USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=22 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 13 GLN : amide:sc= 1.3 K(o=2.6,f=-9.6!) USER MOD Set 1.2: A 87 THR OG1 : rot 83:sc= 1.28 USER MOD Set 2.1: A 9 CYS SG : rot 173:sc= 0 USER MOD Set 2.2: A 81 CYS SG : rot 64:sc= 0.858 USER MOD Set 3.1: A 11 ASN : amide:sc= -1.99! C(o=-1.2!,f=-7.7!) USER MOD Set 3.2: A 17 HIS : no HE2:sc= 0.183 K(o=-1.2,f=-17!) USER MOD Set 3.3: A 36 SER OG : rot -174:sc= 0.637 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0.626 (180deg=0.561) 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 100:sc= -0.306 USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 2.11 K(o=2.1,f=-0.035) USER MOD Single : A 20 MET CE :methyl 176:sc= -0.251 (180deg=-0.305) USER MOD Single : A 22 CYS SG : rot 66:sc= -1.12 USER MOD Single : A 29 LYS NZ :NH3+ 155:sc= 1.15 (180deg=0.721) USER MOD Single : A 30 MET CE :methyl -164:sc= 0 (180deg=-0.638) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 163:sc= 2.32 (180deg=2.15) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 51 ASN : amide:sc= -0.0432 X(o=-0.043,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= -0.0099 USER MOD Single : A 57 ASN : amide:sc= 1.15 K(o=1.2,f=-1.8!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.0355 X(o=-0.035,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 5:sc= 1.15 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0.00757 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0.631 K(o=0.63,f=-0.027) 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 88 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.382 -0.652 -1.339 1.00 0.00 N ATOM 2 CA MET A 1 3.097 -0.232 -2.564 1.00 0.00 C ATOM 3 C MET A 1 4.290 0.630 -2.163 1.00 0.00 C ATOM 4 O MET A 1 4.158 1.570 -1.377 1.00 0.00 O ATOM 5 CB MET A 1 2.189 0.500 -3.573 1.00 0.00 C ATOM 6 CG MET A 1 2.928 0.833 -4.881 1.00 0.00 C ATOM 7 SD MET A 1 3.590 -0.592 -5.788 1.00 0.00 S ATOM 8 CE MET A 1 4.407 0.290 -7.146 1.00 0.00 C ATOM 0 H1 MET A 1 1.673 -1.373 -1.581 1.00 0.00 H new ATOM 0 H2 MET A 1 3.062 -1.049 -0.659 1.00 0.00 H new ATOM 0 H3 MET A 1 1.908 0.171 -0.914 1.00 0.00 H new ATOM 0 HA MET A 1 3.441 -1.128 -3.082 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.321 -0.121 -3.795 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.816 1.420 -3.123 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.245 1.373 -5.536 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.751 1.509 -4.651 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.877 -0.429 -7.816 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.669 0.872 -7.698 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.167 0.958 -6.741 1.00 0.00 H new ATOM 20 N GLU A 2 5.460 0.311 -2.712 1.00 0.00 N ATOM 21 CA GLU A 2 6.717 0.994 -2.463 1.00 0.00 C ATOM 22 C GLU A 2 7.303 1.273 -3.846 1.00 0.00 C ATOM 23 O GLU A 2 7.065 0.503 -4.785 1.00 0.00 O ATOM 24 CB GLU A 2 7.657 0.120 -1.613 1.00 0.00 C ATOM 25 CG GLU A 2 7.049 -0.355 -0.277 1.00 0.00 C ATOM 26 CD GLU A 2 6.151 -1.605 -0.401 1.00 0.00 C ATOM 27 OE1 GLU A 2 6.674 -2.711 -0.664 1.00 0.00 O ATOM 28 OE2 GLU A 2 4.917 -1.503 -0.196 1.00 0.00 O ATOM 0 H GLU A 2 5.557 -0.463 -3.369 1.00 0.00 H new ATOM 0 HA GLU A 2 6.579 1.916 -1.898 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.948 -0.753 -2.197 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.567 0.682 -1.405 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.858 -0.570 0.422 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.464 0.458 0.153 1.00 0.00 H new ATOM 35 N TRP A 3 8.053 2.362 -3.983 1.00 0.00 N ATOM 36 CA TRP A 3 8.479 2.879 -5.270 1.00 0.00 C ATOM 37 C TRP A 3 9.995 2.998 -5.298 1.00 0.00 C ATOM 38 O TRP A 3 10.642 3.055 -4.252 1.00 0.00 O ATOM 39 CB TRP A 3 7.806 4.237 -5.534 1.00 0.00 C ATOM 40 CG TRP A 3 6.307 4.256 -5.442 1.00 0.00 C ATOM 41 CD1 TRP A 3 5.596 4.431 -4.305 1.00 0.00 C ATOM 42 CD2 TRP A 3 5.316 4.088 -6.502 1.00 0.00 C ATOM 43 NE1 TRP A 3 4.245 4.370 -4.582 1.00 0.00 N ATOM 44 CE2 TRP A 3 4.012 4.153 -5.923 1.00 0.00 C ATOM 45 CE3 TRP A 3 5.382 3.888 -7.898 1.00 0.00 C ATOM 46 CZ2 TRP A 3 2.843 4.009 -6.687 1.00 0.00 C ATOM 47 CZ3 TRP A 3 4.218 3.736 -8.674 1.00 0.00 C ATOM 48 CH2 TRP A 3 2.949 3.792 -8.071 1.00 0.00 C ATOM 0 H TRP A 3 8.384 2.914 -3.191 1.00 0.00 H new ATOM 0 HA TRP A 3 8.177 2.193 -6.061 1.00 0.00 H new ATOM 0 HB2 TRP A 3 8.203 4.962 -4.823 1.00 0.00 H new ATOM 0 HB3 TRP A 3 8.094 4.576 -6.529 1.00 0.00 H new ATOM 0 HD1 TRP A 3 6.022 4.594 -3.326 1.00 0.00 H new ATOM 0 HE1 TRP A 3 3.511 4.473 -3.882 1.00 0.00 H new ATOM 0 HE3 TRP A 3 6.347 3.851 -8.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 1.873 4.064 -6.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 4.300 3.575 -9.739 1.00 0.00 H new ATOM 0 HH2 TRP A 3 2.059 3.669 -8.670 1.00 0.00 H new ATOM 59 N LEU A 4 10.549 3.073 -6.502 1.00 0.00 N ATOM 60 CA LEU A 4 11.964 3.228 -6.777 1.00 0.00 C ATOM 61 C LEU A 4 12.139 4.559 -7.486 1.00 0.00 C ATOM 62 O LEU A 4 11.482 4.836 -8.487 1.00 0.00 O ATOM 63 CB LEU A 4 12.431 2.071 -7.666 1.00 0.00 C ATOM 64 CG LEU A 4 13.912 2.100 -8.088 1.00 0.00 C ATOM 65 CD1 LEU A 4 14.855 1.873 -6.904 1.00 0.00 C ATOM 66 CD2 LEU A 4 14.154 1.003 -9.133 1.00 0.00 C ATOM 0 H LEU A 4 9.990 3.024 -7.354 1.00 0.00 H new ATOM 0 HA LEU A 4 12.557 3.212 -5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.242 1.135 -7.140 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.817 2.060 -8.567 1.00 0.00 H new ATOM 0 HG LEU A 4 14.122 3.088 -8.498 1.00 0.00 H new ATOM 0 HD11 LEU A 4 15.888 1.902 -7.251 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.700 2.655 -6.160 1.00 0.00 H new ATOM 0 HD13 LEU A 4 14.650 0.900 -6.457 1.00 0.00 H new ATOM 0 HD21 LEU A 4 15.200 1.016 -9.438 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.913 0.031 -8.703 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.521 1.182 -10.002 1.00 0.00 H new ATOM 78 N VAL A 5 13.031 5.372 -6.953 1.00 0.00 N ATOM 79 CA VAL A 5 13.525 6.590 -7.581 1.00 0.00 C ATOM 80 C VAL A 5 14.507 6.111 -8.632 1.00 0.00 C ATOM 81 O VAL A 5 15.561 5.572 -8.259 1.00 0.00 O ATOM 82 CB VAL A 5 14.234 7.503 -6.560 1.00 0.00 C ATOM 83 CG1 VAL A 5 14.669 8.826 -7.204 1.00 0.00 C ATOM 84 CG2 VAL A 5 13.321 7.796 -5.359 1.00 0.00 C ATOM 0 H VAL A 5 13.448 5.199 -6.038 1.00 0.00 H new ATOM 0 HA VAL A 5 12.713 7.182 -8.004 1.00 0.00 H new ATOM 0 HB VAL A 5 15.121 6.972 -6.214 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.166 9.447 -6.459 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.358 8.622 -8.024 1.00 0.00 H new ATOM 0 HG13 VAL A 5 13.793 9.349 -7.587 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.844 8.442 -4.653 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.415 8.294 -5.704 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.056 6.860 -4.867 1.00 0.00 H new ATOM 94 N LYS A 6 14.147 6.318 -9.908 1.00 0.00 N ATOM 95 CA LYS A 6 14.964 5.997 -11.087 1.00 0.00 C ATOM 96 C LYS A 6 15.606 7.245 -11.704 1.00 0.00 C ATOM 97 O LYS A 6 16.607 7.108 -12.400 1.00 0.00 O ATOM 98 CB LYS A 6 14.109 5.269 -12.139 1.00 0.00 C ATOM 99 CG LYS A 6 14.003 3.754 -11.879 1.00 0.00 C ATOM 100 CD LYS A 6 15.013 2.907 -12.676 1.00 0.00 C ATOM 101 CE LYS A 6 16.478 3.353 -12.520 1.00 0.00 C ATOM 102 NZ LYS A 6 17.417 2.458 -13.244 1.00 0.00 N ATOM 0 H LYS A 6 13.247 6.728 -10.155 1.00 0.00 H new ATOM 0 HA LYS A 6 15.772 5.345 -10.756 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.109 5.702 -12.150 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.539 5.434 -13.127 1.00 0.00 H new ATOM 0 HG2 LYS A 6 14.149 3.568 -10.815 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.994 3.424 -12.125 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.927 1.867 -12.360 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.745 2.942 -13.732 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.588 4.371 -12.894 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.740 3.372 -11.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 18.391 2.796 -13.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.332 1.491 -12.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 17.186 2.459 -14.258 1.00 0.00 H new ATOM 116 N LYS A 7 15.066 8.442 -11.449 1.00 0.00 N ATOM 117 CA LYS A 7 15.630 9.750 -11.804 1.00 0.00 C ATOM 118 C LYS A 7 15.199 10.713 -10.699 1.00 0.00 C ATOM 119 O LYS A 7 14.150 10.495 -10.089 1.00 0.00 O ATOM 120 CB LYS A 7 15.146 10.249 -13.179 1.00 0.00 C ATOM 121 CG LYS A 7 15.806 9.504 -14.350 1.00 0.00 C ATOM 122 CD LYS A 7 15.310 10.010 -15.710 1.00 0.00 C ATOM 123 CE LYS A 7 15.870 9.152 -16.857 1.00 0.00 C ATOM 124 NZ LYS A 7 17.318 9.381 -17.103 1.00 0.00 N ATOM 0 H LYS A 7 14.174 8.529 -10.962 1.00 0.00 H new ATOM 0 HA LYS A 7 16.715 9.680 -11.884 1.00 0.00 H new ATOM 0 HB2 LYS A 7 14.064 10.131 -13.243 1.00 0.00 H new ATOM 0 HB3 LYS A 7 15.356 11.315 -13.268 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.888 9.624 -14.292 1.00 0.00 H new ATOM 0 HG3 LYS A 7 15.599 8.437 -14.263 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.220 9.989 -15.734 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.612 11.048 -15.847 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.709 8.099 -16.627 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.314 9.368 -17.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 17.637 8.776 -17.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 17.474 10.379 -17.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 17.857 9.149 -16.244 1.00 0.00 H new ATOM 138 N SER A 8 15.980 11.757 -10.450 1.00 0.00 N ATOM 139 CA SER A 8 15.783 12.716 -9.370 1.00 0.00 C ATOM 140 C SER A 8 16.398 14.060 -9.785 1.00 0.00 C ATOM 141 O SER A 8 17.317 14.095 -10.613 1.00 0.00 O ATOM 142 CB SER A 8 16.443 12.159 -8.096 1.00 0.00 C ATOM 143 OG SER A 8 17.663 11.486 -8.380 1.00 0.00 O ATOM 0 H SER A 8 16.801 11.967 -11.018 1.00 0.00 H new ATOM 0 HA SER A 8 14.724 12.875 -9.168 1.00 0.00 H new ATOM 0 HB2 SER A 8 16.633 12.975 -7.399 1.00 0.00 H new ATOM 0 HB3 SER A 8 15.756 11.472 -7.602 1.00 0.00 H new ATOM 0 HG SER A 8 18.417 12.080 -8.185 1.00 0.00 H new ATOM 149 N CYS A 9 15.925 15.152 -9.185 1.00 0.00 N ATOM 150 CA CYS A 9 16.424 16.513 -9.372 1.00 0.00 C ATOM 151 C CYS A 9 16.774 17.103 -8.001 1.00 0.00 C ATOM 152 O CYS A 9 16.231 16.660 -6.986 1.00 0.00 O ATOM 153 CB CYS A 9 15.357 17.372 -10.073 1.00 0.00 C ATOM 154 SG CYS A 9 14.919 16.690 -11.700 1.00 0.00 S ATOM 0 H CYS A 9 15.148 15.109 -8.525 1.00 0.00 H new ATOM 0 HA CYS A 9 17.316 16.500 -9.999 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.465 17.428 -9.449 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.728 18.390 -10.192 1.00 0.00 H new ATOM 0 HG CYS A 9 13.916 17.354 -12.193 1.00 0.00 H new ATOM 160 N CYS A 10 17.638 18.123 -7.975 1.00 0.00 N ATOM 161 CA CYS A 10 18.138 18.766 -6.759 1.00 0.00 C ATOM 162 C CYS A 10 17.805 20.264 -6.800 1.00 0.00 C ATOM 163 O CYS A 10 17.714 20.850 -7.882 1.00 0.00 O ATOM 164 CB CYS A 10 19.654 18.550 -6.638 1.00 0.00 C ATOM 165 SG CYS A 10 20.051 16.776 -6.570 1.00 0.00 S ATOM 0 H CYS A 10 18.019 18.535 -8.826 1.00 0.00 H new ATOM 0 HA CYS A 10 17.658 18.323 -5.887 1.00 0.00 H new ATOM 0 HB2 CYS A 10 20.160 19.008 -7.488 1.00 0.00 H new ATOM 0 HB3 CYS A 10 20.026 19.045 -5.741 1.00 0.00 H new ATOM 0 HG CYS A 10 21.338 16.623 -6.470 1.00 0.00 H new ATOM 171 N ASN A 11 17.618 20.883 -5.631 1.00 0.00 N ATOM 172 CA ASN A 11 17.170 22.268 -5.479 1.00 0.00 C ATOM 173 C ASN A 11 17.633 22.843 -4.141 1.00 0.00 C ATOM 174 O ASN A 11 17.938 22.112 -3.197 1.00 0.00 O ATOM 175 CB ASN A 11 15.630 22.350 -5.566 1.00 0.00 C ATOM 176 CG ASN A 11 14.944 22.602 -4.223 1.00 0.00 C ATOM 177 OD1 ASN A 11 14.626 23.740 -3.886 1.00 0.00 O ATOM 178 ND2 ASN A 11 14.782 21.575 -3.403 1.00 0.00 N ATOM 0 H ASN A 11 17.780 20.419 -4.737 1.00 0.00 H new ATOM 0 HA ASN A 11 17.609 22.852 -6.288 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.357 23.148 -6.257 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.250 21.419 -5.988 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.387 21.722 -2.474 1.00 0.00 H new ATOM 0 HD22 ASN A 11 15.052 20.637 -3.700 1.00 0.00 H new ATOM 185 N LYS A 12 17.606 24.172 -4.074 1.00 0.00 N ATOM 186 CA LYS A 12 17.696 24.965 -2.849 1.00 0.00 C ATOM 187 C LYS A 12 16.873 26.257 -2.970 1.00 0.00 C ATOM 188 O LYS A 12 16.865 27.066 -2.043 1.00 0.00 O ATOM 189 CB LYS A 12 19.161 25.181 -2.419 1.00 0.00 C ATOM 190 CG LYS A 12 20.152 25.634 -3.504 1.00 0.00 C ATOM 191 CD LYS A 12 19.755 26.951 -4.182 1.00 0.00 C ATOM 192 CE LYS A 12 20.893 27.565 -5.015 1.00 0.00 C ATOM 193 NZ LYS A 12 21.309 26.720 -6.165 1.00 0.00 N ATOM 0 H LYS A 12 17.517 24.752 -4.909 1.00 0.00 H new ATOM 0 HA LYS A 12 17.244 24.403 -2.032 1.00 0.00 H new ATOM 0 HB2 LYS A 12 19.173 25.922 -1.620 1.00 0.00 H new ATOM 0 HB3 LYS A 12 19.529 24.248 -1.993 1.00 0.00 H new ATOM 0 HG2 LYS A 12 21.140 25.747 -3.058 1.00 0.00 H new ATOM 0 HG3 LYS A 12 20.231 24.854 -4.261 1.00 0.00 H new ATOM 0 HD2 LYS A 12 18.894 26.776 -4.827 1.00 0.00 H new ATOM 0 HD3 LYS A 12 19.443 27.666 -3.420 1.00 0.00 H new ATOM 0 HE2 LYS A 12 20.576 28.539 -5.386 1.00 0.00 H new ATOM 0 HE3 LYS A 12 21.754 27.735 -4.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 22.078 27.192 -6.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 21.641 25.798 -5.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 20.499 26.578 -6.802 1.00 0.00 H new ATOM 207 N GLN A 13 16.200 26.471 -4.108 1.00 0.00 N ATOM 208 CA GLN A 13 15.473 27.689 -4.410 1.00 0.00 C ATOM 209 C GLN A 13 14.128 27.688 -3.683 1.00 0.00 C ATOM 210 O GLN A 13 13.682 28.754 -3.258 1.00 0.00 O ATOM 211 CB GLN A 13 15.237 27.808 -5.928 1.00 0.00 C ATOM 212 CG GLN A 13 16.501 27.846 -6.814 1.00 0.00 C ATOM 213 CD GLN A 13 17.000 26.474 -7.287 1.00 0.00 C ATOM 214 OE1 GLN A 13 17.014 25.497 -6.542 1.00 0.00 O ATOM 215 NE2 GLN A 13 17.434 26.352 -8.529 1.00 0.00 N ATOM 0 H GLN A 13 16.151 25.779 -4.856 1.00 0.00 H new ATOM 0 HA GLN A 13 16.066 28.540 -4.074 1.00 0.00 H new ATOM 0 HB2 GLN A 13 14.621 26.967 -6.246 1.00 0.00 H new ATOM 0 HB3 GLN A 13 14.660 28.714 -6.115 1.00 0.00 H new ATOM 0 HG2 GLN A 13 16.295 28.463 -7.689 1.00 0.00 H new ATOM 0 HG3 GLN A 13 17.301 28.336 -6.259 1.00 0.00 H new ATOM 0 HE21 GLN A 13 17.426 27.158 -9.154 1.00 0.00 H new ATOM 0 HE22 GLN A 13 17.777 25.452 -8.863 1.00 0.00 H new ATOM 224 N ASP A 14 13.476 26.521 -3.543 1.00 0.00 N ATOM 225 CA ASP A 14 12.096 26.473 -3.020 1.00 0.00 C ATOM 226 C ASP A 14 11.783 25.223 -2.192 1.00 0.00 C ATOM 227 O ASP A 14 10.633 24.977 -1.832 1.00 0.00 O ATOM 228 CB ASP A 14 11.091 26.618 -4.176 1.00 0.00 C ATOM 229 CG ASP A 14 9.698 27.071 -3.689 1.00 0.00 C ATOM 230 OD1 ASP A 14 9.609 28.003 -2.856 1.00 0.00 O ATOM 231 OD2 ASP A 14 8.678 26.557 -4.199 1.00 0.00 O ATOM 0 H ASP A 14 13.872 25.611 -3.780 1.00 0.00 H new ATOM 0 HA ASP A 14 12.002 27.313 -2.332 1.00 0.00 H new ATOM 0 HB2 ASP A 14 11.473 27.340 -4.898 1.00 0.00 H new ATOM 0 HB3 ASP A 14 10.999 25.665 -4.696 1.00 0.00 H new ATOM 236 N ASN A 15 12.799 24.405 -1.902 1.00 0.00 N ATOM 237 CA ASN A 15 12.737 23.118 -1.208 1.00 0.00 C ATOM 238 C ASN A 15 11.997 22.029 -2.016 1.00 0.00 C ATOM 239 O ASN A 15 12.033 20.863 -1.626 1.00 0.00 O ATOM 240 CB ASN A 15 12.198 23.286 0.229 1.00 0.00 C ATOM 241 CG ASN A 15 12.828 22.337 1.250 1.00 0.00 C ATOM 242 OD1 ASN A 15 13.232 22.760 2.329 1.00 0.00 O ATOM 243 ND2 ASN A 15 12.933 21.055 0.954 1.00 0.00 N ATOM 0 H ASN A 15 13.755 24.643 -2.166 1.00 0.00 H new ATOM 0 HA ASN A 15 13.759 22.750 -1.121 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.368 24.313 0.551 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.119 23.129 0.221 1.00 0.00 H new ATOM 0 HD21 ASN A 15 13.352 20.410 1.624 1.00 0.00 H new ATOM 0 HD22 ASN A 15 12.595 20.710 0.056 1.00 0.00 H new ATOM 250 N ARG A 16 11.380 22.358 -3.152 1.00 0.00 N ATOM 251 CA ARG A 16 10.704 21.390 -4.017 1.00 0.00 C ATOM 252 C ARG A 16 11.734 20.531 -4.740 1.00 0.00 C ATOM 253 O ARG A 16 12.673 21.053 -5.333 1.00 0.00 O ATOM 254 CB ARG A 16 9.834 22.100 -5.066 1.00 0.00 C ATOM 255 CG ARG A 16 8.685 22.901 -4.449 1.00 0.00 C ATOM 256 CD ARG A 16 7.873 23.587 -5.550 1.00 0.00 C ATOM 257 NE ARG A 16 6.920 24.540 -4.971 1.00 0.00 N ATOM 258 CZ ARG A 16 5.609 24.374 -4.770 1.00 0.00 C ATOM 259 NH1 ARG A 16 4.984 23.252 -5.116 1.00 0.00 N ATOM 260 NH2 ARG A 16 4.920 25.361 -4.206 1.00 0.00 N ATOM 0 H ARG A 16 11.335 23.315 -3.501 1.00 0.00 H new ATOM 0 HA ARG A 16 10.068 20.768 -3.387 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.460 22.769 -5.656 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.425 21.359 -5.752 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.041 22.240 -3.869 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.080 23.647 -3.759 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.544 24.106 -6.235 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.338 22.839 -6.134 1.00 0.00 H new ATOM 0 HE ARG A 16 7.305 25.441 -4.687 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.506 22.489 -5.547 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.982 23.154 -4.950 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.393 26.224 -3.936 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.919 25.256 -4.043 1.00 0.00 H new ATOM 274 N HIS A 17 11.510 19.229 -4.790 1.00 0.00 N ATOM 275 CA HIS A 17 12.267 18.291 -5.601 1.00 0.00 C ATOM 276 C HIS A 17 11.292 17.554 -6.500 1.00 0.00 C ATOM 277 O HIS A 17 10.080 17.589 -6.281 1.00 0.00 O ATOM 278 CB HIS A 17 13.044 17.328 -4.693 1.00 0.00 C ATOM 279 CG HIS A 17 14.230 17.973 -4.037 1.00 0.00 C ATOM 280 ND1 HIS A 17 14.520 18.005 -2.694 1.00 0.00 N ATOM 281 CD2 HIS A 17 15.258 18.586 -4.689 1.00 0.00 C ATOM 282 CE1 HIS A 17 15.713 18.601 -2.541 1.00 0.00 C ATOM 283 NE2 HIS A 17 16.197 18.995 -3.735 1.00 0.00 N ATOM 0 H HIS A 17 10.771 18.781 -4.249 1.00 0.00 H new ATOM 0 HA HIS A 17 12.998 18.811 -6.221 1.00 0.00 H new ATOM 0 HB2 HIS A 17 12.375 16.942 -3.924 1.00 0.00 H new ATOM 0 HB3 HIS A 17 13.380 16.474 -5.281 1.00 0.00 H new ATOM 0 HD1 HIS A 17 13.932 17.640 -1.945 1.00 0.00 H new ATOM 0 HD2 HIS A 17 15.335 18.731 -5.756 1.00 0.00 H new ATOM 0 HE1 HIS A 17 16.214 18.744 -1.595 1.00 0.00 H new ATOM 291 N VAL A 18 11.810 16.870 -7.514 1.00 0.00 N ATOM 292 CA VAL A 18 10.991 16.085 -8.423 1.00 0.00 C ATOM 293 C VAL A 18 11.785 14.837 -8.760 1.00 0.00 C ATOM 294 O VAL A 18 13.009 14.891 -8.907 1.00 0.00 O ATOM 295 CB VAL A 18 10.598 16.867 -9.699 1.00 0.00 C ATOM 296 CG1 VAL A 18 9.224 16.418 -10.220 1.00 0.00 C ATOM 297 CG2 VAL A 18 10.558 18.394 -9.527 1.00 0.00 C ATOM 0 H VAL A 18 12.807 16.846 -7.727 1.00 0.00 H new ATOM 0 HA VAL A 18 10.045 15.832 -7.944 1.00 0.00 H new ATOM 0 HB VAL A 18 11.391 16.634 -10.410 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.972 16.984 -11.117 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.255 15.355 -10.458 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.469 16.597 -9.455 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.274 18.859 -10.471 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.829 18.655 -8.760 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.543 18.752 -9.228 1.00 0.00 H new ATOM 307 N LEU A 19 11.090 13.706 -8.806 1.00 0.00 N ATOM 308 CA LEU A 19 11.691 12.408 -9.055 1.00 0.00 C ATOM 309 C LEU A 19 10.759 11.579 -9.933 1.00 0.00 C ATOM 310 O LEU A 19 9.583 11.913 -10.109 1.00 0.00 O ATOM 311 CB LEU A 19 12.084 11.649 -7.761 1.00 0.00 C ATOM 312 CG LEU A 19 11.752 12.211 -6.358 1.00 0.00 C ATOM 313 CD1 LEU A 19 12.074 11.120 -5.338 1.00 0.00 C ATOM 314 CD2 LEU A 19 12.575 13.456 -5.980 1.00 0.00 C ATOM 0 H LEU A 19 10.080 13.668 -8.669 1.00 0.00 H new ATOM 0 HA LEU A 19 12.631 12.577 -9.579 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.627 10.662 -7.822 1.00 0.00 H new ATOM 0 HB3 LEU A 19 13.164 11.503 -7.796 1.00 0.00 H new ATOM 0 HG LEU A 19 10.702 12.505 -6.365 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.851 11.483 -4.335 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.470 10.237 -5.547 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.131 10.861 -5.404 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.288 13.793 -4.984 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.636 13.207 -5.987 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.385 14.251 -6.701 1.00 0.00 H new ATOM 326 N MET A 20 11.293 10.483 -10.468 1.00 0.00 N ATOM 327 CA MET A 20 10.585 9.574 -11.346 1.00 0.00 C ATOM 328 C MET A 20 10.356 8.325 -10.510 1.00 0.00 C ATOM 329 O MET A 20 11.282 7.535 -10.296 1.00 0.00 O ATOM 330 CB MET A 20 11.403 9.344 -12.621 1.00 0.00 C ATOM 331 CG MET A 20 10.631 8.548 -13.675 1.00 0.00 C ATOM 332 SD MET A 20 11.509 8.352 -15.252 1.00 0.00 S ATOM 333 CE MET A 20 12.875 7.278 -14.743 1.00 0.00 C ATOM 0 H MET A 20 12.258 10.201 -10.293 1.00 0.00 H new ATOM 0 HA MET A 20 9.627 9.952 -11.702 1.00 0.00 H new ATOM 0 HB2 MET A 20 11.696 10.307 -13.040 1.00 0.00 H new ATOM 0 HB3 MET A 20 12.321 8.813 -12.369 1.00 0.00 H new ATOM 0 HG2 MET A 20 10.404 7.560 -13.274 1.00 0.00 H new ATOM 0 HG3 MET A 20 9.678 9.043 -13.862 1.00 0.00 H new ATOM 0 HE1 MET A 20 13.469 7.006 -15.616 1.00 0.00 H new ATOM 0 HE2 MET A 20 13.504 7.805 -14.026 1.00 0.00 H new ATOM 0 HE3 MET A 20 12.475 6.375 -14.281 1.00 0.00 H new ATOM 343 N LEU A 21 9.158 8.239 -9.930 1.00 0.00 N ATOM 344 CA LEU A 21 8.758 7.161 -9.039 1.00 0.00 C ATOM 345 C LEU A 21 8.336 5.995 -9.897 1.00 0.00 C ATOM 346 O LEU A 21 7.517 6.150 -10.796 1.00 0.00 O ATOM 347 CB LEU A 21 7.571 7.573 -8.151 1.00 0.00 C ATOM 348 CG LEU A 21 8.039 8.052 -6.775 1.00 0.00 C ATOM 349 CD1 LEU A 21 8.954 9.280 -6.893 1.00 0.00 C ATOM 350 CD2 LEU A 21 6.822 8.345 -5.892 1.00 0.00 C ATOM 0 H LEU A 21 8.426 8.935 -10.073 1.00 0.00 H new ATOM 0 HA LEU A 21 9.594 6.907 -8.388 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.007 8.367 -8.641 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.894 6.727 -8.032 1.00 0.00 H new ATOM 0 HG LEU A 21 8.627 7.262 -6.309 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.269 9.596 -5.899 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.831 9.024 -7.488 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.412 10.093 -7.377 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.157 8.686 -4.912 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.213 9.120 -6.357 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.229 7.438 -5.777 1.00 0.00 H new ATOM 362 N CYS A 22 8.867 4.824 -9.600 1.00 0.00 N ATOM 363 CA CYS A 22 8.714 3.655 -10.440 1.00 0.00 C ATOM 364 C CYS A 22 8.386 2.450 -9.576 1.00 0.00 C ATOM 365 O CYS A 22 8.547 2.496 -8.359 1.00 0.00 O ATOM 366 CB CYS A 22 10.016 3.427 -11.220 1.00 0.00 C ATOM 367 SG CYS A 22 10.516 4.938 -12.097 1.00 0.00 S ATOM 0 H CYS A 22 9.422 4.658 -8.760 1.00 0.00 H new ATOM 0 HA CYS A 22 7.899 3.804 -11.148 1.00 0.00 H new ATOM 0 HB2 CYS A 22 10.807 3.120 -10.535 1.00 0.00 H new ATOM 0 HB3 CYS A 22 9.880 2.615 -11.934 1.00 0.00 H new ATOM 0 HG CYS A 22 10.824 5.859 -11.233 1.00 0.00 H new ATOM 373 N ASP A 23 7.922 1.374 -10.200 1.00 0.00 N ATOM 374 CA ASP A 23 7.816 0.063 -9.560 1.00 0.00 C ATOM 375 C ASP A 23 9.174 -0.284 -8.928 1.00 0.00 C ATOM 376 O ASP A 23 10.212 0.157 -9.431 1.00 0.00 O ATOM 377 CB ASP A 23 7.400 -0.963 -10.629 1.00 0.00 C ATOM 378 CG ASP A 23 7.968 -2.365 -10.372 1.00 0.00 C ATOM 379 OD1 ASP A 23 7.386 -3.113 -9.554 1.00 0.00 O ATOM 380 OD2 ASP A 23 8.997 -2.696 -11.000 1.00 0.00 O ATOM 0 H ASP A 23 7.606 1.384 -11.170 1.00 0.00 H new ATOM 0 HA ASP A 23 7.065 0.059 -8.770 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.312 -1.020 -10.666 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.734 -0.616 -11.607 1.00 0.00 H new ATOM 385 N ALA A 24 9.183 -1.062 -7.841 1.00 0.00 N ATOM 386 CA ALA A 24 10.389 -1.574 -7.192 1.00 0.00 C ATOM 387 C ALA A 24 11.117 -2.577 -8.111 1.00 0.00 C ATOM 388 O ALA A 24 11.070 -3.791 -7.894 1.00 0.00 O ATOM 389 CB ALA A 24 10.024 -2.165 -5.823 1.00 0.00 C ATOM 0 H ALA A 24 8.325 -1.360 -7.377 1.00 0.00 H new ATOM 0 HA ALA A 24 11.092 -0.759 -7.016 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.924 -2.546 -5.340 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.578 -1.390 -5.199 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.311 -2.979 -5.956 1.00 0.00 H new ATOM 395 N GLY A 25 11.750 -2.062 -9.167 1.00 0.00 N ATOM 396 CA GLY A 25 12.309 -2.827 -10.276 1.00 0.00 C ATOM 397 C GLY A 25 12.310 -2.043 -11.594 1.00 0.00 C ATOM 398 O GLY A 25 13.028 -2.405 -12.527 1.00 0.00 O ATOM 0 H GLY A 25 11.891 -1.058 -9.274 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.330 -3.120 -10.032 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.736 -3.745 -10.404 1.00 0.00 H new ATOM 402 N GLY A 26 11.535 -0.958 -11.668 1.00 0.00 N ATOM 403 CA GLY A 26 11.473 -0.035 -12.794 1.00 0.00 C ATOM 404 C GLY A 26 10.427 -0.402 -13.850 1.00 0.00 C ATOM 405 O GLY A 26 10.385 0.265 -14.885 1.00 0.00 O ATOM 0 H GLY A 26 10.908 -0.691 -10.909 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.258 0.965 -12.418 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.453 0.007 -13.269 1.00 0.00 H new ATOM 409 N ALA A 27 9.597 -1.434 -13.639 1.00 0.00 N ATOM 410 CA ALA A 27 8.723 -1.979 -14.684 1.00 0.00 C ATOM 411 C ALA A 27 7.569 -1.043 -15.087 1.00 0.00 C ATOM 412 O ALA A 27 6.979 -1.220 -16.154 1.00 0.00 O ATOM 413 CB ALA A 27 8.155 -3.325 -14.216 1.00 0.00 C ATOM 0 H ALA A 27 9.514 -1.912 -12.742 1.00 0.00 H new ATOM 0 HA ALA A 27 9.341 -2.099 -15.574 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.505 -3.734 -14.989 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.974 -4.019 -14.026 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.582 -3.180 -13.300 1.00 0.00 H new ATOM 419 N ILE A 28 7.235 -0.067 -14.241 1.00 0.00 N ATOM 420 CA ILE A 28 6.164 0.918 -14.405 1.00 0.00 C ATOM 421 C ILE A 28 6.765 2.221 -13.870 1.00 0.00 C ATOM 422 O ILE A 28 7.575 2.158 -12.939 1.00 0.00 O ATOM 423 CB ILE A 28 4.902 0.485 -13.606 1.00 0.00 C ATOM 424 CG1 ILE A 28 4.396 -0.912 -14.047 1.00 0.00 C ATOM 425 CG2 ILE A 28 3.774 1.530 -13.737 1.00 0.00 C ATOM 426 CD1 ILE A 28 3.160 -1.419 -13.294 1.00 0.00 C ATOM 0 H ILE A 28 7.739 0.065 -13.364 1.00 0.00 H new ATOM 0 HA ILE A 28 5.833 1.024 -15.438 1.00 0.00 H new ATOM 0 HB ILE A 28 5.194 0.421 -12.558 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.166 -0.879 -15.112 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.204 -1.632 -13.917 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.905 1.200 -13.168 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.119 2.488 -13.349 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.500 1.640 -14.786 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.882 -2.403 -13.672 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.386 -1.490 -12.230 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.333 -0.725 -13.444 1.00 0.00 H new ATOM 438 N LYS A 29 6.401 3.382 -14.427 1.00 0.00 N ATOM 439 CA LYS A 29 7.019 4.664 -14.078 1.00 0.00 C ATOM 440 C LYS A 29 5.970 5.772 -13.982 1.00 0.00 C ATOM 441 O LYS A 29 4.973 5.766 -14.706 1.00 0.00 O ATOM 442 CB LYS A 29 8.114 5.034 -15.098 1.00 0.00 C ATOM 443 CG LYS A 29 9.229 3.971 -15.200 1.00 0.00 C ATOM 444 CD LYS A 29 10.525 4.555 -15.783 1.00 0.00 C ATOM 445 CE LYS A 29 11.773 3.700 -15.491 1.00 0.00 C ATOM 446 NZ LYS A 29 11.744 2.383 -16.180 1.00 0.00 N ATOM 0 H LYS A 29 5.669 3.458 -15.133 1.00 0.00 H new ATOM 0 HA LYS A 29 7.484 4.559 -13.098 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.658 5.169 -16.079 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.556 5.990 -14.817 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.429 3.559 -14.211 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.888 3.146 -15.826 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.412 4.662 -16.862 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.677 5.555 -15.378 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.663 4.247 -15.801 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.855 3.541 -14.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.716 2.039 -16.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.211 1.701 -15.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.284 2.486 -17.107 1.00 0.00 H new ATOM 460 N MET A 30 6.225 6.741 -13.107 1.00 0.00 N ATOM 461 CA MET A 30 5.410 7.902 -12.777 1.00 0.00 C ATOM 462 C MET A 30 6.353 9.077 -12.484 1.00 0.00 C ATOM 463 O MET A 30 7.569 8.907 -12.394 1.00 0.00 O ATOM 464 CB MET A 30 4.522 7.626 -11.548 1.00 0.00 C ATOM 465 CG MET A 30 3.550 6.454 -11.722 1.00 0.00 C ATOM 466 SD MET A 30 1.978 6.593 -10.817 1.00 0.00 S ATOM 467 CE MET A 30 2.540 7.142 -9.181 1.00 0.00 C ATOM 0 H MET A 30 7.087 6.730 -12.562 1.00 0.00 H new ATOM 0 HA MET A 30 4.752 8.134 -13.615 1.00 0.00 H new ATOM 0 HB2 MET A 30 5.163 7.427 -10.689 1.00 0.00 H new ATOM 0 HB3 MET A 30 3.951 8.525 -11.318 1.00 0.00 H new ATOM 0 HG2 MET A 30 3.329 6.344 -12.784 1.00 0.00 H new ATOM 0 HG3 MET A 30 4.051 5.540 -11.405 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.741 6.997 -8.454 1.00 0.00 H new ATOM 0 HE2 MET A 30 3.412 6.561 -8.882 1.00 0.00 H new ATOM 0 HE3 MET A 30 2.805 8.198 -9.223 1.00 0.00 H new ATOM 477 N ILE A 31 5.793 10.268 -12.307 1.00 0.00 N ATOM 478 CA ILE A 31 6.484 11.499 -11.946 1.00 0.00 C ATOM 479 C ILE A 31 5.902 11.900 -10.591 1.00 0.00 C ATOM 480 O ILE A 31 4.686 11.792 -10.408 1.00 0.00 O ATOM 481 CB ILE A 31 6.223 12.572 -13.018 1.00 0.00 C ATOM 482 CG1 ILE A 31 6.830 12.149 -14.374 1.00 0.00 C ATOM 483 CG2 ILE A 31 6.787 13.945 -12.609 1.00 0.00 C ATOM 484 CD1 ILE A 31 6.025 12.759 -15.514 1.00 0.00 C ATOM 0 H ILE A 31 4.789 10.408 -12.418 1.00 0.00 H new ATOM 0 HA ILE A 31 7.566 11.378 -11.885 1.00 0.00 H new ATOM 0 HB ILE A 31 5.141 12.664 -13.116 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.868 12.475 -14.435 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.831 11.062 -14.459 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.580 14.672 -13.395 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.316 14.270 -11.681 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.864 13.867 -12.462 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.458 12.457 -16.468 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.993 12.411 -15.458 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.047 13.846 -15.434 1.00 0.00 H new ATOM 496 N ALA A 32 6.724 12.388 -9.660 1.00 0.00 N ATOM 497 CA ALA A 32 6.240 12.958 -8.412 1.00 0.00 C ATOM 498 C ALA A 32 7.087 14.162 -8.033 1.00 0.00 C ATOM 499 O ALA A 32 8.315 14.111 -8.092 1.00 0.00 O ATOM 500 CB ALA A 32 6.285 11.926 -7.286 1.00 0.00 C ATOM 0 H ALA A 32 7.740 12.397 -9.754 1.00 0.00 H new ATOM 0 HA ALA A 32 5.205 13.268 -8.557 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.918 12.377 -6.364 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.657 11.074 -7.548 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.312 11.589 -7.142 1.00 0.00 H new ATOM 506 N GLU A 33 6.415 15.224 -7.614 1.00 0.00 N ATOM 507 CA GLU A 33 7.013 16.389 -6.995 1.00 0.00 C ATOM 508 C GLU A 33 6.911 16.170 -5.487 1.00 0.00 C ATOM 509 O GLU A 33 5.873 15.729 -4.980 1.00 0.00 O ATOM 510 CB GLU A 33 6.237 17.640 -7.433 1.00 0.00 C ATOM 511 CG GLU A 33 6.953 18.943 -7.056 1.00 0.00 C ATOM 512 CD GLU A 33 6.069 20.174 -7.322 1.00 0.00 C ATOM 513 OE1 GLU A 33 5.619 20.368 -8.474 1.00 0.00 O ATOM 514 OE2 GLU A 33 5.834 20.958 -6.376 1.00 0.00 O ATOM 0 H GLU A 33 5.401 15.297 -7.701 1.00 0.00 H new ATOM 0 HA GLU A 33 8.054 16.530 -7.286 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.089 17.611 -8.512 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.248 17.628 -6.975 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.230 18.915 -6.002 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.878 19.029 -7.627 1.00 0.00 H new ATOM 521 N VAL A 34 7.980 16.477 -4.765 1.00 0.00 N ATOM 522 CA VAL A 34 8.122 16.224 -3.343 1.00 0.00 C ATOM 523 C VAL A 34 8.832 17.423 -2.704 1.00 0.00 C ATOM 524 O VAL A 34 9.246 18.362 -3.384 1.00 0.00 O ATOM 525 CB VAL A 34 8.848 14.876 -3.091 1.00 0.00 C ATOM 526 CG1 VAL A 34 8.178 13.686 -3.801 1.00 0.00 C ATOM 527 CG2 VAL A 34 10.328 14.896 -3.498 1.00 0.00 C ATOM 0 H VAL A 34 8.801 16.926 -5.171 1.00 0.00 H new ATOM 0 HA VAL A 34 7.144 16.121 -2.873 1.00 0.00 H new ATOM 0 HB VAL A 34 8.774 14.744 -2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.734 12.774 -3.585 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.153 13.580 -3.445 1.00 0.00 H new ATOM 0 HG13 VAL A 34 8.172 13.861 -4.877 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.774 13.923 -3.295 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.410 15.118 -4.562 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.852 15.662 -2.926 1.00 0.00 H new ATOM 537 N LYS A 35 8.999 17.384 -1.391 1.00 0.00 N ATOM 538 CA LYS A 35 9.759 18.312 -0.573 1.00 0.00 C ATOM 539 C LYS A 35 10.576 17.411 0.345 1.00 0.00 C ATOM 540 O LYS A 35 10.112 16.313 0.668 1.00 0.00 O ATOM 541 CB LYS A 35 8.770 19.195 0.207 1.00 0.00 C ATOM 542 CG LYS A 35 9.302 20.602 0.499 1.00 0.00 C ATOM 543 CD LYS A 35 8.204 21.424 1.196 1.00 0.00 C ATOM 544 CE LYS A 35 8.627 22.887 1.377 1.00 0.00 C ATOM 545 NZ LYS A 35 7.592 23.691 2.078 1.00 0.00 N ATOM 0 H LYS A 35 8.574 16.647 -0.829 1.00 0.00 H new ATOM 0 HA LYS A 35 10.406 18.986 -1.134 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.843 19.277 -0.361 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.524 18.706 1.150 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.187 20.545 1.132 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.604 21.089 -0.428 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.287 21.379 0.609 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.982 20.985 2.169 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.558 22.926 1.942 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.827 23.328 0.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.923 24.672 2.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.710 23.677 1.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.418 23.287 3.021 1.00 0.00 H new ATOM 559 N SER A 36 11.751 17.843 0.785 1.00 0.00 N ATOM 560 CA SER A 36 12.682 16.943 1.465 1.00 0.00 C ATOM 561 C SER A 36 13.412 17.650 2.601 1.00 0.00 C ATOM 562 O SER A 36 13.635 18.859 2.539 1.00 0.00 O ATOM 563 CB SER A 36 13.698 16.373 0.456 1.00 0.00 C ATOM 564 OG SER A 36 13.166 16.260 -0.860 1.00 0.00 O ATOM 0 H SER A 36 12.083 18.802 0.686 1.00 0.00 H new ATOM 0 HA SER A 36 12.104 16.126 1.896 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.579 17.015 0.433 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.028 15.391 0.795 1.00 0.00 H new ATOM 0 HG SER A 36 13.816 15.808 -1.438 1.00 0.00 H new ATOM 570 N ASP A 37 13.838 16.880 3.604 1.00 0.00 N ATOM 571 CA ASP A 37 14.698 17.355 4.698 1.00 0.00 C ATOM 572 C ASP A 37 16.041 16.601 4.712 1.00 0.00 C ATOM 573 O ASP A 37 16.872 16.793 5.601 1.00 0.00 O ATOM 574 CB ASP A 37 13.941 17.235 6.029 1.00 0.00 C ATOM 575 CG ASP A 37 14.691 17.899 7.200 1.00 0.00 C ATOM 576 OD1 ASP A 37 15.042 19.098 7.104 1.00 0.00 O ATOM 577 OD2 ASP A 37 14.866 17.254 8.259 1.00 0.00 O ATOM 0 H ASP A 37 13.593 15.893 3.683 1.00 0.00 H new ATOM 0 HA ASP A 37 14.941 18.406 4.543 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.958 17.693 5.926 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.779 16.181 6.257 1.00 0.00 H new ATOM 582 N PHE A 38 16.264 15.754 3.701 1.00 0.00 N ATOM 583 CA PHE A 38 17.441 14.917 3.493 1.00 0.00 C ATOM 584 C PHE A 38 17.669 14.826 1.979 1.00 0.00 C ATOM 585 O PHE A 38 16.753 15.107 1.197 1.00 0.00 O ATOM 586 CB PHE A 38 17.203 13.508 4.066 1.00 0.00 C ATOM 587 CG PHE A 38 16.759 13.447 5.517 1.00 0.00 C ATOM 588 CD1 PHE A 38 15.398 13.615 5.843 1.00 0.00 C ATOM 589 CD2 PHE A 38 17.699 13.229 6.543 1.00 0.00 C ATOM 590 CE1 PHE A 38 14.982 13.594 7.185 1.00 0.00 C ATOM 591 CE2 PHE A 38 17.281 13.196 7.885 1.00 0.00 C ATOM 592 CZ PHE A 38 15.925 13.386 8.206 1.00 0.00 C ATOM 0 H PHE A 38 15.577 15.630 2.958 1.00 0.00 H new ATOM 0 HA PHE A 38 18.308 15.345 3.997 1.00 0.00 H new ATOM 0 HB2 PHE A 38 16.450 13.011 3.455 1.00 0.00 H new ATOM 0 HB3 PHE A 38 18.125 12.935 3.964 1.00 0.00 H new ATOM 0 HD1 PHE A 38 14.671 13.761 5.057 1.00 0.00 H new ATOM 0 HD2 PHE A 38 18.741 13.087 6.299 1.00 0.00 H new ATOM 0 HE1 PHE A 38 13.940 13.737 7.431 1.00 0.00 H new ATOM 0 HE2 PHE A 38 18.002 13.025 8.670 1.00 0.00 H new ATOM 0 HZ PHE A 38 15.608 13.372 9.238 1.00 0.00 H new ATOM 602 N ALA A 39 18.871 14.420 1.561 1.00 0.00 N ATOM 603 CA ALA A 39 19.175 14.165 0.158 1.00 0.00 C ATOM 604 C ALA A 39 18.349 12.982 -0.369 1.00 0.00 C ATOM 605 O ALA A 39 18.011 12.067 0.385 1.00 0.00 O ATOM 606 CB ALA A 39 20.674 13.889 -0.005 1.00 0.00 C ATOM 0 H ALA A 39 19.658 14.260 2.189 1.00 0.00 H new ATOM 0 HA ALA A 39 18.911 15.047 -0.425 1.00 0.00 H new ATOM 0 HB1 ALA A 39 20.897 13.699 -1.055 1.00 0.00 H new ATOM 0 HB2 ALA A 39 21.242 14.754 0.336 1.00 0.00 H new ATOM 0 HB3 ALA A 39 20.950 13.017 0.588 1.00 0.00 H new ATOM 612 N VAL A 40 18.090 12.974 -1.679 1.00 0.00 N ATOM 613 CA VAL A 40 17.399 11.910 -2.403 1.00 0.00 C ATOM 614 C VAL A 40 18.118 11.782 -3.748 1.00 0.00 C ATOM 615 O VAL A 40 18.490 12.805 -4.333 1.00 0.00 O ATOM 616 CB VAL A 40 15.908 12.271 -2.618 1.00 0.00 C ATOM 617 CG1 VAL A 40 15.118 11.060 -3.131 1.00 0.00 C ATOM 618 CG2 VAL A 40 15.207 12.796 -1.356 1.00 0.00 C ATOM 0 H VAL A 40 18.369 13.743 -2.288 1.00 0.00 H new ATOM 0 HA VAL A 40 17.420 10.973 -1.846 1.00 0.00 H new ATOM 0 HB VAL A 40 15.918 13.073 -3.356 1.00 0.00 H new ATOM 0 HG11 VAL A 40 14.074 11.340 -3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.537 10.728 -4.081 1.00 0.00 H new ATOM 0 HG13 VAL A 40 15.180 10.250 -2.404 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.167 13.027 -1.587 1.00 0.00 H new ATOM 0 HG22 VAL A 40 15.246 12.036 -0.576 1.00 0.00 H new ATOM 0 HG23 VAL A 40 15.710 13.698 -1.009 1.00 0.00 H new ATOM 628 N LYS A 41 18.327 10.562 -4.249 1.00 0.00 N ATOM 629 CA LYS A 41 18.941 10.329 -5.553 1.00 0.00 C ATOM 630 C LYS A 41 18.434 9.025 -6.165 1.00 0.00 C ATOM 631 O LYS A 41 17.703 8.270 -5.528 1.00 0.00 O ATOM 632 CB LYS A 41 20.485 10.401 -5.460 1.00 0.00 C ATOM 633 CG LYS A 41 21.209 9.132 -4.983 1.00 0.00 C ATOM 634 CD LYS A 41 20.802 8.650 -3.587 1.00 0.00 C ATOM 635 CE LYS A 41 21.457 7.305 -3.244 1.00 0.00 C ATOM 636 NZ LYS A 41 20.691 6.166 -3.806 1.00 0.00 N ATOM 0 H LYS A 41 18.073 9.706 -3.757 1.00 0.00 H new ATOM 0 HA LYS A 41 18.640 11.126 -6.233 1.00 0.00 H new ATOM 0 HB2 LYS A 41 20.873 10.664 -6.444 1.00 0.00 H new ATOM 0 HB3 LYS A 41 20.747 11.216 -4.785 1.00 0.00 H new ATOM 0 HG2 LYS A 41 21.020 8.332 -5.698 1.00 0.00 H new ATOM 0 HG3 LYS A 41 22.283 9.318 -4.989 1.00 0.00 H new ATOM 0 HD2 LYS A 41 21.089 9.395 -2.845 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.718 8.551 -3.537 1.00 0.00 H new ATOM 0 HE2 LYS A 41 22.475 7.286 -3.632 1.00 0.00 H new ATOM 0 HE3 LYS A 41 21.526 7.199 -2.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.289 5.315 -3.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 19.848 5.993 -3.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 20.398 6.391 -4.778 1.00 0.00 H new ATOM 650 N VAL A 42 18.838 8.751 -7.400 1.00 0.00 N ATOM 651 CA VAL A 42 18.537 7.519 -8.118 1.00 0.00 C ATOM 652 C VAL A 42 18.925 6.277 -7.309 1.00 0.00 C ATOM 653 O VAL A 42 19.870 6.282 -6.515 1.00 0.00 O ATOM 654 CB VAL A 42 19.213 7.571 -9.503 1.00 0.00 C ATOM 655 CG1 VAL A 42 18.923 6.313 -10.330 1.00 0.00 C ATOM 656 CG2 VAL A 42 18.686 8.803 -10.250 1.00 0.00 C ATOM 0 H VAL A 42 19.402 9.402 -7.946 1.00 0.00 H new ATOM 0 HA VAL A 42 17.460 7.437 -8.265 1.00 0.00 H new ATOM 0 HB VAL A 42 20.292 7.628 -9.361 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.418 6.392 -11.298 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.297 5.436 -9.801 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.848 6.216 -10.479 1.00 0.00 H new ATOM 0 HG21 VAL A 42 19.152 8.859 -11.234 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.605 8.724 -10.365 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.926 9.702 -9.683 1.00 0.00 H new ATOM 666 N GLY A 43 18.189 5.192 -7.545 1.00 0.00 N ATOM 667 CA GLY A 43 18.330 3.946 -6.827 1.00 0.00 C ATOM 668 C GLY A 43 17.859 4.123 -5.390 1.00 0.00 C ATOM 669 O GLY A 43 18.482 3.547 -4.497 1.00 0.00 O ATOM 0 H GLY A 43 17.463 5.164 -8.261 1.00 0.00 H new ATOM 0 HA2 GLY A 43 17.748 3.166 -7.317 1.00 0.00 H new ATOM 0 HA3 GLY A 43 19.371 3.623 -6.841 1.00 0.00 H new ATOM 673 N ASP A 44 16.820 4.939 -5.149 1.00 0.00 N ATOM 674 CA ASP A 44 16.305 5.092 -3.766 1.00 0.00 C ATOM 675 C ASP A 44 14.951 4.423 -3.657 1.00 0.00 C ATOM 676 O ASP A 44 14.154 4.509 -4.585 1.00 0.00 O ATOM 677 CB ASP A 44 16.147 6.551 -3.287 1.00 0.00 C ATOM 678 CG ASP A 44 17.403 7.187 -2.681 1.00 0.00 C ATOM 679 OD1 ASP A 44 18.354 6.442 -2.348 1.00 0.00 O ATOM 680 OD2 ASP A 44 17.414 8.422 -2.483 1.00 0.00 O ATOM 0 H ASP A 44 16.332 5.486 -5.858 1.00 0.00 H new ATOM 0 HA ASP A 44 17.058 4.628 -3.129 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.825 7.159 -4.132 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.349 6.587 -2.545 1.00 0.00 H new ATOM 685 N LEU A 45 14.654 3.794 -2.519 1.00 0.00 N ATOM 686 CA LEU A 45 13.305 3.324 -2.234 1.00 0.00 C ATOM 687 C LEU A 45 12.500 4.485 -1.648 1.00 0.00 C ATOM 688 O LEU A 45 13.068 5.326 -0.946 1.00 0.00 O ATOM 689 CB LEU A 45 13.378 2.196 -1.190 1.00 0.00 C ATOM 690 CG LEU A 45 12.062 1.413 -0.997 1.00 0.00 C ATOM 691 CD1 LEU A 45 11.822 0.425 -2.144 1.00 0.00 C ATOM 692 CD2 LEU A 45 12.109 0.664 0.338 1.00 0.00 C ATOM 0 H LEU A 45 15.332 3.600 -1.782 1.00 0.00 H new ATOM 0 HA LEU A 45 12.834 2.957 -3.146 1.00 0.00 H new ATOM 0 HB2 LEU A 45 14.161 1.497 -1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 45 13.675 2.624 -0.232 1.00 0.00 H new ATOM 0 HG LEU A 45 11.236 2.125 -0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.887 -0.109 -1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.764 0.969 -3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 45 12.644 -0.289 -2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.181 0.110 0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.949 -0.030 0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.231 1.379 1.152 1.00 0.00 H new ATOM 704 N LEU A 46 11.185 4.483 -1.862 1.00 0.00 N ATOM 705 CA LEU A 46 10.222 5.336 -1.183 1.00 0.00 C ATOM 706 C LEU A 46 9.086 4.428 -0.739 1.00 0.00 C ATOM 707 O LEU A 46 8.476 3.755 -1.570 1.00 0.00 O ATOM 708 CB LEU A 46 9.641 6.426 -2.100 1.00 0.00 C ATOM 709 CG LEU A 46 10.641 7.462 -2.622 1.00 0.00 C ATOM 710 CD1 LEU A 46 9.902 8.458 -3.516 1.00 0.00 C ATOM 711 CD2 LEU A 46 11.330 8.247 -1.510 1.00 0.00 C ATOM 0 H LEU A 46 10.748 3.860 -2.541 1.00 0.00 H new ATOM 0 HA LEU A 46 10.718 5.845 -0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.169 5.941 -2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.855 6.950 -1.557 1.00 0.00 H new ATOM 0 HG LEU A 46 11.409 6.913 -3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.606 9.200 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.450 7.928 -4.354 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.123 8.957 -2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.025 8.964 -1.947 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.582 8.779 -0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.876 7.560 -0.864 1.00 0.00 H new ATOM 723 N SER A 47 8.762 4.463 0.546 1.00 0.00 N ATOM 724 CA SER A 47 7.644 3.715 1.121 1.00 0.00 C ATOM 725 C SER A 47 6.825 4.654 2.011 1.00 0.00 C ATOM 726 O SER A 47 7.419 5.506 2.677 1.00 0.00 O ATOM 727 CB SER A 47 8.151 2.515 1.931 1.00 0.00 C ATOM 728 OG SER A 47 9.118 1.776 1.210 1.00 0.00 O ATOM 0 H SER A 47 9.274 5.019 1.231 1.00 0.00 H new ATOM 0 HA SER A 47 7.016 3.331 0.317 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.583 2.864 2.869 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.313 1.867 2.187 1.00 0.00 H new ATOM 0 HG SER A 47 9.423 1.019 1.753 1.00 0.00 H new ATOM 734 N PRO A 48 5.486 4.547 2.023 1.00 0.00 N ATOM 735 CA PRO A 48 4.637 5.489 2.736 1.00 0.00 C ATOM 736 C PRO A 48 4.819 5.357 4.249 1.00 0.00 C ATOM 737 O PRO A 48 5.080 4.270 4.772 1.00 0.00 O ATOM 738 CB PRO A 48 3.202 5.168 2.303 1.00 0.00 C ATOM 739 CG PRO A 48 3.267 3.701 1.884 1.00 0.00 C ATOM 740 CD PRO A 48 4.680 3.557 1.323 1.00 0.00 C ATOM 0 HA PRO A 48 4.893 6.522 2.499 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.495 5.320 3.118 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.881 5.805 1.479 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.100 3.034 2.729 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.511 3.463 1.136 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.066 2.551 1.488 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.693 3.731 0.247 1.00 0.00 H new ATOM 748 N LEU A 49 4.612 6.473 4.949 1.00 0.00 N ATOM 749 CA LEU A 49 4.638 6.573 6.409 1.00 0.00 C ATOM 750 C LEU A 49 3.302 7.137 6.895 1.00 0.00 C ATOM 751 O LEU A 49 2.768 6.681 7.906 1.00 0.00 O ATOM 752 CB LEU A 49 5.797 7.480 6.861 1.00 0.00 C ATOM 753 CG LEU A 49 7.200 6.992 6.455 1.00 0.00 C ATOM 754 CD1 LEU A 49 8.238 8.046 6.852 1.00 0.00 C ATOM 755 CD2 LEU A 49 7.557 5.648 7.099 1.00 0.00 C ATOM 0 H LEU A 49 4.414 7.366 4.498 1.00 0.00 H new ATOM 0 HA LEU A 49 4.792 5.583 6.839 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.641 8.477 6.448 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.762 7.576 7.946 1.00 0.00 H new ATOM 0 HG LEU A 49 7.200 6.845 5.375 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.232 7.703 6.566 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.017 8.984 6.343 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.204 8.202 7.930 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.555 5.346 6.782 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.535 5.747 8.184 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.835 4.893 6.789 1.00 0.00 H new ATOM 767 N GLN A 50 2.751 8.094 6.146 1.00 0.00 N ATOM 768 CA GLN A 50 1.391 8.611 6.260 1.00 0.00 C ATOM 769 C GLN A 50 1.011 9.154 4.871 1.00 0.00 C ATOM 770 O GLN A 50 1.688 8.832 3.891 1.00 0.00 O ATOM 771 CB GLN A 50 1.249 9.612 7.430 1.00 0.00 C ATOM 772 CG GLN A 50 2.286 10.745 7.474 1.00 0.00 C ATOM 773 CD GLN A 50 2.016 11.757 8.594 1.00 0.00 C ATOM 774 OE1 GLN A 50 1.554 11.419 9.681 1.00 0.00 O ATOM 775 NE2 GLN A 50 2.301 13.029 8.362 1.00 0.00 N ATOM 0 H GLN A 50 3.275 8.554 5.401 1.00 0.00 H new ATOM 0 HA GLN A 50 0.677 7.833 6.530 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.255 10.057 7.383 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.306 9.057 8.366 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.279 10.317 7.610 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.291 11.264 6.515 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.685 13.309 7.459 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.137 13.729 9.086 1.00 0.00 H new ATOM 784 N ASN A 51 -0.063 9.948 4.761 1.00 0.00 N ATOM 785 CA ASN A 51 -0.658 10.342 3.478 1.00 0.00 C ATOM 786 C ASN A 51 0.350 10.893 2.464 1.00 0.00 C ATOM 787 O ASN A 51 0.289 10.522 1.291 1.00 0.00 O ATOM 788 CB ASN A 51 -1.779 11.369 3.702 1.00 0.00 C ATOM 789 CG ASN A 51 -2.371 11.827 2.369 1.00 0.00 C ATOM 790 OD1 ASN A 51 -3.228 11.158 1.798 1.00 0.00 O ATOM 791 ND2 ASN A 51 -1.928 12.957 1.839 1.00 0.00 N ATOM 0 H ASN A 51 -0.548 10.338 5.569 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.061 9.426 3.046 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.562 10.930 4.321 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.387 12.229 4.245 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.299 13.281 0.946 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.216 13.503 2.324 1.00 0.00 H new ATOM 798 N ALA A 52 1.266 11.764 2.906 1.00 0.00 N ATOM 799 CA ALA A 52 2.240 12.419 2.065 1.00 0.00 C ATOM 800 C ALA A 52 3.675 12.145 2.515 1.00 0.00 C ATOM 801 O ALA A 52 4.565 12.284 1.682 1.00 0.00 O ATOM 802 CB ALA A 52 1.956 13.926 2.028 1.00 0.00 C ATOM 0 H ALA A 52 1.341 12.031 3.888 1.00 0.00 H new ATOM 0 HA ALA A 52 2.147 12.007 1.060 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.692 14.419 1.393 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.957 14.098 1.627 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.017 14.333 3.037 1.00 0.00 H new ATOM 808 N LEU A 53 3.951 11.778 3.775 1.00 0.00 N ATOM 809 CA LEU A 53 5.318 11.423 4.153 1.00 0.00 C ATOM 810 C LEU A 53 5.639 10.044 3.604 1.00 0.00 C ATOM 811 O LEU A 53 4.874 9.100 3.816 1.00 0.00 O ATOM 812 CB LEU A 53 5.588 11.410 5.666 1.00 0.00 C ATOM 813 CG LEU A 53 5.739 12.789 6.338 1.00 0.00 C ATOM 814 CD1 LEU A 53 5.978 12.590 7.838 1.00 0.00 C ATOM 815 CD2 LEU A 53 6.906 13.609 5.769 1.00 0.00 C ATOM 0 H LEU A 53 3.265 11.721 4.527 1.00 0.00 H new ATOM 0 HA LEU A 53 5.952 12.203 3.731 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.773 10.877 6.156 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.498 10.838 5.848 1.00 0.00 H new ATOM 0 HG LEU A 53 4.819 13.341 6.144 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.086 13.561 8.321 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.131 12.060 8.274 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.887 12.007 7.987 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.960 14.569 6.282 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.839 13.065 5.917 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.748 13.776 4.703 1.00 0.00 H new ATOM 827 N TYR A 54 6.810 9.923 2.992 1.00 0.00 N ATOM 828 CA TYR A 54 7.407 8.663 2.587 1.00 0.00 C ATOM 829 C TYR A 54 8.832 8.664 3.139 1.00 0.00 C ATOM 830 O TYR A 54 9.457 9.724 3.264 1.00 0.00 O ATOM 831 CB TYR A 54 7.396 8.497 1.052 1.00 0.00 C ATOM 832 CG TYR A 54 6.065 8.115 0.411 1.00 0.00 C ATOM 833 CD1 TYR A 54 4.958 8.983 0.482 1.00 0.00 C ATOM 834 CD2 TYR A 54 5.942 6.905 -0.302 1.00 0.00 C ATOM 835 CE1 TYR A 54 3.729 8.630 -0.099 1.00 0.00 C ATOM 836 CE2 TYR A 54 4.718 6.545 -0.897 1.00 0.00 C ATOM 837 CZ TYR A 54 3.601 7.406 -0.790 1.00 0.00 C ATOM 838 OH TYR A 54 2.403 7.074 -1.350 1.00 0.00 O ATOM 0 H TYR A 54 7.388 10.730 2.757 1.00 0.00 H new ATOM 0 HA TYR A 54 6.838 7.820 2.979 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.731 9.434 0.607 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.131 7.737 0.787 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.055 9.931 0.989 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.795 6.248 -0.393 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.882 9.295 -0.017 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.632 5.612 -1.435 1.00 0.00 H new ATOM 0 HH TYR A 54 2.478 6.202 -1.790 1.00 0.00 H new ATOM 848 N CYS A 55 9.340 7.485 3.495 1.00 0.00 N ATOM 849 CA CYS A 55 10.749 7.308 3.822 1.00 0.00 C ATOM 850 C CYS A 55 11.608 7.534 2.573 1.00 0.00 C ATOM 851 O CYS A 55 11.080 7.528 1.460 1.00 0.00 O ATOM 852 CB CYS A 55 10.990 5.907 4.402 1.00 0.00 C ATOM 853 SG CYS A 55 10.740 4.596 3.175 1.00 0.00 S ATOM 0 H CYS A 55 8.787 6.631 3.564 1.00 0.00 H new ATOM 0 HA CYS A 55 11.033 8.042 4.576 1.00 0.00 H new ATOM 0 HB2 CYS A 55 12.007 5.848 4.790 1.00 0.00 H new ATOM 0 HB3 CYS A 55 10.317 5.745 5.244 1.00 0.00 H new ATOM 0 HG CYS A 55 10.960 3.439 3.725 1.00 0.00 H new ATOM 859 N ILE A 56 12.926 7.639 2.741 1.00 0.00 N ATOM 860 CA ILE A 56 13.896 7.658 1.655 1.00 0.00 C ATOM 861 C ILE A 56 14.825 6.464 1.845 1.00 0.00 C ATOM 862 O ILE A 56 15.110 6.046 2.971 1.00 0.00 O ATOM 863 CB ILE A 56 14.720 8.972 1.653 1.00 0.00 C ATOM 864 CG1 ILE A 56 13.846 10.246 1.633 1.00 0.00 C ATOM 865 CG2 ILE A 56 15.698 9.022 0.454 1.00 0.00 C ATOM 866 CD1 ILE A 56 14.618 11.439 2.208 1.00 0.00 C ATOM 0 H ILE A 56 13.356 7.715 3.663 1.00 0.00 H new ATOM 0 HA ILE A 56 13.374 7.602 0.700 1.00 0.00 H new ATOM 0 HB ILE A 56 15.275 8.961 2.591 1.00 0.00 H new ATOM 0 HG12 ILE A 56 13.536 10.465 0.611 1.00 0.00 H new ATOM 0 HG13 ILE A 56 12.938 10.080 2.213 1.00 0.00 H new ATOM 0 HG21 ILE A 56 16.260 9.955 0.482 1.00 0.00 H new ATOM 0 HG22 ILE A 56 16.388 8.181 0.512 1.00 0.00 H new ATOM 0 HG23 ILE A 56 15.135 8.965 -0.478 1.00 0.00 H new ATOM 0 HD11 ILE A 56 13.986 12.327 2.185 1.00 0.00 H new ATOM 0 HD12 ILE A 56 14.905 11.224 3.237 1.00 0.00 H new ATOM 0 HD13 ILE A 56 15.513 11.615 1.611 1.00 0.00 H new ATOM 878 N ASN A 57 15.352 5.979 0.721 1.00 0.00 N ATOM 879 CA ASN A 57 16.444 5.028 0.567 1.00 0.00 C ATOM 880 C ASN A 57 16.082 3.614 0.983 1.00 0.00 C ATOM 881 O ASN A 57 16.174 2.714 0.151 1.00 0.00 O ATOM 882 CB ASN A 57 17.704 5.499 1.316 1.00 0.00 C ATOM 883 CG ASN A 57 18.900 4.661 0.887 1.00 0.00 C ATOM 884 OD1 ASN A 57 19.412 3.837 1.635 1.00 0.00 O ATOM 885 ND2 ASN A 57 19.348 4.846 -0.339 1.00 0.00 N ATOM 0 H ASN A 57 14.989 6.271 -0.186 1.00 0.00 H new ATOM 0 HA ASN A 57 16.654 4.994 -0.502 1.00 0.00 H new ATOM 0 HB2 ASN A 57 17.891 6.552 1.106 1.00 0.00 H new ATOM 0 HB3 ASN A 57 17.553 5.411 2.392 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.136 4.297 -0.682 1.00 0.00 H new ATOM 0 HD22 ASN A 57 18.906 5.538 -0.944 1.00 0.00 H new ATOM 892 N ARG A 58 15.681 3.442 2.244 1.00 0.00 N ATOM 893 CA ARG A 58 15.407 2.178 2.915 1.00 0.00 C ATOM 894 C ARG A 58 14.848 2.378 4.330 1.00 0.00 C ATOM 895 O ARG A 58 14.447 1.385 4.935 1.00 0.00 O ATOM 896 CB ARG A 58 16.707 1.341 3.013 1.00 0.00 C ATOM 897 CG ARG A 58 17.770 1.992 3.924 1.00 0.00 C ATOM 898 CD ARG A 58 19.120 1.267 3.908 1.00 0.00 C ATOM 899 NE ARG A 58 19.045 -0.083 4.498 1.00 0.00 N ATOM 900 CZ ARG A 58 19.055 -0.391 5.805 1.00 0.00 C ATOM 901 NH1 ARG A 58 19.096 0.546 6.746 1.00 0.00 N ATOM 902 NH2 ARG A 58 19.019 -1.664 6.182 1.00 0.00 N ATOM 0 H ARG A 58 15.530 4.239 2.862 1.00 0.00 H new ATOM 0 HA ARG A 58 14.655 1.659 2.320 1.00 0.00 H new ATOM 0 HB2 ARG A 58 16.467 0.348 3.394 1.00 0.00 H new ATOM 0 HB3 ARG A 58 17.124 1.207 2.015 1.00 0.00 H new ATOM 0 HG2 ARG A 58 17.919 3.026 3.613 1.00 0.00 H new ATOM 0 HG3 ARG A 58 17.393 2.018 4.946 1.00 0.00 H new ATOM 0 HD2 ARG A 58 19.476 1.191 2.880 1.00 0.00 H new ATOM 0 HD3 ARG A 58 19.853 1.859 4.456 1.00 0.00 H new ATOM 0 HE ARG A 58 18.979 -0.864 3.845 1.00 0.00 H new ATOM 0 HH11 ARG A 58 19.121 1.531 6.484 1.00 0.00 H new ATOM 0 HH12 ARG A 58 19.103 0.280 7.731 1.00 0.00 H new ATOM 0 HH21 ARG A 58 18.984 -2.403 5.480 1.00 0.00 H new ATOM 0 HH22 ARG A 58 19.026 -1.903 7.174 1.00 0.00 H new ATOM 916 N GLU A 59 14.854 3.596 4.897 1.00 0.00 N ATOM 917 CA GLU A 59 14.598 3.778 6.326 1.00 0.00 C ATOM 918 C GLU A 59 13.852 5.076 6.633 1.00 0.00 C ATOM 919 O GLU A 59 14.109 6.137 6.067 1.00 0.00 O ATOM 920 CB GLU A 59 15.915 3.670 7.117 1.00 0.00 C ATOM 921 CG GLU A 59 17.041 4.626 6.681 1.00 0.00 C ATOM 922 CD GLU A 59 18.393 4.211 7.289 1.00 0.00 C ATOM 923 OE1 GLU A 59 19.007 3.249 6.778 1.00 0.00 O ATOM 924 OE2 GLU A 59 18.863 4.842 8.263 1.00 0.00 O ATOM 0 H GLU A 59 15.033 4.461 4.387 1.00 0.00 H new ATOM 0 HA GLU A 59 13.934 2.976 6.647 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.700 3.850 8.170 1.00 0.00 H new ATOM 0 HB3 GLU A 59 16.282 2.647 7.037 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.115 4.632 5.594 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.798 5.643 6.990 1.00 0.00 H new ATOM 931 N LYS A 60 12.907 4.960 7.567 1.00 0.00 N ATOM 932 CA LYS A 60 11.909 5.976 7.905 1.00 0.00 C ATOM 933 C LYS A 60 12.469 7.201 8.617 1.00 0.00 C ATOM 934 O LYS A 60 11.752 8.186 8.767 1.00 0.00 O ATOM 935 CB LYS A 60 10.761 5.338 8.711 1.00 0.00 C ATOM 936 CG LYS A 60 11.163 4.845 10.111 1.00 0.00 C ATOM 937 CD LYS A 60 9.958 4.218 10.827 1.00 0.00 C ATOM 938 CE LYS A 60 10.363 3.748 12.232 1.00 0.00 C ATOM 939 NZ LYS A 60 9.231 3.130 12.966 1.00 0.00 N ATOM 0 H LYS A 60 12.812 4.117 8.134 1.00 0.00 H new ATOM 0 HA LYS A 60 11.529 6.356 6.957 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.957 6.067 8.813 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.360 4.497 8.145 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.966 4.112 10.028 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.550 5.677 10.699 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.149 4.945 10.898 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.580 3.375 10.248 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.177 3.028 12.151 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.743 4.596 12.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.552 2.828 13.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.463 3.824 13.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.884 2.304 12.438 1.00 0.00 H new ATOM 953 N LEU A 61 13.723 7.158 9.069 1.00 0.00 N ATOM 954 CA LEU A 61 14.366 8.293 9.707 1.00 0.00 C ATOM 955 C LEU A 61 14.666 9.400 8.702 1.00 0.00 C ATOM 956 O LEU A 61 14.871 10.543 9.105 1.00 0.00 O ATOM 957 CB LEU A 61 15.671 7.854 10.396 1.00 0.00 C ATOM 958 CG LEU A 61 15.537 6.680 11.383 1.00 0.00 C ATOM 959 CD1 LEU A 61 16.864 6.469 12.114 1.00 0.00 C ATOM 960 CD2 LEU A 61 14.403 6.889 12.390 1.00 0.00 C ATOM 0 H LEU A 61 14.317 6.332 9.000 1.00 0.00 H new ATOM 0 HA LEU A 61 13.675 8.684 10.454 1.00 0.00 H new ATOM 0 HB2 LEU A 61 16.393 7.579 9.627 1.00 0.00 H new ATOM 0 HB3 LEU A 61 16.085 8.709 10.930 1.00 0.00 H new ATOM 0 HG LEU A 61 15.287 5.790 10.805 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.767 5.638 12.812 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.647 6.245 11.389 1.00 0.00 H new ATOM 0 HD13 LEU A 61 17.125 7.374 12.662 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.351 6.033 13.063 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.592 7.794 12.968 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.457 6.989 11.857 1.00 0.00 H new ATOM 972 N HIS A 62 14.699 9.068 7.412 1.00 0.00 N ATOM 973 CA HIS A 62 14.980 9.987 6.324 1.00 0.00 C ATOM 974 C HIS A 62 13.669 10.115 5.559 1.00 0.00 C ATOM 975 O HIS A 62 13.127 9.091 5.142 1.00 0.00 O ATOM 976 CB HIS A 62 16.100 9.403 5.446 1.00 0.00 C ATOM 977 CG HIS A 62 17.406 9.111 6.153 1.00 0.00 C ATOM 978 ND1 HIS A 62 18.399 8.275 5.688 1.00 0.00 N ATOM 979 CD2 HIS A 62 17.832 9.596 7.363 1.00 0.00 C ATOM 980 CE1 HIS A 62 19.391 8.257 6.595 1.00 0.00 C ATOM 981 NE2 HIS A 62 19.093 9.052 7.639 1.00 0.00 N ATOM 0 H HIS A 62 14.524 8.116 7.091 1.00 0.00 H new ATOM 0 HA HIS A 62 15.323 10.964 6.664 1.00 0.00 H new ATOM 0 HB2 HIS A 62 15.738 8.479 4.995 1.00 0.00 H new ATOM 0 HB3 HIS A 62 16.297 10.099 4.631 1.00 0.00 H new ATOM 0 HD2 HIS A 62 17.288 10.281 7.996 1.00 0.00 H new ATOM 0 HE1 HIS A 62 20.301 7.684 6.499 1.00 0.00 H new ATOM 0 HE2 HIS A 62 19.668 9.224 8.464 1.00 0.00 H new ATOM 989 N THR A 63 13.134 11.325 5.383 1.00 0.00 N ATOM 990 CA THR A 63 11.781 11.505 4.883 1.00 0.00 C ATOM 991 C THR A 63 11.675 12.577 3.795 1.00 0.00 C ATOM 992 O THR A 63 12.437 13.550 3.752 1.00 0.00 O ATOM 993 CB THR A 63 10.879 11.841 6.087 1.00 0.00 C ATOM 994 OG1 THR A 63 11.420 12.926 6.822 1.00 0.00 O ATOM 995 CG2 THR A 63 10.773 10.652 7.044 1.00 0.00 C ATOM 0 H THR A 63 13.626 12.196 5.583 1.00 0.00 H new ATOM 0 HA THR A 63 11.460 10.582 4.401 1.00 0.00 H new ATOM 0 HB THR A 63 9.896 12.093 5.689 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.836 13.129 7.582 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.131 10.917 7.884 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.347 9.798 6.517 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.765 10.393 7.413 1.00 0.00 H new ATOM 1003 N VAL A 64 10.674 12.396 2.939 1.00 0.00 N ATOM 1004 CA VAL A 64 10.188 13.348 1.954 1.00 0.00 C ATOM 1005 C VAL A 64 8.695 13.530 2.211 1.00 0.00 C ATOM 1006 O VAL A 64 8.059 12.636 2.775 1.00 0.00 O ATOM 1007 CB VAL A 64 10.396 12.833 0.512 1.00 0.00 C ATOM 1008 CG1 VAL A 64 11.774 13.195 -0.024 1.00 0.00 C ATOM 1009 CG2 VAL A 64 10.152 11.329 0.331 1.00 0.00 C ATOM 0 H VAL A 64 10.148 11.522 2.916 1.00 0.00 H new ATOM 0 HA VAL A 64 10.737 14.285 2.048 1.00 0.00 H new ATOM 0 HB VAL A 64 9.629 13.346 -0.069 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.881 12.815 -1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.890 14.279 -0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.540 12.751 0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.321 11.056 -0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.837 10.770 0.968 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.125 11.091 0.607 1.00 0.00 H new ATOM 1019 N LYS A 65 8.124 14.640 1.740 1.00 0.00 N ATOM 1020 CA LYS A 65 6.685 14.874 1.736 1.00 0.00 C ATOM 1021 C LYS A 65 6.252 15.026 0.284 1.00 0.00 C ATOM 1022 O LYS A 65 6.866 15.790 -0.459 1.00 0.00 O ATOM 1023 CB LYS A 65 6.358 16.115 2.579 1.00 0.00 C ATOM 1024 CG LYS A 65 4.845 16.242 2.827 1.00 0.00 C ATOM 1025 CD LYS A 65 4.466 17.483 3.647 1.00 0.00 C ATOM 1026 CE LYS A 65 5.010 17.427 5.085 1.00 0.00 C ATOM 1027 NZ LYS A 65 4.579 18.596 5.892 1.00 0.00 N ATOM 0 H LYS A 65 8.660 15.412 1.345 1.00 0.00 H new ATOM 0 HA LYS A 65 6.140 14.042 2.183 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.881 16.057 3.533 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.721 17.008 2.071 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.328 16.277 1.868 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.493 15.351 3.346 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.851 18.374 3.151 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.381 17.578 3.676 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.669 16.510 5.565 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.099 17.387 5.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.968 18.517 6.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.926 19.471 5.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.540 18.621 5.940 1.00 0.00 H new ATOM 1041 N VAL A 66 5.233 14.286 -0.133 1.00 0.00 N ATOM 1042 CA VAL A 66 4.674 14.349 -1.478 1.00 0.00 C ATOM 1043 C VAL A 66 3.963 15.696 -1.643 1.00 0.00 C ATOM 1044 O VAL A 66 3.279 16.152 -0.723 1.00 0.00 O ATOM 1045 CB VAL A 66 3.742 13.133 -1.682 1.00 0.00 C ATOM 1046 CG1 VAL A 66 2.932 13.213 -2.987 1.00 0.00 C ATOM 1047 CG2 VAL A 66 4.575 11.840 -1.735 1.00 0.00 C ATOM 0 H VAL A 66 4.761 13.610 0.468 1.00 0.00 H new ATOM 0 HA VAL A 66 5.444 14.294 -2.247 1.00 0.00 H new ATOM 0 HB VAL A 66 3.050 13.135 -0.840 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.296 12.332 -3.075 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.311 14.109 -2.976 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.614 13.255 -3.836 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.913 10.986 -1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.281 11.896 -2.564 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.122 11.721 -0.800 1.00 0.00 H new ATOM 1057 N LEU A 67 4.092 16.310 -2.825 1.00 0.00 N ATOM 1058 CA LEU A 67 3.413 17.555 -3.183 1.00 0.00 C ATOM 1059 C LEU A 67 2.422 17.318 -4.326 1.00 0.00 C ATOM 1060 O LEU A 67 1.336 17.897 -4.301 1.00 0.00 O ATOM 1061 CB LEU A 67 4.436 18.642 -3.570 1.00 0.00 C ATOM 1062 CG LEU A 67 5.461 18.996 -2.473 1.00 0.00 C ATOM 1063 CD1 LEU A 67 6.440 20.050 -3.002 1.00 0.00 C ATOM 1064 CD2 LEU A 67 4.809 19.526 -1.189 1.00 0.00 C ATOM 0 H LEU A 67 4.683 15.946 -3.572 1.00 0.00 H new ATOM 0 HA LEU A 67 2.857 17.903 -2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.976 18.311 -4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.895 19.547 -3.845 1.00 0.00 H new ATOM 0 HG LEU A 67 5.980 18.071 -2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.163 20.298 -2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.964 19.655 -3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.890 20.947 -3.286 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.583 19.757 -0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.242 20.429 -1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.138 18.769 -0.782 1.00 0.00 H new ATOM 1076 N SER A 68 2.750 16.470 -5.307 1.00 0.00 N ATOM 1077 CA SER A 68 1.866 16.028 -6.396 1.00 0.00 C ATOM 1078 C SER A 68 2.509 14.816 -7.081 1.00 0.00 C ATOM 1079 O SER A 68 3.725 14.648 -6.985 1.00 0.00 O ATOM 1080 CB SER A 68 1.699 17.154 -7.433 1.00 0.00 C ATOM 1081 OG SER A 68 0.925 18.225 -6.925 1.00 0.00 O ATOM 0 H SER A 68 3.679 16.054 -5.368 1.00 0.00 H new ATOM 0 HA SER A 68 0.888 15.769 -5.989 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.681 17.524 -7.730 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.224 16.755 -8.329 1.00 0.00 H new ATOM 0 HG SER A 68 0.712 18.057 -5.983 1.00 0.00 H new ATOM 1087 N ALA A 69 1.739 13.998 -7.810 1.00 0.00 N ATOM 1088 CA ALA A 69 2.278 12.942 -8.664 1.00 0.00 C ATOM 1089 C ALA A 69 1.290 12.582 -9.780 1.00 0.00 C ATOM 1090 O ALA A 69 0.078 12.748 -9.607 1.00 0.00 O ATOM 1091 CB ALA A 69 2.602 11.702 -7.823 1.00 0.00 C ATOM 0 H ALA A 69 0.721 14.054 -7.821 1.00 0.00 H new ATOM 0 HA ALA A 69 3.194 13.309 -9.127 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.003 10.920 -8.468 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.340 11.960 -7.063 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.694 11.343 -7.339 1.00 0.00 H new ATOM 1097 N SER A 70 1.817 12.056 -10.889 1.00 0.00 N ATOM 1098 CA SER A 70 1.080 11.712 -12.107 1.00 0.00 C ATOM 1099 C SER A 70 1.806 10.582 -12.850 1.00 0.00 C ATOM 1100 O SER A 70 3.019 10.429 -12.702 1.00 0.00 O ATOM 1101 CB SER A 70 1.019 12.941 -13.033 1.00 0.00 C ATOM 1102 OG SER A 70 0.419 14.066 -12.403 1.00 0.00 O ATOM 0 H SER A 70 2.813 11.849 -10.965 1.00 0.00 H new ATOM 0 HA SER A 70 0.074 11.393 -11.834 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.028 13.202 -13.352 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.456 12.688 -13.931 1.00 0.00 H new ATOM 0 HG SER A 70 0.404 14.821 -13.027 1.00 0.00 H new ATOM 1108 N SER A 71 1.096 9.813 -13.681 1.00 0.00 N ATOM 1109 CA SER A 71 1.689 8.831 -14.591 1.00 0.00 C ATOM 1110 C SER A 71 2.746 9.488 -15.497 1.00 0.00 C ATOM 1111 O SER A 71 2.622 10.665 -15.848 1.00 0.00 O ATOM 1112 CB SER A 71 0.575 8.186 -15.426 1.00 0.00 C ATOM 1113 OG SER A 71 -0.492 7.750 -14.592 1.00 0.00 O ATOM 0 H SER A 71 0.079 9.857 -13.741 1.00 0.00 H new ATOM 0 HA SER A 71 2.195 8.060 -14.009 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.201 8.902 -16.158 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.976 7.340 -15.984 1.00 0.00 H new ATOM 0 HG SER A 71 -1.193 7.343 -15.143 1.00 0.00 H new ATOM 1119 N TYR A 72 3.796 8.745 -15.868 1.00 0.00 N ATOM 1120 CA TYR A 72 4.934 9.317 -16.582 1.00 0.00 C ATOM 1121 C TYR A 72 4.556 9.705 -18.014 1.00 0.00 C ATOM 1122 O TYR A 72 3.890 8.938 -18.715 1.00 0.00 O ATOM 1123 CB TYR A 72 6.118 8.336 -16.599 1.00 0.00 C ATOM 1124 CG TYR A 72 7.336 8.846 -17.352 1.00 0.00 C ATOM 1125 CD1 TYR A 72 8.313 9.607 -16.683 1.00 0.00 C ATOM 1126 CD2 TYR A 72 7.482 8.582 -18.730 1.00 0.00 C ATOM 1127 CE1 TYR A 72 9.425 10.110 -17.381 1.00 0.00 C ATOM 1128 CE2 TYR A 72 8.593 9.079 -19.433 1.00 0.00 C ATOM 1129 CZ TYR A 72 9.575 9.842 -18.761 1.00 0.00 C ATOM 1130 OH TYR A 72 10.662 10.294 -19.447 1.00 0.00 O ATOM 0 H TYR A 72 3.877 7.745 -15.683 1.00 0.00 H new ATOM 0 HA TYR A 72 5.232 10.220 -16.050 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.406 8.113 -15.572 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.792 7.398 -17.049 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.208 9.806 -15.627 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.737 7.996 -19.247 1.00 0.00 H new ATOM 0 HE1 TYR A 72 10.165 10.702 -16.863 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.697 8.877 -20.489 1.00 0.00 H new ATOM 0 HH TYR A 72 10.597 10.014 -20.384 1.00 0.00 H new ATOM 1140 N SER A 73 5.075 10.855 -18.447 1.00 0.00 N ATOM 1141 CA SER A 73 5.092 11.334 -19.818 1.00 0.00 C ATOM 1142 C SER A 73 6.368 12.179 -19.942 1.00 0.00 C ATOM 1143 O SER A 73 6.635 12.965 -19.030 1.00 0.00 O ATOM 1144 CB SER A 73 3.852 12.190 -20.115 1.00 0.00 C ATOM 1145 OG SER A 73 2.653 11.438 -20.031 1.00 0.00 O ATOM 0 H SER A 73 5.520 11.512 -17.806 1.00 0.00 H new ATOM 0 HA SER A 73 5.079 10.508 -20.529 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.808 13.021 -19.411 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.940 12.621 -21.112 1.00 0.00 H new ATOM 0 HG SER A 73 1.888 12.019 -20.225 1.00 0.00 H new ATOM 1151 N PRO A 74 7.166 12.053 -21.016 1.00 0.00 N ATOM 1152 CA PRO A 74 8.490 12.666 -21.077 1.00 0.00 C ATOM 1153 C PRO A 74 8.428 14.195 -21.055 1.00 0.00 C ATOM 1154 O PRO A 74 9.145 14.841 -20.291 1.00 0.00 O ATOM 1155 CB PRO A 74 9.133 12.145 -22.366 1.00 0.00 C ATOM 1156 CG PRO A 74 7.968 11.624 -23.209 1.00 0.00 C ATOM 1157 CD PRO A 74 6.927 11.208 -22.175 1.00 0.00 C ATOM 0 HA PRO A 74 9.079 12.399 -20.200 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.673 12.937 -22.886 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.853 11.354 -22.156 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.582 12.394 -23.877 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.270 10.783 -23.833 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.916 11.346 -22.559 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.029 10.153 -21.919 1.00 0.00 H new ATOM 1165 N ASP A 75 7.554 14.780 -21.875 1.00 0.00 N ATOM 1166 CA ASP A 75 7.396 16.231 -21.945 1.00 0.00 C ATOM 1167 C ASP A 75 6.874 16.785 -20.615 1.00 0.00 C ATOM 1168 O ASP A 75 7.332 17.827 -20.149 1.00 0.00 O ATOM 1169 CB ASP A 75 6.449 16.594 -23.091 1.00 0.00 C ATOM 1170 CG ASP A 75 6.264 18.112 -23.206 1.00 0.00 C ATOM 1171 OD1 ASP A 75 7.225 18.821 -23.578 1.00 0.00 O ATOM 1172 OD2 ASP A 75 5.136 18.599 -22.968 1.00 0.00 O ATOM 0 H ASP A 75 6.940 14.264 -22.505 1.00 0.00 H new ATOM 0 HA ASP A 75 8.370 16.682 -22.136 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.843 16.202 -24.029 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.481 16.119 -22.929 1.00 0.00 H new ATOM 1177 N GLU A 76 5.955 16.062 -19.969 1.00 0.00 N ATOM 1178 CA GLU A 76 5.378 16.466 -18.692 1.00 0.00 C ATOM 1179 C GLU A 76 6.417 16.365 -17.566 1.00 0.00 C ATOM 1180 O GLU A 76 6.422 17.194 -16.655 1.00 0.00 O ATOM 1181 CB GLU A 76 4.148 15.600 -18.379 1.00 0.00 C ATOM 1182 CG GLU A 76 3.159 16.326 -17.459 1.00 0.00 C ATOM 1183 CD GLU A 76 2.231 15.341 -16.723 1.00 0.00 C ATOM 1184 OE1 GLU A 76 2.641 14.799 -15.672 1.00 0.00 O ATOM 1185 OE2 GLU A 76 1.084 15.127 -17.182 1.00 0.00 O ATOM 0 H GLU A 76 5.591 15.177 -20.322 1.00 0.00 H new ATOM 0 HA GLU A 76 5.066 17.508 -18.763 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.648 15.330 -19.309 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.468 14.671 -17.907 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.710 16.920 -16.730 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.559 17.020 -18.047 1.00 0.00 H new ATOM 1192 N TRP A 77 7.300 15.366 -17.617 1.00 0.00 N ATOM 1193 CA TRP A 77 8.416 15.220 -16.692 1.00 0.00 C ATOM 1194 C TRP A 77 9.334 16.429 -16.833 1.00 0.00 C ATOM 1195 O TRP A 77 9.640 17.071 -15.829 1.00 0.00 O ATOM 1196 CB TRP A 77 9.139 13.891 -16.977 1.00 0.00 C ATOM 1197 CG TRP A 77 10.504 13.677 -16.396 1.00 0.00 C ATOM 1198 CD1 TRP A 77 11.576 13.305 -17.123 1.00 0.00 C ATOM 1199 CD2 TRP A 77 10.980 13.751 -15.014 1.00 0.00 C ATOM 1200 NE1 TRP A 77 12.680 13.164 -16.311 1.00 0.00 N ATOM 1201 CE2 TRP A 77 12.368 13.414 -14.993 1.00 0.00 C ATOM 1202 CE3 TRP A 77 10.385 14.066 -13.775 1.00 0.00 C ATOM 1203 CZ2 TRP A 77 13.123 13.397 -13.809 1.00 0.00 C ATOM 1204 CZ3 TRP A 77 11.126 14.028 -12.578 1.00 0.00 C ATOM 1205 CH2 TRP A 77 12.493 13.702 -12.591 1.00 0.00 C ATOM 0 H TRP A 77 7.255 14.625 -18.316 1.00 0.00 H new ATOM 0 HA TRP A 77 8.070 15.186 -15.659 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.498 13.083 -16.623 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.219 13.783 -18.059 1.00 0.00 H new ATOM 0 HD1 TRP A 77 11.570 13.141 -18.190 1.00 0.00 H new ATOM 0 HE1 TRP A 77 13.610 12.907 -16.643 1.00 0.00 H new ATOM 0 HE3 TRP A 77 9.341 14.342 -13.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 14.175 13.153 -13.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 10.639 14.252 -11.640 1.00 0.00 H new ATOM 0 HH2 TRP A 77 13.056 13.686 -11.670 1.00 0.00 H new ATOM 1216 N GLU A 78 9.725 16.792 -18.057 1.00 0.00 N ATOM 1217 CA GLU A 78 10.653 17.898 -18.269 1.00 0.00 C ATOM 1218 C GLU A 78 10.070 19.238 -17.834 1.00 0.00 C ATOM 1219 O GLU A 78 10.780 20.050 -17.238 1.00 0.00 O ATOM 1220 CB GLU A 78 11.146 17.935 -19.722 1.00 0.00 C ATOM 1221 CG GLU A 78 12.131 16.795 -20.016 1.00 0.00 C ATOM 1222 CD GLU A 78 12.693 16.889 -21.445 1.00 0.00 C ATOM 1223 OE1 GLU A 78 13.716 17.581 -21.653 1.00 0.00 O ATOM 1224 OE2 GLU A 78 12.139 16.259 -22.374 1.00 0.00 O ATOM 0 H GLU A 78 9.412 16.335 -18.913 1.00 0.00 H new ATOM 0 HA GLU A 78 11.517 17.718 -17.629 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.294 17.863 -20.398 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.628 18.893 -19.918 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.951 16.827 -19.299 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.629 15.836 -19.884 1.00 0.00 H new ATOM 1231 N ARG A 79 8.770 19.453 -18.049 1.00 0.00 N ATOM 1232 CA ARG A 79 8.065 20.597 -17.485 1.00 0.00 C ATOM 1233 C ARG A 79 8.196 20.595 -15.964 1.00 0.00 C ATOM 1234 O ARG A 79 8.652 21.583 -15.387 1.00 0.00 O ATOM 1235 CB ARG A 79 6.591 20.508 -17.880 1.00 0.00 C ATOM 1236 CG ARG A 79 6.319 20.931 -19.329 1.00 0.00 C ATOM 1237 CD ARG A 79 4.839 20.710 -19.666 1.00 0.00 C ATOM 1238 NE ARG A 79 4.639 20.609 -21.116 1.00 0.00 N ATOM 1239 CZ ARG A 79 4.208 21.543 -21.967 1.00 0.00 C ATOM 1240 NH1 ARG A 79 3.867 22.762 -21.558 1.00 0.00 N ATOM 1241 NH2 ARG A 79 4.137 21.203 -23.246 1.00 0.00 N ATOM 0 H ARG A 79 8.183 18.841 -18.616 1.00 0.00 H new ATOM 0 HA ARG A 79 8.497 21.521 -17.869 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.246 19.484 -17.738 1.00 0.00 H new ATOM 0 HB3 ARG A 79 6.005 21.137 -17.210 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.580 21.980 -19.466 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.946 20.355 -20.009 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.484 19.800 -19.182 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.245 21.534 -19.270 1.00 0.00 H new ATOM 0 HE ARG A 79 4.859 19.703 -21.530 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.931 23.005 -20.569 1.00 0.00 H new ATOM 0 HH12 ARG A 79 3.541 23.454 -22.233 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.405 20.264 -23.540 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.814 21.880 -23.937 1.00 0.00 H new ATOM 1255 N GLN A 80 7.814 19.490 -15.317 1.00 0.00 N ATOM 1256 CA GLN A 80 7.782 19.399 -13.863 1.00 0.00 C ATOM 1257 C GLN A 80 9.172 19.582 -13.259 1.00 0.00 C ATOM 1258 O GLN A 80 9.265 20.196 -12.200 1.00 0.00 O ATOM 1259 CB GLN A 80 7.111 18.088 -13.415 1.00 0.00 C ATOM 1260 CG GLN A 80 5.584 18.220 -13.528 1.00 0.00 C ATOM 1261 CD GLN A 80 4.842 16.889 -13.429 1.00 0.00 C ATOM 1262 OE1 GLN A 80 4.255 16.547 -12.405 1.00 0.00 O ATOM 1263 NE2 GLN A 80 4.823 16.147 -14.519 1.00 0.00 N ATOM 0 H GLN A 80 7.519 18.636 -15.791 1.00 0.00 H new ATOM 0 HA GLN A 80 7.174 20.219 -13.482 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.460 17.260 -14.032 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.390 17.859 -12.387 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.227 18.884 -12.741 1.00 0.00 H new ATOM 0 HG3 GLN A 80 5.339 18.692 -14.479 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.319 16.456 -15.355 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.312 15.264 -14.526 1.00 0.00 H new ATOM 1272 N CYS A 81 10.250 19.155 -13.928 1.00 0.00 N ATOM 1273 CA CYS A 81 11.615 19.295 -13.421 1.00 0.00 C ATOM 1274 C CYS A 81 11.937 20.748 -13.063 1.00 0.00 C ATOM 1275 O CYS A 81 12.596 20.995 -12.054 1.00 0.00 O ATOM 1276 CB CYS A 81 12.636 18.808 -14.456 1.00 0.00 C ATOM 1277 SG CYS A 81 12.542 17.014 -14.695 1.00 0.00 S ATOM 0 H CYS A 81 10.197 18.701 -14.840 1.00 0.00 H new ATOM 0 HA CYS A 81 11.680 18.683 -12.521 1.00 0.00 H new ATOM 0 HB2 CYS A 81 12.460 19.312 -15.406 1.00 0.00 H new ATOM 0 HB3 CYS A 81 13.641 19.080 -14.133 1.00 0.00 H new ATOM 0 HG CYS A 81 11.379 16.702 -15.186 1.00 0.00 H new ATOM 1283 N LYS A 82 11.456 21.713 -13.859 1.00 0.00 N ATOM 1284 CA LYS A 82 11.745 23.124 -13.636 1.00 0.00 C ATOM 1285 C LYS A 82 11.152 23.596 -12.317 1.00 0.00 C ATOM 1286 O LYS A 82 11.717 24.478 -11.670 1.00 0.00 O ATOM 1287 CB LYS A 82 11.236 23.989 -14.798 1.00 0.00 C ATOM 1288 CG LYS A 82 12.011 23.718 -16.100 1.00 0.00 C ATOM 1289 CD LYS A 82 11.530 24.576 -17.278 1.00 0.00 C ATOM 1290 CE LYS A 82 10.120 24.181 -17.742 1.00 0.00 C ATOM 1291 NZ LYS A 82 9.664 24.998 -18.895 1.00 0.00 N ATOM 0 H LYS A 82 10.861 21.533 -14.668 1.00 0.00 H new ATOM 0 HA LYS A 82 12.828 23.235 -13.586 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.176 23.792 -14.959 1.00 0.00 H new ATOM 0 HB3 LYS A 82 11.328 25.042 -14.534 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.071 23.906 -15.930 1.00 0.00 H new ATOM 0 HG3 LYS A 82 11.912 22.664 -16.362 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.534 25.626 -16.987 1.00 0.00 H new ATOM 0 HD3 LYS A 82 12.227 24.473 -18.110 1.00 0.00 H new ATOM 0 HE2 LYS A 82 10.112 23.127 -18.019 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.420 24.299 -16.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.708 24.699 -19.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.647 26.002 -18.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.317 24.866 -19.694 1.00 0.00 H new ATOM 1305 N VAL A 83 10.036 23.004 -11.892 1.00 0.00 N ATOM 1306 CA VAL A 83 9.299 23.421 -10.710 1.00 0.00 C ATOM 1307 C VAL A 83 10.112 23.153 -9.429 1.00 0.00 C ATOM 1308 O VAL A 83 9.778 23.692 -8.375 1.00 0.00 O ATOM 1309 CB VAL A 83 7.884 22.784 -10.709 1.00 0.00 C ATOM 1310 CG1 VAL A 83 6.956 23.419 -9.660 1.00 0.00 C ATOM 1311 CG2 VAL A 83 7.180 22.949 -12.074 1.00 0.00 C ATOM 0 H VAL A 83 9.615 22.208 -12.371 1.00 0.00 H new ATOM 0 HA VAL A 83 9.147 24.500 -10.734 1.00 0.00 H new ATOM 0 HB VAL A 83 8.051 21.731 -10.480 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.979 22.938 -9.700 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.385 23.287 -8.667 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.846 24.483 -9.869 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.192 22.490 -12.032 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.078 24.009 -12.305 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.773 22.464 -12.850 1.00 0.00 H new ATOM 1321 N ALA A 84 11.218 22.392 -9.502 1.00 0.00 N ATOM 1322 CA ALA A 84 12.163 22.260 -8.398 1.00 0.00 C ATOM 1323 C ALA A 84 12.657 23.630 -7.908 1.00 0.00 C ATOM 1324 O ALA A 84 12.857 23.822 -6.709 1.00 0.00 O ATOM 1325 CB ALA A 84 13.356 21.406 -8.842 1.00 0.00 C ATOM 0 H ALA A 84 11.475 21.855 -10.330 1.00 0.00 H new ATOM 0 HA ALA A 84 11.647 21.776 -7.569 1.00 0.00 H new ATOM 0 HB1 ALA A 84 14.061 21.308 -8.016 1.00 0.00 H new ATOM 0 HB2 ALA A 84 13.005 20.417 -9.139 1.00 0.00 H new ATOM 0 HB3 ALA A 84 13.851 21.884 -9.687 1.00 0.00 H new ATOM 1331 N GLY A 85 12.854 24.592 -8.818 1.00 0.00 N ATOM 1332 CA GLY A 85 13.443 25.872 -8.447 1.00 0.00 C ATOM 1333 C GLY A 85 13.536 26.873 -9.587 1.00 0.00 C ATOM 1334 O GLY A 85 14.541 27.573 -9.682 1.00 0.00 O ATOM 0 H GLY A 85 12.615 24.504 -9.806 1.00 0.00 H new ATOM 0 HA2 GLY A 85 12.853 26.310 -7.642 1.00 0.00 H new ATOM 0 HA3 GLY A 85 14.443 25.697 -8.051 1.00 0.00 H new ATOM 1338 N LYS A 86 12.547 26.890 -10.488 1.00 0.00 N ATOM 1339 CA LYS A 86 12.527 27.614 -11.766 1.00 0.00 C ATOM 1340 C LYS A 86 13.798 27.361 -12.580 1.00 0.00 C ATOM 1341 O LYS A 86 14.233 28.210 -13.359 1.00 0.00 O ATOM 1342 CB LYS A 86 12.053 29.081 -11.615 1.00 0.00 C ATOM 1343 CG LYS A 86 12.790 30.032 -10.652 1.00 0.00 C ATOM 1344 CD LYS A 86 14.194 30.460 -11.111 1.00 0.00 C ATOM 1345 CE LYS A 86 14.887 31.382 -10.097 1.00 0.00 C ATOM 1346 NZ LYS A 86 14.253 32.722 -9.993 1.00 0.00 N ATOM 0 H LYS A 86 11.685 26.366 -10.335 1.00 0.00 H new ATOM 0 HA LYS A 86 11.745 27.194 -12.399 1.00 0.00 H new ATOM 0 HB2 LYS A 86 12.083 29.535 -12.605 1.00 0.00 H new ATOM 0 HB3 LYS A 86 11.008 29.054 -11.308 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.182 30.926 -10.511 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.874 29.547 -9.679 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.807 29.573 -11.269 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.119 30.971 -12.071 1.00 0.00 H new ATOM 0 HE2 LYS A 86 14.877 30.906 -9.117 1.00 0.00 H new ATOM 0 HE3 LYS A 86 15.932 31.503 -10.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 14.766 33.296 -9.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 14.286 33.194 -10.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.263 32.615 -9.693 1.00 0.00 H new ATOM 1360 N THR A 87 14.384 26.176 -12.391 1.00 0.00 N ATOM 1361 CA THR A 87 15.679 25.795 -12.915 1.00 0.00 C ATOM 1362 C THR A 87 15.641 24.288 -13.196 1.00 0.00 C ATOM 1363 O THR A 87 14.970 23.547 -12.474 1.00 0.00 O ATOM 1364 CB THR A 87 16.785 26.146 -11.891 1.00 0.00 C ATOM 1365 OG1 THR A 87 16.653 27.451 -11.355 1.00 0.00 O ATOM 1366 CG2 THR A 87 18.192 26.060 -12.490 1.00 0.00 C ATOM 0 H THR A 87 13.945 25.434 -11.847 1.00 0.00 H new ATOM 0 HA THR A 87 15.903 26.335 -13.835 1.00 0.00 H new ATOM 0 HB THR A 87 16.656 25.402 -11.105 1.00 0.00 H new ATOM 0 HG1 THR A 87 16.011 27.437 -10.615 1.00 0.00 H new ATOM 0 HG21 THR A 87 18.928 26.316 -11.728 1.00 0.00 H new ATOM 0 HG22 THR A 87 18.375 25.046 -12.845 1.00 0.00 H new ATOM 0 HG23 THR A 87 18.276 26.757 -13.324 1.00 0.00 H new ATOM 1374 N GLN A 88 16.370 23.836 -14.217 1.00 0.00 N ATOM 1375 CA GLN A 88 16.539 22.437 -14.590 1.00 0.00 C ATOM 1376 C GLN A 88 17.988 22.294 -15.052 1.00 0.00 C ATOM 1377 O GLN A 88 18.677 21.365 -14.584 1.00 0.00 O ATOM 1378 CB GLN A 88 15.533 22.066 -15.699 1.00 0.00 C ATOM 1379 CG GLN A 88 15.670 20.614 -16.191 1.00 0.00 C ATOM 1380 CD GLN A 88 14.698 20.260 -17.327 1.00 0.00 C ATOM 1381 OE1 GLN A 88 14.212 21.112 -18.066 1.00 0.00 O ATOM 1382 NE2 GLN A 88 14.405 18.981 -17.509 1.00 0.00 N ATOM 1383 OXT GLN A 88 18.449 23.143 -15.845 1.00 0.00 O ATOM 0 H GLN A 88 16.881 24.468 -14.833 1.00 0.00 H new ATOM 0 HA GLN A 88 16.343 21.758 -13.760 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.520 22.221 -15.327 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.669 22.742 -16.543 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.692 20.449 -16.533 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.501 19.937 -15.354 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.808 18.273 -16.895 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.776 18.704 -18.263 1.00 0.00 H new TER 1392 GLN A 88