 0.00 H new ATOM 0 HE1 HIS A 62 20.738 8.500 5.989 1.00 0.00 H new ATOM 0 HE2 HIS A 62 20.050 10.027 7.944 1.00 0.00 H new ATOM 989 N THR A 63 13.273 11.518 5.041 1.00 0.00 N ATOM 990 CA THR A 63 11.909 11.610 4.530 1.00 0.00 C ATOM 991 C THR A 63 11.743 12.648 3.416 1.00 0.00 C ATOM 992 O THR A 63 12.448 13.664 3.359 1.00 0.00 O ATOM 993 CB THR A 63 10.969 11.936 5.707 1.00 0.00 C ATOM 994 OG1 THR A 63 11.449 13.037 6.463 1.00 0.00 O ATOM 995 CG2 THR A 63 10.864 10.757 6.672 1.00 0.00 C ATOM 0 H THR A 63 13.712 12.421 5.222 1.00 0.00 H new ATOM 0 HA THR A 63 11.658 10.649 4.081 1.00 0.00 H new ATOM 0 HB THR A 63 9.999 12.165 5.265 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.831 13.221 7.201 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.194 11.016 7.492 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.471 9.888 6.144 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.851 10.524 7.070 1.00 0.00 H new ATOM 1003 N VAL A 64 10.741 12.405 2.574 1.00 0.00 N ATOM 1004 CA VAL A 64 10.195 13.320 1.586 1.00 0.00 C ATOM 1005 C VAL A 64 8.699 13.464 1.877 1.00 0.00 C ATOM 1006 O VAL A 64 8.102 12.585 2.504 1.00 0.00 O ATOM 1007 CB VAL A 64 10.426 12.808 0.150 1.00 0.00 C ATOM 1008 CG1 VAL A 64 11.822 13.169 -0.362 1.00 0.00 C ATOM 1009 CG2 VAL A 64 10.171 11.308 -0.032 1.00 0.00 C ATOM 0 H VAL A 64 10.261 11.505 2.567 1.00 0.00 H new ATOM 0 HA VAL A 64 10.697 14.285 1.654 1.00 0.00 H new ATOM 0 HB VAL A 64 9.677 13.324 -0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.946 12.791 -1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.941 14.252 -0.361 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.575 12.721 0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.356 11.031 -1.070 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.839 10.744 0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.136 11.081 0.225 1.00 0.00 H new ATOM 1019 N LYS A 65 8.093 14.553 1.404 1.00 0.00 N ATOM 1020 CA LYS A 65 6.687 14.883 1.608 1.00 0.00 C ATOM 1021 C LYS A 65 6.078 14.960 0.213 1.00 0.00 C ATOM 1022 O LYS A 65 6.352 15.924 -0.495 1.00 0.00 O ATOM 1023 CB LYS A 65 6.625 16.222 2.369 1.00 0.00 C ATOM 1024 CG LYS A 65 5.213 16.721 2.717 1.00 0.00 C ATOM 1025 CD LYS A 65 4.699 16.168 4.053 1.00 0.00 C ATOM 1026 CE LYS A 65 3.364 16.847 4.402 1.00 0.00 C ATOM 1027 NZ LYS A 65 2.874 16.488 5.759 1.00 0.00 N ATOM 0 H LYS A 65 8.587 15.252 0.849 1.00 0.00 H new ATOM 0 HA LYS A 65 6.135 14.153 2.200 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.194 16.121 3.293 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.123 16.984 1.770 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.217 17.810 2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.525 16.434 1.922 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.565 15.088 3.986 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.430 16.350 4.841 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.484 17.929 4.338 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.614 16.565 3.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.972 16.973 5.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.732 15.459 5.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.575 16.780 6.470 1.00 0.00 H new ATOM 1041 N VAL A 66 5.355 13.942 -0.245 1.00 0.00 N ATOM 1042 CA VAL A 66 4.800 13.926 -1.595 1.00 0.00 C ATOM 1043 C VAL A 66 3.746 15.035 -1.692 1.00 0.00 C ATOM 1044 O VAL A 66 2.982 15.251 -0.747 1.00 0.00 O ATOM 1045 CB VAL A 66 4.250 12.524 -1.939 1.00 0.00 C ATOM 1046 CG1 VAL A 66 3.706 12.463 -3.376 1.00 0.00 C ATOM 1047 CG2 VAL A 66 5.345 11.450 -1.803 1.00 0.00 C ATOM 0 H VAL A 66 5.138 13.110 0.305 1.00 0.00 H new ATOM 0 HA VAL A 66 5.572 14.127 -2.338 1.00 0.00 H new ATOM 0 HB VAL A 66 3.442 12.331 -1.233 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.328 11.461 -3.580 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.898 13.186 -3.490 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.506 12.699 -4.078 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.930 10.473 -2.051 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.165 11.679 -2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.716 11.437 -0.778 1.00 0.00 H new ATOM 1057 N LEU A 67 3.709 15.733 -2.832 1.00 0.00 N ATOM 1058 CA LEU A 67 2.879 16.920 -3.035 1.00 0.00 C ATOM 1059 C LEU A 67 1.901 16.704 -4.187 1.00 0.00 C ATOM 1060 O LEU A 67 0.766 17.174 -4.115 1.00 0.00 O ATOM 1061 CB LEU A 67 3.767 18.144 -3.329 1.00 0.00 C ATOM 1062 CG LEU A 67 4.800 18.474 -2.237 1.00 0.00 C ATOM 1063 CD1 LEU A 67 5.703 19.613 -2.707 1.00 0.00 C ATOM 1064 CD2 LEU A 67 4.163 18.842 -0.892 1.00 0.00 C ATOM 0 H LEU A 67 4.264 15.483 -3.651 1.00 0.00 H new ATOM 0 HA LEU A 67 2.310 17.099 -2.123 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.294 17.975 -4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.125 19.013 -3.476 1.00 0.00 H new ATOM 0 HG LEU A 67 5.383 17.568 -2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.433 19.843 -1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.223 19.313 -3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.098 20.497 -2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.946 19.063 -0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.527 19.718 -1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.562 18.006 -0.533 1.00 0.00 H new ATOM 1076 N SER A 68 2.311 15.991 -5.239 1.00 0.00 N ATOM 1077 CA SER A 68 1.484 15.574 -6.369 1.00 0.00 C ATOM 1078 C SER A 68 2.247 14.483 -7.123 1.00 0.00 C ATOM 1079 O SER A 68 3.477 14.424 -7.031 1.00 0.00 O ATOM 1080 CB SER A 68 1.234 16.764 -7.314 1.00 0.00 C ATOM 1081 OG SER A 68 0.377 17.725 -6.724 1.00 0.00 O ATOM 0 H SER A 68 3.277 15.674 -5.328 1.00 0.00 H new ATOM 0 HA SER A 68 0.521 15.206 -6.014 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.184 17.232 -7.571 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.794 16.405 -8.244 1.00 0.00 H new ATOM 0 HG SER A 68 0.161 17.452 -5.808 1.00 0.00 H new ATOM 1087 N ALA A 69 1.551 13.648 -7.896 1.00 0.00 N ATOM 1088 CA ALA A 69 2.173 12.710 -8.822 1.00 0.00 C ATOM 1089 C ALA A 69 1.222 12.421 -9.985 1.00 0.00 C ATOM 1090 O ALA A 69 0.003 12.529 -9.831 1.00 0.00 O ATOM 1091 CB ALA A 69 2.555 11.417 -8.089 1.00 0.00 C ATOM 0 H ALA A 69 0.532 13.606 -7.894 1.00 0.00 H new ATOM 0 HA ALA A 69 3.084 13.152 -9.224 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.019 10.724 -8.791 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.258 11.647 -7.288 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.660 10.960 -7.666 1.00 0.00 H new ATOM 1097 N SER A 70 1.791 12.041 -11.130 1.00 0.00 N ATOM 1098 CA SER A 70 1.082 11.777 -12.383 1.00 0.00 C ATOM 1099 C SER A 70 1.806 10.674 -13.161 1.00 0.00 C ATOM 1100 O SER A 70 2.988 10.420 -12.917 1.00 0.00 O ATOM 1101 CB SER A 70 1.043 13.055 -13.240 1.00 0.00 C ATOM 1102 OG SER A 70 0.468 14.158 -12.553 1.00 0.00 O ATOM 0 H SER A 70 2.798 11.903 -11.213 1.00 0.00 H new ATOM 0 HA SER A 70 0.064 11.460 -12.155 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.056 13.312 -13.548 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.473 12.861 -14.149 1.00 0.00 H new ATOM 0 HG SER A 70 0.468 14.944 -13.138 1.00 0.00 H new ATOM 1108 N SER A 71 1.128 10.035 -14.117 1.00 0.00 N ATOM 1109 CA SER A 71 1.742 9.087 -15.044 1.00 0.00 C ATOM 1110 C SER A 71 2.925 9.745 -15.772 1.00 0.00 C ATOM 1111 O SER A 71 2.884 10.943 -16.075 1.00 0.00 O ATOM 1112 CB SER A 71 0.682 8.602 -16.042 1.00 0.00 C ATOM 1113 OG SER A 71 -0.492 8.179 -15.360 1.00 0.00 O ATOM 0 H SER A 71 0.128 10.164 -14.269 1.00 0.00 H new ATOM 0 HA SER A 71 2.127 8.229 -14.492 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.436 9.404 -16.738 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.082 7.779 -16.634 1.00 0.00 H new ATOM 0 HG SER A 71 -1.157 7.875 -16.012 1.00 0.00 H new ATOM 1119 N TYR A 72 3.986 8.978 -16.043 1.00 0.00 N ATOM 1120 CA TYR A 72 5.184 9.511 -16.682 1.00 0.00 C ATOM 1121 C TYR A 72 4.882 9.985 -18.107 1.00 0.00 C ATOM 1122 O TYR A 72 4.111 9.358 -18.837 1.00 0.00 O ATOM 1123 CB TYR A 72 6.305 8.459 -16.685 1.00 0.00 C ATOM 1124 CG TYR A 72 7.465 8.803 -17.607 1.00 0.00 C ATOM 1125 CD1 TYR A 72 8.315 9.883 -17.305 1.00 0.00 C ATOM 1126 CD2 TYR A 72 7.642 8.094 -18.812 1.00 0.00 C ATOM 1127 CE1 TYR A 72 9.329 10.262 -18.202 1.00 0.00 C ATOM 1128 CE2 TYR A 72 8.663 8.458 -19.708 1.00 0.00 C ATOM 1129 CZ TYR A 72 9.514 9.546 -19.406 1.00 0.00 C ATOM 1130 OH TYR A 72 10.514 9.908 -20.256 1.00 0.00 O ATOM 0 H TYR A 72 4.035 7.982 -15.827 1.00 0.00 H new ATOM 0 HA TYR A 72 5.521 10.373 -16.106 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.683 8.341 -15.669 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.888 7.497 -16.984 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.188 10.424 -16.379 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.990 7.266 -19.049 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.968 11.102 -17.970 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.797 7.906 -20.627 1.00 0.00 H new ATOM 0 HH TYR A 72 10.509 9.317 -21.037 1.00 0.00 H new ATOM 1140 N SER A 73 5.518 11.085 -18.509 1.00 0.00 N ATOM 1141 CA SER A 73 5.601 11.580 -19.874 1.00 0.00 C ATOM 1142 C SER A 73 6.848 12.475 -19.932 1.00 0.00 C ATOM 1143 O SER A 73 7.077 13.221 -18.977 1.00 0.00 O ATOM 1144 CB SER A 73 4.334 12.373 -20.214 1.00 0.00 C ATOM 1145 OG SER A 73 3.216 11.509 -20.325 1.00 0.00 O ATOM 0 H SER A 73 6.015 11.685 -17.851 1.00 0.00 H new ATOM 0 HA SER A 73 5.678 10.769 -20.599 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.148 13.119 -19.441 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.477 12.913 -21.150 1.00 0.00 H new ATOM 0 HG SER A 73 3.406 10.667 -19.861 1.00 0.00 H new ATOM 1151 N PRO A 74 7.663 12.432 -21.002 1.00 0.00 N ATOM 1152 CA PRO A 74 8.957 13.111 -21.028 1.00 0.00 C ATOM 1153 C PRO A 74 8.821 14.631 -20.916 1.00 0.00 C ATOM 1154 O PRO A 74 9.529 15.268 -20.138 1.00 0.00 O ATOM 1155 CB PRO A 74 9.615 12.710 -22.354 1.00 0.00 C ATOM 1156 CG PRO A 74 8.482 12.149 -23.213 1.00 0.00 C ATOM 1157 CD PRO A 74 7.478 11.620 -22.193 1.00 0.00 C ATOM 0 HA PRO A 74 9.561 12.815 -20.171 1.00 0.00 H new ATOM 0 HB2 PRO A 74 10.085 13.568 -22.835 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.395 11.965 -22.197 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.041 12.919 -23.846 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.835 11.357 -23.874 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.458 11.702 -22.568 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.655 10.566 -21.980 1.00 0.00 H new ATOM 1165 N ASP A 75 7.898 15.214 -21.682 1.00 0.00 N ATOM 1166 CA ASP A 75 7.671 16.656 -21.697 1.00 0.00 C ATOM 1167 C ASP A 75 7.185 17.144 -20.328 1.00 0.00 C ATOM 1168 O ASP A 75 7.687 18.136 -19.805 1.00 0.00 O ATOM 1169 CB ASP A 75 6.664 16.990 -22.803 1.00 0.00 C ATOM 1170 CG ASP A 75 6.345 18.488 -22.868 1.00 0.00 C ATOM 1171 OD1 ASP A 75 7.259 19.305 -23.112 1.00 0.00 O ATOM 1172 OD2 ASP A 75 5.156 18.848 -22.721 1.00 0.00 O ATOM 0 H ASP A 75 7.285 14.695 -22.311 1.00 0.00 H new ATOM 0 HA ASP A 75 8.608 17.173 -21.905 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.062 16.664 -23.764 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.743 16.432 -22.633 1.00 0.00 H new ATOM 1177 N GLU A 76 6.261 16.401 -19.710 1.00 0.00 N ATOM 1178 CA GLU A 76 5.738 16.665 -18.375 1.00 0.00 C ATOM 1179 C GLU A 76 6.822 16.507 -17.296 1.00 0.00 C ATOM 1180 O GLU A 76 6.804 17.225 -16.294 1.00 0.00 O ATOM 1181 CB GLU A 76 4.567 15.698 -18.112 1.00 0.00 C ATOM 1182 CG GLU A 76 3.563 16.217 -17.073 1.00 0.00 C ATOM 1183 CD GLU A 76 2.513 17.156 -17.692 1.00 0.00 C ATOM 1184 OE1 GLU A 76 2.896 18.213 -18.239 1.00 0.00 O ATOM 1185 OE2 GLU A 76 1.301 16.845 -17.626 1.00 0.00 O ATOM 0 H GLU A 76 5.847 15.575 -20.142 1.00 0.00 H new ATOM 0 HA GLU A 76 5.393 17.698 -18.326 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.043 15.511 -19.050 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.966 14.742 -17.774 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.059 15.372 -16.604 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.100 16.745 -16.285 1.00 0.00 H new ATOM 1192 N TRP A 77 7.761 15.574 -17.475 1.00 0.00 N ATOM 1193 CA TRP A 77 8.875 15.357 -16.560 1.00 0.00 C ATOM 1194 C TRP A 77 9.814 16.560 -16.620 1.00 0.00 C ATOM 1195 O TRP A 77 10.094 17.166 -15.583 1.00 0.00 O ATOM 1196 CB TRP A 77 9.577 14.036 -16.925 1.00 0.00 C ATOM 1197 CG TRP A 77 10.897 13.735 -16.282 1.00 0.00 C ATOM 1198 CD1 TRP A 77 11.978 13.270 -16.945 1.00 0.00 C ATOM 1199 CD2 TRP A 77 11.310 13.818 -14.883 1.00 0.00 C ATOM 1200 NE1 TRP A 77 13.038 13.107 -16.078 1.00 0.00 N ATOM 1201 CE2 TRP A 77 12.683 13.439 -14.789 1.00 0.00 C ATOM 1202 CE3 TRP A 77 10.670 14.181 -13.681 1.00 0.00 C ATOM 1203 CZ2 TRP A 77 13.387 13.458 -13.577 1.00 0.00 C ATOM 1204 CZ3 TRP A 77 11.355 14.156 -12.453 1.00 0.00 C ATOM 1205 CH2 TRP A 77 12.715 13.810 -12.397 1.00 0.00 C ATOM 0 H TRP A 77 7.765 14.940 -18.274 1.00 0.00 H new ATOM 0 HA TRP A 77 8.526 15.267 -15.531 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.896 13.220 -16.685 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.722 14.023 -18.005 1.00 0.00 H new ATOM 0 HD1 TRP A 77 12.008 13.056 -18.003 1.00 0.00 H new ATOM 0 HE1 TRP A 77 13.965 12.783 -16.355 1.00 0.00 H new ATOM 0 HE3 TRP A 77 9.634 14.484 -13.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 14.436 13.204 -13.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 10.829 14.406 -11.543 1.00 0.00 H new ATOM 0 HH2 TRP A 77 13.239 13.815 -11.453 1.00 0.00 H new ATOM 1216 N GLU A 78 10.252 16.958 -17.818 1.00 0.00 N ATOM 1217 CA GLU A 78 11.175 18.076 -17.981 1.00 0.00 C ATOM 1218 C GLU A 78 10.539 19.387 -17.514 1.00 0.00 C ATOM 1219 O GLU A 78 11.195 20.195 -16.858 1.00 0.00 O ATOM 1220 CB GLU A 78 11.653 18.178 -19.438 1.00 0.00 C ATOM 1221 CG GLU A 78 12.610 17.035 -19.807 1.00 0.00 C ATOM 1222 CD GLU A 78 13.175 17.205 -21.229 1.00 0.00 C ATOM 1223 OE1 GLU A 78 12.562 16.713 -22.204 1.00 0.00 O ATOM 1224 OE2 GLU A 78 14.255 17.819 -21.388 1.00 0.00 O ATOM 0 H GLU A 78 9.977 16.515 -18.695 1.00 0.00 H new ATOM 0 HA GLU A 78 12.047 17.891 -17.353 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.791 18.160 -20.105 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.154 19.134 -19.590 1.00 0.00 H new ATOM 0 HG2 GLU A 78 13.431 17.001 -19.090 1.00 0.00 H new ATOM 0 HG3 GLU A 78 12.085 16.083 -19.735 1.00 0.00 H new ATOM 1231 N ARG A 79 9.244 19.574 -17.781 1.00 0.00 N ATOM 1232 CA ARG A 79 8.458 20.691 -17.273 1.00 0.00 C ATOM 1233 C ARG A 79 8.559 20.772 -15.755 1.00 0.00 C ATOM 1234 O ARG A 79 8.933 21.817 -15.227 1.00 0.00 O ATOM 1235 CB ARG A 79 7.022 20.485 -17.766 1.00 0.00 C ATOM 1236 CG ARG A 79 5.954 21.396 -17.141 1.00 0.00 C ATOM 1237 CD ARG A 79 4.596 21.114 -17.797 1.00 0.00 C ATOM 1238 NE ARG A 79 4.569 21.611 -19.185 1.00 0.00 N ATOM 1239 CZ ARG A 79 4.562 20.842 -20.281 1.00 0.00 C ATOM 1240 NH1 ARG A 79 4.227 19.560 -20.236 1.00 0.00 N ATOM 1241 NH2 ARG A 79 4.914 21.340 -21.458 1.00 0.00 N ATOM 0 H ARG A 79 8.706 18.938 -18.369 1.00 0.00 H new ATOM 0 HA ARG A 79 8.832 21.647 -17.641 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.006 20.630 -18.846 1.00 0.00 H new ATOM 0 HB3 ARG A 79 6.741 19.449 -17.579 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.895 21.221 -16.067 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.227 22.442 -17.279 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.398 20.042 -17.786 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.803 21.590 -17.220 1.00 0.00 H new ATOM 0 HE ARG A 79 4.554 22.622 -19.321 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.964 19.132 -19.348 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.232 19.001 -21.089 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.194 22.318 -21.535 1.00 0.00 H new ATOM 0 HH22 ARG A 79 4.905 20.745 -22.287 1.00 0.00 H new ATOM 1255 N GLN A 80 8.262 19.683 -15.045 1.00 0.00 N ATOM 1256 CA GLN A 80 8.291 19.695 -13.588 1.00 0.00 C ATOM 1257 C GLN A 80 9.719 19.950 -13.080 1.00 0.00 C ATOM 1258 O GLN A 80 9.896 20.709 -12.126 1.00 0.00 O ATOM 1259 CB GLN A 80 7.667 18.401 -13.038 1.00 0.00 C ATOM 1260 CG GLN A 80 6.148 18.382 -13.272 1.00 0.00 C ATOM 1261 CD GLN A 80 5.508 17.030 -12.975 1.00 0.00 C ATOM 1262 OE1 GLN A 80 5.149 16.720 -11.843 1.00 0.00 O ATOM 1263 NE2 GLN A 80 5.329 16.215 -14.002 1.00 0.00 N ATOM 0 H GLN A 80 8.000 18.787 -15.456 1.00 0.00 H new ATOM 0 HA GLN A 80 7.684 20.519 -13.212 1.00 0.00 H new ATOM 0 HB2 GLN A 80 8.124 17.538 -13.522 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.876 18.317 -11.972 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.682 19.142 -12.646 1.00 0.00 H new ATOM 0 HG3 GLN A 80 5.944 18.653 -14.308 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.636 16.494 -14.934 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.884 15.308 -13.862 1.00 0.00 H new ATOM 1272 N CYS A 81 10.747 19.414 -13.750 1.00 0.00 N ATOM 1273 CA CYS A 81 12.137 19.714 -13.406 1.00 0.00 C ATOM 1274 C CYS A 81 12.441 21.212 -13.547 1.00 0.00 C ATOM 1275 O CYS A 81 13.119 21.783 -12.693 1.00 0.00 O ATOM 1276 CB CYS A 81 13.099 18.908 -14.285 1.00 0.00 C ATOM 1277 SG CYS A 81 12.843 17.129 -14.049 1.00 0.00 S ATOM 0 H CYS A 81 10.639 18.770 -14.534 1.00 0.00 H new ATOM 0 HA CYS A 81 12.281 19.431 -12.363 1.00 0.00 H new ATOM 0 HB2 CYS A 81 12.946 19.167 -15.333 1.00 0.00 H new ATOM 0 HB3 CYS A 81 14.129 19.168 -14.040 1.00 0.00 H new ATOM 0 HG CYS A 81 13.903 16.606 -13.507 1.00 0.00 H new ATOM 1283 N LYS A 82 11.932 21.867 -14.594 1.00 0.00 N ATOM 1284 CA LYS A 82 12.135 23.286 -14.819 1.00 0.00 C ATOM 1285 C LYS A 82 11.388 24.103 -13.778 1.00 0.00 C ATOM 1286 O LYS A 82 11.870 25.164 -13.385 1.00 0.00 O ATOM 1287 CB LYS A 82 11.717 23.663 -16.249 1.00 0.00 C ATOM 1288 CG LYS A 82 12.803 23.300 -17.268 1.00 0.00 C ATOM 1289 CD LYS A 82 12.328 23.584 -18.699 1.00 0.00 C ATOM 1290 CE LYS A 82 13.439 23.228 -19.697 1.00 0.00 C ATOM 1291 NZ LYS A 82 13.043 23.502 -21.102 1.00 0.00 N ATOM 0 H LYS A 82 11.364 21.416 -15.311 1.00 0.00 H new ATOM 0 HA LYS A 82 13.195 23.515 -14.713 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.790 23.149 -16.505 1.00 0.00 H new ATOM 0 HB3 LYS A 82 11.513 24.733 -16.299 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.708 23.872 -17.061 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.062 22.246 -17.169 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.432 23.003 -18.916 1.00 0.00 H new ATOM 0 HD3 LYS A 82 12.059 24.635 -18.801 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.336 23.798 -19.457 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.694 22.173 -19.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.824 23.246 -21.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.202 22.939 -21.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.825 24.513 -21.210 1.00 0.00 H new ATOM 1305 N VAL A 83 10.243 23.627 -13.288 1.00 0.00 N ATOM 1306 CA VAL A 83 9.552 24.293 -12.198 1.00 0.00 C ATOM 1307 C VAL A 83 10.437 24.263 -10.939 1.00 0.00 C ATOM 1308 O VAL A 83 10.658 25.312 -10.335 1.00 0.00 O ATOM 1309 CB VAL A 83 8.137 23.704 -12.009 1.00 0.00 C ATOM 1310 CG1 VAL A 83 7.436 24.227 -10.747 1.00 0.00 C ATOM 1311 CG2 VAL A 83 7.245 24.054 -13.213 1.00 0.00 C ATOM 0 H VAL A 83 9.780 22.785 -13.631 1.00 0.00 H new ATOM 0 HA VAL A 83 9.387 25.345 -12.430 1.00 0.00 H new ATOM 0 HB VAL A 83 8.273 22.627 -11.915 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.446 23.778 -10.668 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.025 23.964 -9.868 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.339 25.311 -10.808 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.251 23.632 -13.064 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.169 25.137 -13.307 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.682 23.641 -14.122 1.00 0.00 H new ATOM 1321 N ALA A 84 11.011 23.106 -10.584 1.00 0.00 N ATOM 1322 CA ALA A 84 11.915 22.977 -9.434 1.00 0.00 C ATOM 1323 C ALA A 84 13.165 23.860 -9.586 1.00 0.00 C ATOM 1324 O ALA A 84 13.595 24.499 -8.626 1.00 0.00 O ATOM 1325 CB ALA A 84 12.312 21.509 -9.264 1.00 0.00 C ATOM 0 H ALA A 84 10.861 22.232 -11.087 1.00 0.00 H new ATOM 0 HA ALA A 84 11.388 23.320 -8.544 1.00 0.00 H new ATOM 0 HB1 ALA A 84 12.983 21.410 -8.411 1.00 0.00 H new ATOM 0 HB2 ALA A 84 11.419 20.908 -9.095 1.00 0.00 H new ATOM 0 HB3 ALA A 84 12.817 21.162 -10.165 1.00 0.00 H new ATOM 1331 N GLY A 85 13.730 23.915 -10.794 1.00 0.00 N ATOM 1332 CA GLY A 85 14.890 24.728 -11.141 1.00 0.00 C ATOM 1333 C GLY A 85 14.579 26.222 -11.278 1.00 0.00 C ATOM 1334 O GLY A 85 15.510 27.015 -11.432 1.00 0.00 O ATOM 0 H GLY A 85 13.377 23.374 -11.583 1.00 0.00 H new ATOM 0 HA2 GLY A 85 15.657 24.594 -10.378 1.00 0.00 H new ATOM 0 HA3 GLY A 85 15.308 24.366 -12.080 1.00 0.00 H new ATOM 1338 N LYS A 86 13.302 26.622 -11.220 1.00 0.00 N ATOM 1339 CA LYS A 86 12.819 27.978 -11.488 1.00 0.00 C ATOM 1340 C LYS A 86 13.296 28.457 -12.862 1.00 0.00 C ATOM 1341 O LYS A 86 13.554 29.643 -13.070 1.00 0.00 O ATOM 1342 CB LYS A 86 13.133 28.943 -10.325 1.00 0.00 C ATOM 1343 CG LYS A 86 12.576 28.450 -8.976 1.00 0.00 C ATOM 1344 CD LYS A 86 12.722 29.489 -7.853 1.00 0.00 C ATOM 1345 CE LYS A 86 11.785 30.691 -8.052 1.00 0.00 C ATOM 1346 NZ LYS A 86 11.885 31.673 -6.943 1.00 0.00 N ATOM 0 H LYS A 86 12.548 25.981 -10.975 1.00 0.00 H new ATOM 0 HA LYS A 86 11.730 27.963 -11.539 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.213 29.068 -10.244 1.00 0.00 H new ATOM 0 HB3 LYS A 86 12.715 29.924 -10.549 1.00 0.00 H new ATOM 0 HG2 LYS A 86 11.523 28.196 -9.095 1.00 0.00 H new ATOM 0 HG3 LYS A 86 13.094 27.535 -8.687 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.508 29.018 -6.894 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.754 29.837 -7.814 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.025 31.184 -8.994 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.757 30.338 -8.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.235 32.465 -7.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 11.630 31.211 -6.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 12.860 32.031 -6.883 1.00 0.00 H new ATOM 1360 N THR A 87 13.401 27.518 -13.799 1.00 0.00 N ATOM 1361 CA THR A 87 13.822 27.727 -15.170 1.00 0.00 C ATOM 1362 C THR A 87 12.626 27.656 -16.135 1.00 0.00 C ATOM 1363 O THR A 87 12.765 28.010 -17.309 1.00 0.00 O ATOM 1364 CB THR A 87 14.940 26.721 -15.512 1.00 0.00 C ATOM 1365 OG1 THR A 87 14.712 25.467 -14.889 1.00 0.00 O ATOM 1366 CG2 THR A 87 16.300 27.237 -15.028 1.00 0.00 C ATOM 0 H THR A 87 13.182 26.541 -13.606 1.00 0.00 H new ATOM 0 HA THR A 87 14.231 28.731 -15.285 1.00 0.00 H new ATOM 0 HB THR A 87 14.938 26.605 -16.596 1.00 0.00 H new ATOM 0 HG1 THR A 87 15.435 24.849 -15.124 1.00 0.00 H new ATOM 0 HG21 THR A 87 17.074 26.512 -15.279 1.00 0.00 H new ATOM 0 HG22 THR A 87 16.522 28.188 -15.513 1.00 0.00 H new ATOM 0 HG23 THR A 87 16.272 27.378 -13.948 1.00 0.00 H new ATOM 1374 N GLN A 88 11.448 27.234 -15.655 1.00 0.00 N ATOM 1375 CA GLN A 88 10.200 27.305 -16.406 1.00 0.00 C ATOM 1376 C GLN A 88 9.875 28.770 -16.707 1.00 0.00 C ATOM 1377 O GLN A 88 9.414 29.041 -17.835 1.00 0.00 O ATOM 1378 CB GLN A 88 9.071 26.590 -15.636 1.00 0.00 C ATOM 1379 CG GLN A 88 7.683 26.657 -16.299 1.00 0.00 C ATOM 1380 CD GLN A 88 7.624 26.020 -17.694 1.00 0.00 C ATOM 1381 OE1 GLN A 88 7.182 24.888 -17.867 1.00 0.00 O ATOM 1382 NE2 GLN A 88 8.064 26.735 -18.716 1.00 0.00 N ATOM 1383 OXT GLN A 88 10.053 29.633 -15.820 1.00 0.00 O ATOM 0 H GLN A 88 11.340 26.831 -14.724 1.00 0.00 H new ATOM 0 HA GLN A 88 10.303 26.786 -17.359 1.00 0.00 H new ATOM 0 HB2 GLN A 88 9.346 25.543 -15.509 1.00 0.00 H new ATOM 0 HB3 GLN A 88 9.001 27.024 -14.639 1.00 0.00 H new ATOM 0 HG2 GLN A 88 6.959 26.160 -15.653 1.00 0.00 H new ATOM 0 HG3 GLN A 88 7.378 27.701 -16.375 1.00 0.00 H new ATOM 0 HE21 GLN A 88 8.429 27.675 -18.561 1.00 0.00 H new ATOM 0 HE22 GLN A 88 8.038 26.347 -19.659 1.00 0.00 H new TER 1392 GLN A 88