USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 576 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 50 THR OG1 : rot 180:sc= -0.391 USER MOD Set 1.2: A 53 GLN : amide:sc= 0.57 K(o=0.18,f=-5.5!) USER MOD Set 2.1: A 40 LYS NZ :NH3+ -114:sc= 0.174 (180deg=0) USER MOD Set 2.2: A 55 ASN : amide:sc= -0.453 K(o=-0.28,f=-5!) USER MOD Set 3.1: A 24 SER OG : rot -80:sc= 0.139 USER MOD Set 3.2: A 28 GLN : amide:sc= 0.132 X(o=0.27,f=-0.22) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.414 K(o=-0.41,f=-2!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-2.7!) USER MOD Single : A 19 THR OG1 : rot -10:sc= 0.479 USER MOD Single : A 20 ASN :FLIP amide:sc= -1.03 F(o=-2.9!,f=-1) USER MOD Single : A 22 MET CE :methyl -158:sc= -0.149 (180deg=-1.7) USER MOD Single : A 29 HIS : no HD1:sc= -4.13 K(o=-4.1,f=-5.5!) USER MOD Single : A 32 HIS : no HD1:sc= -3.71 X(o=-3.7,f=-3.7!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0646 USER MOD Single : A 41 LYS NZ :NH3+ -136:sc= 0.167 (180deg=-0.0911) USER MOD Single : A 42 GLN : amide:sc= -0.0336 K(o=-0.034,f=-0.79) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot -65:sc= 0.743 USER MOD Single : A 48 ASN : amide:sc= -1.42 K(o=-1.4,f=-3.5!) USER MOD Single : A 56 ASN : amide:sc= 0.59 K(o=0.59,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.194 K(o=-0.19,f=-1.6!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 36:sc= 0.908 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.680 -16.536 17.838 1.00 0.00 N ATOM 2 CA GLY A 1 -3.364 -16.241 18.373 1.00 0.00 C ATOM 3 C GLY A 1 -2.373 -15.854 17.293 1.00 0.00 C ATOM 4 O GLY A 1 -2.069 -16.650 16.405 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.321 -16.795 18.615 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.052 -15.697 17.348 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.612 -17.328 17.167 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.443 -15.430 19.097 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.990 -17.113 18.910 1.00 0.00 H new ATOM 8 N SER A 2 -1.869 -14.626 17.367 1.00 0.00 N ATOM 9 CA SER A 2 -0.910 -14.132 16.385 1.00 0.00 C ATOM 10 C SER A 2 0.279 -13.469 17.072 1.00 0.00 C ATOM 11 O SER A 2 0.158 -12.949 18.181 1.00 0.00 O ATOM 12 CB SER A 2 -1.586 -13.139 15.437 1.00 0.00 C ATOM 13 OG SER A 2 -0.712 -12.763 14.386 1.00 0.00 O ATOM 0 H SER A 2 -2.109 -13.955 18.097 1.00 0.00 H new ATOM 0 HA SER A 2 -0.545 -14.983 15.809 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.489 -13.585 15.021 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.895 -12.253 15.992 1.00 0.00 H new ATOM 0 HG SER A 2 -1.167 -12.130 13.793 1.00 0.00 H new ATOM 19 N SER A 3 1.428 -13.491 16.405 1.00 0.00 N ATOM 20 CA SER A 3 2.642 -12.896 16.952 1.00 0.00 C ATOM 21 C SER A 3 3.450 -12.206 15.857 1.00 0.00 C ATOM 22 O SER A 3 3.098 -12.265 14.679 1.00 0.00 O ATOM 23 CB SER A 3 3.496 -13.964 17.636 1.00 0.00 C ATOM 24 OG SER A 3 2.771 -14.616 18.664 1.00 0.00 O ATOM 0 H SER A 3 1.544 -13.915 15.484 1.00 0.00 H new ATOM 0 HA SER A 3 2.350 -12.148 17.689 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.827 -14.696 16.899 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.392 -13.505 18.054 1.00 0.00 H new ATOM 0 HG SER A 3 3.339 -15.295 19.084 1.00 0.00 H new ATOM 30 N GLY A 4 4.537 -11.552 16.255 1.00 0.00 N ATOM 31 CA GLY A 4 5.379 -10.860 15.296 1.00 0.00 C ATOM 32 C GLY A 4 6.854 -10.989 15.622 1.00 0.00 C ATOM 33 O GLY A 4 7.220 -11.453 16.701 1.00 0.00 O ATOM 0 H GLY A 4 4.850 -11.489 17.224 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.194 -11.260 14.299 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.106 -9.805 15.272 1.00 0.00 H new ATOM 37 N SER A 5 7.703 -10.578 14.685 1.00 0.00 N ATOM 38 CA SER A 5 9.146 -10.655 14.875 1.00 0.00 C ATOM 39 C SER A 5 9.877 -9.811 13.835 1.00 0.00 C ATOM 40 O SER A 5 9.422 -9.675 12.699 1.00 0.00 O ATOM 41 CB SER A 5 9.617 -12.109 14.790 1.00 0.00 C ATOM 42 OG SER A 5 10.886 -12.270 15.399 1.00 0.00 O ATOM 0 H SER A 5 7.416 -10.188 13.787 1.00 0.00 H new ATOM 0 HA SER A 5 9.378 -10.262 15.865 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.891 -12.759 15.278 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.669 -12.417 13.746 1.00 0.00 H new ATOM 0 HG SER A 5 11.164 -13.207 15.333 1.00 0.00 H new ATOM 48 N SER A 6 11.013 -9.246 14.232 1.00 0.00 N ATOM 49 CA SER A 6 11.805 -8.412 13.336 1.00 0.00 C ATOM 50 C SER A 6 13.272 -8.830 13.361 1.00 0.00 C ATOM 51 O SER A 6 13.671 -9.692 14.143 1.00 0.00 O ATOM 52 CB SER A 6 11.677 -6.939 13.730 1.00 0.00 C ATOM 53 OG SER A 6 12.501 -6.634 14.842 1.00 0.00 O ATOM 0 H SER A 6 11.405 -9.351 15.168 1.00 0.00 H new ATOM 0 HA SER A 6 11.424 -8.545 12.324 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.953 -6.308 12.885 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.638 -6.713 13.970 1.00 0.00 H new ATOM 0 HG SER A 6 12.402 -5.687 15.072 1.00 0.00 H new ATOM 59 N GLY A 7 14.072 -8.213 12.496 1.00 0.00 N ATOM 60 CA GLY A 7 15.486 -8.534 12.434 1.00 0.00 C ATOM 61 C GLY A 7 16.187 -7.841 11.283 1.00 0.00 C ATOM 62 O GLY A 7 16.013 -6.640 11.072 1.00 0.00 O ATOM 0 H GLY A 7 13.766 -7.497 11.837 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.962 -8.247 13.371 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.607 -9.613 12.333 1.00 0.00 H new ATOM 66 N LYS A 8 16.985 -8.597 10.537 1.00 0.00 N ATOM 67 CA LYS A 8 17.717 -8.049 9.401 1.00 0.00 C ATOM 68 C LYS A 8 16.834 -7.998 8.158 1.00 0.00 C ATOM 69 O LYS A 8 16.860 -8.907 7.329 1.00 0.00 O ATOM 70 CB LYS A 8 18.965 -8.889 9.118 1.00 0.00 C ATOM 71 CG LYS A 8 20.121 -8.596 10.059 1.00 0.00 C ATOM 72 CD LYS A 8 19.847 -9.121 11.459 1.00 0.00 C ATOM 73 CE LYS A 8 20.970 -8.758 12.419 1.00 0.00 C ATOM 74 NZ LYS A 8 21.026 -9.686 13.582 1.00 0.00 N ATOM 0 H LYS A 8 17.142 -9.592 10.699 1.00 0.00 H new ATOM 0 HA LYS A 8 18.020 -7.033 9.653 1.00 0.00 H new ATOM 0 HB2 LYS A 8 18.706 -9.945 9.192 1.00 0.00 H new ATOM 0 HB3 LYS A 8 19.288 -8.711 8.092 1.00 0.00 H new ATOM 0 HG2 LYS A 8 21.032 -9.051 9.670 1.00 0.00 H new ATOM 0 HG3 LYS A 8 20.294 -7.521 10.100 1.00 0.00 H new ATOM 0 HD2 LYS A 8 18.906 -8.710 11.825 1.00 0.00 H new ATOM 0 HD3 LYS A 8 19.730 -10.204 11.426 1.00 0.00 H new ATOM 0 HE2 LYS A 8 21.922 -8.781 11.889 1.00 0.00 H new ATOM 0 HE3 LYS A 8 20.828 -7.738 12.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 21.804 -9.406 14.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 20.126 -9.645 14.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.187 -10.656 13.244 1.00 0.00 H new ATOM 88 N ASN A 9 16.054 -6.929 8.035 1.00 0.00 N ATOM 89 CA ASN A 9 15.164 -6.759 6.893 1.00 0.00 C ATOM 90 C ASN A 9 15.696 -5.690 5.942 1.00 0.00 C ATOM 91 O ASN A 9 16.290 -4.701 6.372 1.00 0.00 O ATOM 92 CB ASN A 9 13.759 -6.382 7.366 1.00 0.00 C ATOM 93 CG ASN A 9 13.778 -5.315 8.443 1.00 0.00 C ATOM 94 OD1 ASN A 9 14.163 -5.575 9.584 1.00 0.00 O ATOM 95 ND2 ASN A 9 13.362 -4.106 8.085 1.00 0.00 N ATOM 0 H ASN A 9 16.020 -6.167 8.713 1.00 0.00 H new ATOM 0 HA ASN A 9 15.118 -7.707 6.357 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.176 -6.026 6.516 1.00 0.00 H new ATOM 0 HB3 ASN A 9 13.257 -7.271 7.748 1.00 0.00 H new ATOM 0 HD21 ASN A 9 13.353 -3.347 8.767 1.00 0.00 H new ATOM 0 HD22 ASN A 9 13.052 -3.936 7.128 1.00 0.00 H new ATOM 102 N LYS A 10 15.478 -5.896 4.648 1.00 0.00 N ATOM 103 CA LYS A 10 15.933 -4.951 3.635 1.00 0.00 C ATOM 104 C LYS A 10 15.077 -3.688 3.646 1.00 0.00 C ATOM 105 O LYS A 10 14.141 -3.555 2.859 1.00 0.00 O ATOM 106 CB LYS A 10 15.889 -5.597 2.249 1.00 0.00 C ATOM 107 CG LYS A 10 17.110 -6.444 1.934 1.00 0.00 C ATOM 108 CD LYS A 10 17.071 -7.774 2.669 1.00 0.00 C ATOM 109 CE LYS A 10 18.434 -8.447 2.675 1.00 0.00 C ATOM 110 NZ LYS A 10 18.867 -8.835 1.304 1.00 0.00 N ATOM 0 H LYS A 10 14.989 -6.710 4.276 1.00 0.00 H new ATOM 0 HA LYS A 10 16.961 -4.674 3.868 1.00 0.00 H new ATOM 0 HB2 LYS A 10 14.997 -6.219 2.175 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.795 -4.815 1.496 1.00 0.00 H new ATOM 0 HG2 LYS A 10 17.163 -6.622 0.860 1.00 0.00 H new ATOM 0 HG3 LYS A 10 18.013 -5.900 2.212 1.00 0.00 H new ATOM 0 HD2 LYS A 10 16.738 -7.615 3.695 1.00 0.00 H new ATOM 0 HD3 LYS A 10 16.342 -8.431 2.196 1.00 0.00 H new ATOM 0 HE2 LYS A 10 19.170 -7.772 3.111 1.00 0.00 H new ATOM 0 HE3 LYS A 10 18.399 -9.333 3.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 19.801 -9.291 1.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 18.178 -9.499 0.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 18.925 -7.987 0.705 1.00 0.00 H new ATOM 124 N ARG A 11 15.406 -2.764 4.543 1.00 0.00 N ATOM 125 CA ARG A 11 14.668 -1.512 4.656 1.00 0.00 C ATOM 126 C ARG A 11 14.959 -0.600 3.467 1.00 0.00 C ATOM 127 O ARG A 11 15.903 -0.829 2.713 1.00 0.00 O ATOM 128 CB ARG A 11 15.029 -0.798 5.960 1.00 0.00 C ATOM 129 CG ARG A 11 16.456 -0.278 5.995 1.00 0.00 C ATOM 130 CD ARG A 11 16.899 0.038 7.415 1.00 0.00 C ATOM 131 NE ARG A 11 18.344 0.232 7.507 1.00 0.00 N ATOM 132 CZ ARG A 11 18.931 0.941 8.465 1.00 0.00 C ATOM 133 NH1 ARG A 11 18.201 1.520 9.408 1.00 0.00 N ATOM 134 NH2 ARG A 11 20.251 1.071 8.481 1.00 0.00 N ATOM 0 H ARG A 11 16.179 -2.859 5.202 1.00 0.00 H new ATOM 0 HA ARG A 11 13.603 -1.746 4.661 1.00 0.00 H new ATOM 0 HB2 ARG A 11 14.344 0.036 6.109 1.00 0.00 H new ATOM 0 HB3 ARG A 11 14.881 -1.485 6.793 1.00 0.00 H new ATOM 0 HG2 ARG A 11 17.126 -1.020 5.560 1.00 0.00 H new ATOM 0 HG3 ARG A 11 16.533 0.619 5.381 1.00 0.00 H new ATOM 0 HD2 ARG A 11 16.390 0.937 7.762 1.00 0.00 H new ATOM 0 HD3 ARG A 11 16.599 -0.774 8.077 1.00 0.00 H new ATOM 0 HE ARG A 11 18.935 -0.201 6.797 1.00 0.00 H new ATOM 0 HH11 ARG A 11 17.186 1.422 9.399 1.00 0.00 H new ATOM 0 HH12 ARG A 11 18.655 2.064 10.142 1.00 0.00 H new ATOM 0 HH21 ARG A 11 20.816 0.626 7.757 1.00 0.00 H new ATOM 0 HH22 ARG A 11 20.701 1.616 9.217 1.00 0.00 H new ATOM 148 N GLY A 12 14.140 0.435 3.308 1.00 0.00 N ATOM 149 CA GLY A 12 14.325 1.365 2.209 1.00 0.00 C ATOM 150 C GLY A 12 13.020 1.975 1.739 1.00 0.00 C ATOM 151 O GLY A 12 11.941 1.476 2.061 1.00 0.00 O ATOM 0 H GLY A 12 13.352 0.646 3.920 1.00 0.00 H new ATOM 0 HA2 GLY A 12 15.003 2.160 2.520 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.801 0.848 1.376 1.00 0.00 H new ATOM 155 N VAL A 13 13.116 3.059 0.975 1.00 0.00 N ATOM 156 CA VAL A 13 11.933 3.738 0.460 1.00 0.00 C ATOM 157 C VAL A 13 11.207 2.876 -0.567 1.00 0.00 C ATOM 158 O VAL A 13 11.835 2.246 -1.419 1.00 0.00 O ATOM 159 CB VAL A 13 12.298 5.088 -0.185 1.00 0.00 C ATOM 160 CG1 VAL A 13 11.066 5.738 -0.797 1.00 0.00 C ATOM 161 CG2 VAL A 13 12.944 6.010 0.838 1.00 0.00 C ATOM 0 H VAL A 13 14.001 3.485 0.699 1.00 0.00 H new ATOM 0 HA VAL A 13 11.275 3.916 1.310 1.00 0.00 H new ATOM 0 HB VAL A 13 13.018 4.907 -0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.343 6.691 -1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.650 5.082 -1.562 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.320 5.908 -0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.195 6.959 0.365 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.249 6.187 1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.851 5.546 1.224 1.00 0.00 H new ATOM 171 N LEU A 14 9.882 2.853 -0.481 1.00 0.00 N ATOM 172 CA LEU A 14 9.069 2.068 -1.403 1.00 0.00 C ATOM 173 C LEU A 14 8.573 2.930 -2.560 1.00 0.00 C ATOM 174 O LEU A 14 8.468 4.152 -2.456 1.00 0.00 O ATOM 175 CB LEU A 14 7.880 1.450 -0.667 1.00 0.00 C ATOM 176 CG LEU A 14 8.190 0.233 0.206 1.00 0.00 C ATOM 177 CD1 LEU A 14 6.971 -0.159 1.027 1.00 0.00 C ATOM 178 CD2 LEU A 14 8.656 -0.934 -0.652 1.00 0.00 C ATOM 0 H LEU A 14 9.347 3.369 0.218 1.00 0.00 H new ATOM 0 HA LEU A 14 9.691 1.270 -1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.429 2.218 -0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.131 1.162 -1.405 1.00 0.00 H new ATOM 0 HG LEU A 14 8.995 0.497 0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.210 -1.027 1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.682 0.673 1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.146 -0.404 0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.872 -1.791 -0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.873 -1.199 -1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.557 -0.649 -1.195 1.00 0.00 H new ATOM 190 N PRO A 15 8.259 2.280 -3.690 1.00 0.00 N ATOM 191 CA PRO A 15 7.765 2.966 -4.888 1.00 0.00 C ATOM 192 C PRO A 15 6.358 3.522 -4.700 1.00 0.00 C ATOM 193 O PRO A 15 5.591 3.031 -3.871 1.00 0.00 O ATOM 194 CB PRO A 15 7.769 1.867 -5.954 1.00 0.00 C ATOM 195 CG PRO A 15 7.641 0.596 -5.187 1.00 0.00 C ATOM 196 CD PRO A 15 8.359 0.823 -3.886 1.00 0.00 C ATOM 0 HA PRO A 15 8.379 3.829 -5.145 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.943 1.992 -6.654 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.689 1.886 -6.539 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.594 0.347 -5.016 1.00 0.00 H new ATOM 0 HG3 PRO A 15 8.081 -0.237 -5.735 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.892 0.275 -3.068 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.397 0.495 -3.937 1.00 0.00 H new ATOM 204 N LYS A 16 6.023 4.548 -5.474 1.00 0.00 N ATOM 205 CA LYS A 16 4.707 5.170 -5.395 1.00 0.00 C ATOM 206 C LYS A 16 3.608 4.160 -5.711 1.00 0.00 C ATOM 207 O LYS A 16 2.593 4.093 -5.017 1.00 0.00 O ATOM 208 CB LYS A 16 4.620 6.353 -6.361 1.00 0.00 C ATOM 209 CG LYS A 16 3.316 7.126 -6.261 1.00 0.00 C ATOM 210 CD LYS A 16 3.405 8.238 -5.229 1.00 0.00 C ATOM 211 CE LYS A 16 4.010 9.502 -5.822 1.00 0.00 C ATOM 212 NZ LYS A 16 2.994 10.314 -6.547 1.00 0.00 N ATOM 0 H LYS A 16 6.646 4.967 -6.164 1.00 0.00 H new ATOM 0 HA LYS A 16 4.564 5.530 -4.376 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.451 7.032 -6.167 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.739 5.988 -7.381 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.068 7.550 -7.234 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.508 6.445 -5.995 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.410 8.457 -4.842 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.009 7.905 -4.385 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.453 10.101 -5.026 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.816 9.233 -6.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.445 11.167 -6.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.589 9.751 -7.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.238 10.592 -5.889 1.00 0.00 H new ATOM 226 N HIS A 17 3.817 3.375 -6.763 1.00 0.00 N ATOM 227 CA HIS A 17 2.845 2.366 -7.170 1.00 0.00 C ATOM 228 C HIS A 17 2.428 1.504 -5.983 1.00 0.00 C ATOM 229 O HIS A 17 1.252 1.179 -5.823 1.00 0.00 O ATOM 230 CB HIS A 17 3.425 1.485 -8.277 1.00 0.00 C ATOM 231 CG HIS A 17 2.515 0.372 -8.695 1.00 0.00 C ATOM 232 ND1 HIS A 17 1.148 0.518 -8.803 1.00 0.00 N ATOM 233 CD2 HIS A 17 2.783 -0.910 -9.035 1.00 0.00 C ATOM 234 CE1 HIS A 17 0.614 -0.627 -9.189 1.00 0.00 C ATOM 235 NE2 HIS A 17 1.585 -1.510 -9.338 1.00 0.00 N ATOM 0 H HIS A 17 4.651 3.418 -7.349 1.00 0.00 H new ATOM 0 HA HIS A 17 1.963 2.880 -7.551 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.648 2.106 -9.145 1.00 0.00 H new ATOM 0 HB3 HIS A 17 4.370 1.062 -7.936 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.757 -1.375 -9.063 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -0.437 -0.810 -9.355 1.00 0.00 H new ATOM 0 HE2 HIS A 17 1.465 -2.480 -9.630 1.00 0.00 H new ATOM 244 N ALA A 18 3.399 1.136 -5.154 1.00 0.00 N ATOM 245 CA ALA A 18 3.132 0.313 -3.981 1.00 0.00 C ATOM 246 C ALA A 18 2.378 1.102 -2.917 1.00 0.00 C ATOM 247 O ALA A 18 1.364 0.642 -2.390 1.00 0.00 O ATOM 248 CB ALA A 18 4.434 -0.234 -3.413 1.00 0.00 C ATOM 0 H ALA A 18 4.378 1.395 -5.273 1.00 0.00 H new ATOM 0 HA ALA A 18 2.503 -0.523 -4.289 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.220 -0.847 -2.537 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.933 -0.841 -4.168 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.082 0.594 -3.127 1.00 0.00 H new ATOM 254 N THR A 19 2.879 2.292 -2.603 1.00 0.00 N ATOM 255 CA THR A 19 2.254 3.144 -1.599 1.00 0.00 C ATOM 256 C THR A 19 0.833 3.519 -2.005 1.00 0.00 C ATOM 257 O THR A 19 -0.030 3.732 -1.154 1.00 0.00 O ATOM 258 CB THR A 19 3.067 4.432 -1.370 1.00 0.00 C ATOM 259 OG1 THR A 19 3.156 5.179 -2.589 1.00 0.00 O ATOM 260 CG2 THR A 19 4.465 4.107 -0.866 1.00 0.00 C ATOM 0 H THR A 19 3.716 2.688 -3.030 1.00 0.00 H new ATOM 0 HA THR A 19 2.226 2.572 -0.672 1.00 0.00 H new ATOM 0 HB THR A 19 2.555 5.029 -0.615 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.823 4.634 -3.332 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.020 5.032 -0.712 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.395 3.564 0.077 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.983 3.491 -1.601 1.00 0.00 H new ATOM 268 N ASN A 20 0.596 3.598 -3.310 1.00 0.00 N ATOM 269 CA ASN A 20 -0.721 3.948 -3.829 1.00 0.00 C ATOM 270 C ASN A 20 -1.782 2.979 -3.315 1.00 0.00 C ATOM 271 O ASN A 20 -2.722 3.378 -2.627 1.00 0.00 O ATOM 272 CB ASN A 20 -0.708 3.943 -5.359 1.00 0.00 C ATOM 273 CG ASN A 20 -0.349 5.298 -5.938 1.00 0.00 C ATOM 274 OD1 ASN A 20 0.712 5.338 -6.735 1.00 0.00 O flip ATOM 275 ND2 ASN A 20 -1.020 6.296 -5.672 1.00 0.00 N flip ATOM 0 H ASN A 20 1.299 3.424 -4.028 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.968 4.950 -3.478 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.007 3.199 -5.711 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.689 3.642 -5.727 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -1.828 6.218 -5.054 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.768 7.201 -6.070 1.00 0.00 H new ATOM 282 N VAL A 21 -1.625 1.703 -3.655 1.00 0.00 N ATOM 283 CA VAL A 21 -2.568 0.677 -3.227 1.00 0.00 C ATOM 284 C VAL A 21 -2.744 0.689 -1.713 1.00 0.00 C ATOM 285 O VAL A 21 -3.847 0.893 -1.208 1.00 0.00 O ATOM 286 CB VAL A 21 -2.108 -0.726 -3.668 1.00 0.00 C ATOM 287 CG1 VAL A 21 -3.074 -1.787 -3.164 1.00 0.00 C ATOM 288 CG2 VAL A 21 -1.975 -0.791 -5.182 1.00 0.00 C ATOM 0 H VAL A 21 -0.854 1.356 -4.225 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.522 0.906 -3.702 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.129 -0.923 -3.231 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.733 -2.771 -3.485 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.115 -1.754 -2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.068 -1.597 -3.570 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.649 -1.789 -5.476 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.939 -0.574 -5.642 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.241 -0.057 -5.515 1.00 0.00 H new ATOM 298 N MET A 22 -1.648 0.469 -0.993 1.00 0.00 N ATOM 299 CA MET A 22 -1.682 0.456 0.465 1.00 0.00 C ATOM 300 C MET A 22 -2.405 1.687 1.002 1.00 0.00 C ATOM 301 O MET A 22 -3.312 1.574 1.828 1.00 0.00 O ATOM 302 CB MET A 22 -0.261 0.398 1.028 1.00 0.00 C ATOM 303 CG MET A 22 0.479 -0.884 0.681 1.00 0.00 C ATOM 304 SD MET A 22 1.849 -1.220 1.803 1.00 0.00 S ATOM 305 CE MET A 22 3.248 -0.799 0.767 1.00 0.00 C ATOM 0 H MET A 22 -0.726 0.298 -1.395 1.00 0.00 H new ATOM 0 HA MET A 22 -2.228 -0.432 0.784 1.00 0.00 H new ATOM 0 HB2 MET A 22 0.306 1.249 0.650 1.00 0.00 H new ATOM 0 HB3 MET A 22 -0.304 0.501 2.112 1.00 0.00 H new ATOM 0 HG2 MET A 22 -0.220 -1.720 0.706 1.00 0.00 H new ATOM 0 HG3 MET A 22 0.858 -0.816 -0.339 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.141 -1.301 1.140 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.052 -1.119 -0.256 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.403 0.280 0.786 1.00 0.00 H new ATOM 315 N ARG A 23 -1.998 2.860 0.530 1.00 0.00 N ATOM 316 CA ARG A 23 -2.606 4.112 0.965 1.00 0.00 C ATOM 317 C ARG A 23 -4.126 4.048 0.844 1.00 0.00 C ATOM 318 O ARG A 23 -4.842 4.147 1.841 1.00 0.00 O ATOM 319 CB ARG A 23 -2.067 5.280 0.138 1.00 0.00 C ATOM 320 CG ARG A 23 -0.771 5.863 0.679 1.00 0.00 C ATOM 321 CD ARG A 23 -0.381 7.134 -0.058 1.00 0.00 C ATOM 322 NE ARG A 23 -1.063 8.309 0.478 1.00 0.00 N ATOM 323 CZ ARG A 23 -1.218 9.441 -0.199 1.00 0.00 C ATOM 324 NH1 ARG A 23 -0.743 9.551 -1.432 1.00 0.00 N ATOM 325 NH2 ARG A 23 -1.849 10.467 0.358 1.00 0.00 N ATOM 0 H ARG A 23 -1.249 2.970 -0.154 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.348 4.268 2.012 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.905 4.944 -0.886 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.821 6.066 0.100 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.883 6.077 1.742 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.027 5.127 0.585 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.697 7.277 0.012 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.620 7.027 -1.116 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.441 8.257 1.424 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.257 8.765 -1.863 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.864 10.422 -1.949 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.215 10.386 1.307 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.968 11.336 -0.162 1.00 0.00 H new ATOM 339 N SER A 24 -4.611 3.883 -0.382 1.00 0.00 N ATOM 340 CA SER A 24 -6.045 3.810 -0.634 1.00 0.00 C ATOM 341 C SER A 24 -6.732 2.911 0.390 1.00 0.00 C ATOM 342 O SER A 24 -7.689 3.318 1.047 1.00 0.00 O ATOM 343 CB SER A 24 -6.311 3.289 -2.047 1.00 0.00 C ATOM 344 OG SER A 24 -7.518 3.818 -2.568 1.00 0.00 O ATOM 0 H SER A 24 -4.031 3.797 -1.217 1.00 0.00 H new ATOM 0 HA SER A 24 -6.456 4.815 -0.542 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.481 3.559 -2.700 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.364 2.200 -2.032 1.00 0.00 H new ATOM 0 HG SER A 24 -8.278 3.311 -2.212 1.00 0.00 H new ATOM 350 N TRP A 25 -6.235 1.686 0.519 1.00 0.00 N ATOM 351 CA TRP A 25 -6.800 0.727 1.462 1.00 0.00 C ATOM 352 C TRP A 25 -6.813 1.298 2.875 1.00 0.00 C ATOM 353 O TRP A 25 -7.860 1.354 3.523 1.00 0.00 O ATOM 354 CB TRP A 25 -6.002 -0.578 1.433 1.00 0.00 C ATOM 355 CG TRP A 25 -6.475 -1.584 2.438 1.00 0.00 C ATOM 356 CD1 TRP A 25 -7.435 -2.538 2.254 1.00 0.00 C ATOM 357 CD2 TRP A 25 -6.009 -1.736 3.783 1.00 0.00 C ATOM 358 NE1 TRP A 25 -7.595 -3.273 3.404 1.00 0.00 N ATOM 359 CE2 TRP A 25 -6.731 -2.801 4.357 1.00 0.00 C ATOM 360 CE3 TRP A 25 -5.051 -1.077 4.559 1.00 0.00 C ATOM 361 CZ2 TRP A 25 -6.524 -3.219 5.669 1.00 0.00 C ATOM 362 CZ3 TRP A 25 -4.848 -1.493 5.861 1.00 0.00 C ATOM 363 CH2 TRP A 25 -5.580 -2.556 6.405 1.00 0.00 C ATOM 0 H TRP A 25 -5.442 1.333 -0.017 1.00 0.00 H new ATOM 0 HA TRP A 25 -7.828 0.523 1.163 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -6.066 -1.013 0.436 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -4.951 -0.357 1.617 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -7.987 -2.692 1.339 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -8.250 -4.045 3.528 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -4.480 -0.258 4.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -7.088 -4.037 6.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -4.112 -0.989 6.470 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -5.396 -2.858 7.425 1.00 0.00 H new ATOM 374 N LEU A 26 -5.647 1.721 3.349 1.00 0.00 N ATOM 375 CA LEU A 26 -5.525 2.289 4.688 1.00 0.00 C ATOM 376 C LEU A 26 -6.599 3.344 4.932 1.00 0.00 C ATOM 377 O LEU A 26 -7.279 3.326 5.958 1.00 0.00 O ATOM 378 CB LEU A 26 -4.137 2.904 4.878 1.00 0.00 C ATOM 379 CG LEU A 26 -3.701 3.143 6.324 1.00 0.00 C ATOM 380 CD1 LEU A 26 -3.196 1.852 6.949 1.00 0.00 C ATOM 381 CD2 LEU A 26 -2.631 4.223 6.387 1.00 0.00 C ATOM 0 H LEU A 26 -4.772 1.682 2.827 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.661 1.485 5.411 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.405 2.252 4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.108 3.856 4.349 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.566 3.484 6.893 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.890 2.041 7.978 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.992 1.107 6.938 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.344 1.481 6.380 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.333 4.380 7.424 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.765 3.911 5.803 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.028 5.153 5.979 1.00 0.00 H new ATOM 393 N PHE A 27 -6.748 4.260 3.981 1.00 0.00 N ATOM 394 CA PHE A 27 -7.741 5.322 4.092 1.00 0.00 C ATOM 395 C PHE A 27 -9.153 4.745 4.134 1.00 0.00 C ATOM 396 O PHE A 27 -9.993 5.191 4.915 1.00 0.00 O ATOM 397 CB PHE A 27 -7.610 6.295 2.918 1.00 0.00 C ATOM 398 CG PHE A 27 -6.304 7.037 2.897 1.00 0.00 C ATOM 399 CD1 PHE A 27 -5.872 7.738 4.011 1.00 0.00 C ATOM 400 CD2 PHE A 27 -5.509 7.034 1.762 1.00 0.00 C ATOM 401 CE1 PHE A 27 -4.671 8.421 3.995 1.00 0.00 C ATOM 402 CE2 PHE A 27 -4.307 7.716 1.740 1.00 0.00 C ATOM 403 CZ PHE A 27 -3.888 8.411 2.858 1.00 0.00 C ATOM 0 H PHE A 27 -6.194 4.288 3.125 1.00 0.00 H new ATOM 0 HA PHE A 27 -7.560 5.859 5.023 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.720 5.743 1.985 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.427 7.015 2.960 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.481 7.751 4.903 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.832 6.493 0.885 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.345 8.962 4.871 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.696 7.706 0.850 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.950 8.946 2.843 1.00 0.00 H new ATOM 413 N GLN A 28 -9.405 3.752 3.288 1.00 0.00 N ATOM 414 CA GLN A 28 -10.715 3.114 3.227 1.00 0.00 C ATOM 415 C GLN A 28 -11.099 2.531 4.583 1.00 0.00 C ATOM 416 O GLN A 28 -12.274 2.512 4.952 1.00 0.00 O ATOM 417 CB GLN A 28 -10.721 2.014 2.165 1.00 0.00 C ATOM 418 CG GLN A 28 -10.734 2.544 0.740 1.00 0.00 C ATOM 419 CD GLN A 28 -10.250 1.520 -0.268 1.00 0.00 C ATOM 420 OE1 GLN A 28 -9.322 1.777 -1.035 1.00 0.00 O ATOM 421 NE2 GLN A 28 -10.878 0.350 -0.271 1.00 0.00 N ATOM 0 H GLN A 28 -8.720 3.372 2.635 1.00 0.00 H new ATOM 0 HA GLN A 28 -11.449 3.873 2.957 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.842 1.384 2.301 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -11.594 1.380 2.316 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.747 2.853 0.481 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.105 3.432 0.681 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.642 0.180 0.383 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.596 -0.379 -0.927 1.00 0.00 H new ATOM 430 N HIS A 29 -10.102 2.055 5.321 1.00 0.00 N ATOM 431 CA HIS A 29 -10.336 1.470 6.637 1.00 0.00 C ATOM 432 C HIS A 29 -9.613 2.265 7.720 1.00 0.00 C ATOM 433 O HIS A 29 -9.155 1.701 8.715 1.00 0.00 O ATOM 434 CB HIS A 29 -9.872 0.013 6.661 1.00 0.00 C ATOM 435 CG HIS A 29 -10.103 -0.710 5.370 1.00 0.00 C ATOM 436 ND1 HIS A 29 -11.326 -1.238 5.012 1.00 0.00 N ATOM 437 CD2 HIS A 29 -9.260 -0.991 4.349 1.00 0.00 C ATOM 438 CE1 HIS A 29 -11.224 -1.814 3.827 1.00 0.00 C ATOM 439 NE2 HIS A 29 -9.980 -1.677 3.403 1.00 0.00 N ATOM 0 H HIS A 29 -9.124 2.063 5.031 1.00 0.00 H new ATOM 0 HA HIS A 29 -11.407 1.505 6.838 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.809 -0.017 6.900 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -10.394 -0.513 7.461 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -8.215 -0.725 4.290 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -12.022 -2.312 3.296 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.614 -2.025 2.517 1.00 0.00 H new ATOM 448 N ILE A 30 -9.514 3.574 7.521 1.00 0.00 N ATOM 449 CA ILE A 30 -8.847 4.445 8.481 1.00 0.00 C ATOM 450 C ILE A 30 -9.237 4.087 9.911 1.00 0.00 C ATOM 451 O ILE A 30 -8.387 4.014 10.797 1.00 0.00 O ATOM 452 CB ILE A 30 -9.182 5.926 8.225 1.00 0.00 C ATOM 453 CG1 ILE A 30 -8.443 6.819 9.224 1.00 0.00 C ATOM 454 CG2 ILE A 30 -10.684 6.153 8.316 1.00 0.00 C ATOM 455 CD1 ILE A 30 -6.986 7.036 8.877 1.00 0.00 C ATOM 0 H ILE A 30 -9.887 4.056 6.703 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.775 4.296 8.351 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.854 6.188 7.219 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.944 7.786 9.275 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -8.509 6.373 10.216 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.905 7.205 8.133 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.190 5.540 7.570 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.034 5.877 9.311 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.525 7.678 9.628 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.470 6.076 8.855 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.912 7.511 7.899 1.00 0.00 H new ATOM 467 N GLY A 31 -10.529 3.862 10.128 1.00 0.00 N ATOM 468 CA GLY A 31 -11.009 3.512 11.452 1.00 0.00 C ATOM 469 C GLY A 31 -10.258 2.338 12.049 1.00 0.00 C ATOM 470 O GLY A 31 -9.823 2.391 13.200 1.00 0.00 O ATOM 0 H GLY A 31 -11.252 3.916 9.411 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.911 4.375 12.111 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -12.071 3.271 11.398 1.00 0.00 H new ATOM 474 N HIS A 32 -10.107 1.274 11.267 1.00 0.00 N ATOM 475 CA HIS A 32 -9.405 0.081 11.726 1.00 0.00 C ATOM 476 C HIS A 32 -8.427 -0.415 10.665 1.00 0.00 C ATOM 477 O HIS A 32 -8.731 -1.311 9.876 1.00 0.00 O ATOM 478 CB HIS A 32 -10.404 -1.023 12.072 1.00 0.00 C ATOM 479 CG HIS A 32 -9.792 -2.175 12.809 1.00 0.00 C ATOM 480 ND1 HIS A 32 -9.423 -2.108 14.136 1.00 0.00 N ATOM 481 CD2 HIS A 32 -9.486 -3.428 12.397 1.00 0.00 C ATOM 482 CE1 HIS A 32 -8.916 -3.270 14.508 1.00 0.00 C ATOM 483 NE2 HIS A 32 -8.943 -4.088 13.472 1.00 0.00 N ATOM 0 H HIS A 32 -10.461 1.214 10.312 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.841 0.343 12.621 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -11.206 -0.600 12.677 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -10.859 -1.391 11.153 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -9.640 -3.833 11.408 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.543 -3.510 15.493 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -8.614 -5.053 13.470 1.00 0.00 H new ATOM 492 N PRO A 33 -7.224 0.179 10.643 1.00 0.00 N ATOM 493 CA PRO A 33 -6.178 -0.187 9.684 1.00 0.00 C ATOM 494 C PRO A 33 -5.598 -1.570 9.958 1.00 0.00 C ATOM 495 O PRO A 33 -4.520 -1.698 10.540 1.00 0.00 O ATOM 496 CB PRO A 33 -5.112 0.891 9.894 1.00 0.00 C ATOM 497 CG PRO A 33 -5.316 1.358 11.294 1.00 0.00 C ATOM 498 CD PRO A 33 -6.794 1.253 11.554 1.00 0.00 C ATOM 0 HA PRO A 33 -6.559 -0.236 8.664 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.109 0.489 9.753 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.230 1.709 9.183 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.752 0.744 11.996 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.970 2.384 11.418 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -7.003 1.005 12.595 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -7.307 2.191 11.341 1.00 0.00 H new ATOM 506 N TYR A 34 -6.319 -2.603 9.536 1.00 0.00 N ATOM 507 CA TYR A 34 -5.877 -3.978 9.738 1.00 0.00 C ATOM 508 C TYR A 34 -6.115 -4.816 8.486 1.00 0.00 C ATOM 509 O TYR A 34 -7.246 -5.167 8.148 1.00 0.00 O ATOM 510 CB TYR A 34 -6.607 -4.601 10.929 1.00 0.00 C ATOM 511 CG TYR A 34 -6.086 -4.134 12.270 1.00 0.00 C ATOM 512 CD1 TYR A 34 -6.316 -2.838 12.714 1.00 0.00 C ATOM 513 CD2 TYR A 34 -5.365 -4.991 13.093 1.00 0.00 C ATOM 514 CE1 TYR A 34 -5.841 -2.408 13.938 1.00 0.00 C ATOM 515 CE2 TYR A 34 -4.887 -4.570 14.319 1.00 0.00 C ATOM 516 CZ TYR A 34 -5.128 -3.277 14.736 1.00 0.00 C ATOM 517 OH TYR A 34 -4.654 -2.853 15.957 1.00 0.00 O ATOM 0 H TYR A 34 -7.212 -2.514 9.052 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.807 -3.962 9.945 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.669 -4.364 10.858 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.518 -5.686 10.872 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.876 -2.155 12.092 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.175 -6.003 12.769 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.027 -1.397 14.268 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.328 -5.248 14.947 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.174 -3.587 16.394 1.00 0.00 H new ATOM 527 N PRO A 35 -5.023 -5.146 7.779 1.00 0.00 N ATOM 528 CA PRO A 35 -5.086 -5.948 6.554 1.00 0.00 C ATOM 529 C PRO A 35 -5.466 -7.399 6.830 1.00 0.00 C ATOM 530 O PRO A 35 -5.079 -7.971 7.849 1.00 0.00 O ATOM 531 CB PRO A 35 -3.661 -5.865 6.002 1.00 0.00 C ATOM 532 CG PRO A 35 -2.808 -5.598 7.194 1.00 0.00 C ATOM 533 CD PRO A 35 -3.644 -4.762 8.123 1.00 0.00 C ATOM 0 HA PRO A 35 -5.847 -5.581 5.865 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -3.373 -6.793 5.509 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.569 -5.069 5.263 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.505 -6.529 7.673 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -1.896 -5.073 6.911 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.417 -4.973 9.168 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.473 -3.697 7.969 1.00 0.00 H new ATOM 541 N THR A 36 -6.227 -7.991 5.914 1.00 0.00 N ATOM 542 CA THR A 36 -6.660 -9.375 6.059 1.00 0.00 C ATOM 543 C THR A 36 -5.786 -10.313 5.235 1.00 0.00 C ATOM 544 O THR A 36 -5.299 -9.944 4.167 1.00 0.00 O ATOM 545 CB THR A 36 -8.129 -9.551 5.630 1.00 0.00 C ATOM 546 OG1 THR A 36 -8.228 -9.541 4.202 1.00 0.00 O ATOM 547 CG2 THR A 36 -8.999 -8.447 6.212 1.00 0.00 C ATOM 0 H THR A 36 -6.556 -7.533 5.064 1.00 0.00 H new ATOM 0 HA THR A 36 -6.565 -9.628 7.115 1.00 0.00 H new ATOM 0 HB THR A 36 -8.483 -10.509 6.011 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.165 -9.655 3.938 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.032 -8.593 5.895 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.945 -8.477 7.300 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.644 -7.479 5.858 1.00 0.00 H new ATOM 555 N GLU A 37 -5.593 -11.529 5.738 1.00 0.00 N ATOM 556 CA GLU A 37 -4.777 -12.520 5.047 1.00 0.00 C ATOM 557 C GLU A 37 -4.897 -12.365 3.534 1.00 0.00 C ATOM 558 O GLU A 37 -3.918 -12.517 2.804 1.00 0.00 O ATOM 559 CB GLU A 37 -5.193 -13.933 5.460 1.00 0.00 C ATOM 560 CG GLU A 37 -6.338 -14.496 4.636 1.00 0.00 C ATOM 561 CD GLU A 37 -6.810 -15.847 5.139 1.00 0.00 C ATOM 562 OE1 GLU A 37 -6.886 -16.028 6.372 1.00 0.00 O ATOM 563 OE2 GLU A 37 -7.103 -16.723 4.298 1.00 0.00 O ATOM 0 H GLU A 37 -5.990 -11.851 6.621 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.737 -12.357 5.330 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.333 -14.596 5.372 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.483 -13.925 6.511 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.172 -13.795 4.653 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.021 -14.590 3.597 1.00 0.00 H new ATOM 570 N ASP A 38 -6.105 -12.061 3.071 1.00 0.00 N ATOM 571 CA ASP A 38 -6.355 -11.885 1.645 1.00 0.00 C ATOM 572 C ASP A 38 -5.707 -10.601 1.135 1.00 0.00 C ATOM 573 O ASP A 38 -4.958 -10.619 0.158 1.00 0.00 O ATOM 574 CB ASP A 38 -7.859 -11.856 1.369 1.00 0.00 C ATOM 575 CG ASP A 38 -8.524 -13.190 1.644 1.00 0.00 C ATOM 576 OD1 ASP A 38 -7.894 -14.234 1.371 1.00 0.00 O ATOM 577 OD2 ASP A 38 -9.674 -13.191 2.131 1.00 0.00 O ATOM 0 H ASP A 38 -6.926 -11.931 3.662 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.913 -12.729 1.116 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -8.324 -11.087 1.986 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.029 -11.576 0.329 1.00 0.00 H new ATOM 582 N GLU A 39 -6.001 -9.490 1.801 1.00 0.00 N ATOM 583 CA GLU A 39 -5.448 -8.198 1.413 1.00 0.00 C ATOM 584 C GLU A 39 -3.929 -8.272 1.285 1.00 0.00 C ATOM 585 O GLU A 39 -3.353 -7.800 0.305 1.00 0.00 O ATOM 586 CB GLU A 39 -5.833 -7.125 2.435 1.00 0.00 C ATOM 587 CG GLU A 39 -7.289 -6.700 2.351 1.00 0.00 C ATOM 588 CD GLU A 39 -7.557 -5.762 1.190 1.00 0.00 C ATOM 589 OE1 GLU A 39 -6.762 -4.819 0.994 1.00 0.00 O ATOM 590 OE2 GLU A 39 -8.561 -5.971 0.478 1.00 0.00 O ATOM 0 H GLU A 39 -6.619 -9.458 2.612 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.865 -7.931 0.442 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.630 -7.501 3.438 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.199 -6.251 2.288 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.917 -7.585 2.250 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.575 -6.211 3.282 1.00 0.00 H new ATOM 597 N LYS A 40 -3.286 -8.868 2.283 1.00 0.00 N ATOM 598 CA LYS A 40 -1.835 -9.007 2.284 1.00 0.00 C ATOM 599 C LYS A 40 -1.359 -9.759 1.046 1.00 0.00 C ATOM 600 O LYS A 40 -0.320 -9.435 0.470 1.00 0.00 O ATOM 601 CB LYS A 40 -1.372 -9.737 3.547 1.00 0.00 C ATOM 602 CG LYS A 40 -2.175 -9.378 4.786 1.00 0.00 C ATOM 603 CD LYS A 40 -1.320 -9.438 6.041 1.00 0.00 C ATOM 604 CE LYS A 40 -2.146 -9.816 7.260 1.00 0.00 C ATOM 605 NZ LYS A 40 -1.526 -9.327 8.523 1.00 0.00 N ATOM 0 H LYS A 40 -3.748 -9.263 3.102 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.400 -8.008 2.270 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.438 -10.812 3.380 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.322 -9.506 3.725 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.589 -8.376 4.674 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.018 -10.062 4.886 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.520 -10.165 5.903 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.847 -8.470 6.207 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.149 -9.400 7.163 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.254 -10.900 7.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.224 -10.139 9.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.701 -8.736 8.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.220 -8.764 9.055 1.00 0.00 H new ATOM 619 N LYS A 41 -2.126 -10.765 0.639 1.00 0.00 N ATOM 620 CA LYS A 41 -1.785 -11.563 -0.533 1.00 0.00 C ATOM 621 C LYS A 41 -2.027 -10.775 -1.816 1.00 0.00 C ATOM 622 O LYS A 41 -1.120 -10.604 -2.630 1.00 0.00 O ATOM 623 CB LYS A 41 -2.606 -12.854 -0.552 1.00 0.00 C ATOM 624 CG LYS A 41 -2.201 -13.848 0.522 1.00 0.00 C ATOM 625 CD LYS A 41 -3.250 -14.933 0.703 1.00 0.00 C ATOM 626 CE LYS A 41 -2.802 -15.980 1.710 1.00 0.00 C ATOM 627 NZ LYS A 41 -3.221 -15.631 3.096 1.00 0.00 N ATOM 0 H LYS A 41 -2.989 -11.047 1.104 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.726 -11.814 -0.476 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.660 -12.606 -0.427 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.503 -13.326 -1.529 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.247 -14.304 0.256 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.052 -13.324 1.466 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.186 -14.484 1.036 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.449 -15.411 -0.256 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.220 -16.949 1.437 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.717 -16.079 1.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.431 -15.801 3.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.493 -14.628 3.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.032 -16.220 3.372 1.00 0.00 H new ATOM 641 N GLN A 42 -3.255 -10.297 -1.989 1.00 0.00 N ATOM 642 CA GLN A 42 -3.614 -9.526 -3.174 1.00 0.00 C ATOM 643 C GLN A 42 -2.724 -8.295 -3.313 1.00 0.00 C ATOM 644 O GLN A 42 -2.064 -8.108 -4.336 1.00 0.00 O ATOM 645 CB GLN A 42 -5.083 -9.103 -3.107 1.00 0.00 C ATOM 646 CG GLN A 42 -6.050 -10.274 -3.034 1.00 0.00 C ATOM 647 CD GLN A 42 -7.463 -9.889 -3.427 1.00 0.00 C ATOM 648 OE1 GLN A 42 -7.670 -9.118 -4.365 1.00 0.00 O ATOM 649 NE2 GLN A 42 -8.444 -10.425 -2.711 1.00 0.00 N ATOM 0 H GLN A 42 -4.017 -10.430 -1.325 1.00 0.00 H new ATOM 0 HA GLN A 42 -3.465 -10.160 -4.048 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.230 -8.466 -2.235 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.320 -8.501 -3.984 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.699 -11.071 -3.689 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.055 -10.674 -2.020 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.227 -11.059 -1.942 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.415 -10.203 -2.930 1.00 0.00 H new ATOM 658 N ILE A 43 -2.712 -7.460 -2.280 1.00 0.00 N ATOM 659 CA ILE A 43 -1.903 -6.248 -2.288 1.00 0.00 C ATOM 660 C ILE A 43 -0.463 -6.551 -2.688 1.00 0.00 C ATOM 661 O ILE A 43 0.108 -5.878 -3.546 1.00 0.00 O ATOM 662 CB ILE A 43 -1.906 -5.560 -0.910 1.00 0.00 C ATOM 663 CG1 ILE A 43 -3.315 -5.073 -0.562 1.00 0.00 C ATOM 664 CG2 ILE A 43 -0.921 -4.401 -0.894 1.00 0.00 C ATOM 665 CD1 ILE A 43 -3.502 -4.763 0.906 1.00 0.00 C ATOM 0 H ILE A 43 -3.253 -7.601 -1.427 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.348 -5.576 -3.022 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.596 -6.285 -0.158 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.536 -4.179 -1.145 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.037 -5.833 -0.859 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.935 -3.925 0.087 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.082 -4.773 -1.103 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.203 -3.673 -1.655 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.523 -4.424 1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.313 -5.661 1.494 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.804 -3.981 1.204 1.00 0.00 H new ATOM 677 N ALA A 44 0.117 -7.570 -2.063 1.00 0.00 N ATOM 678 CA ALA A 44 1.489 -7.965 -2.357 1.00 0.00 C ATOM 679 C ALA A 44 1.752 -7.961 -3.859 1.00 0.00 C ATOM 680 O ALA A 44 2.832 -7.578 -4.308 1.00 0.00 O ATOM 681 CB ALA A 44 1.779 -9.340 -1.773 1.00 0.00 C ATOM 0 H ALA A 44 -0.342 -8.137 -1.350 1.00 0.00 H new ATOM 0 HA ALA A 44 2.157 -7.237 -1.896 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.807 -9.622 -2.000 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.641 -9.313 -0.692 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.097 -10.071 -2.208 1.00 0.00 H new ATOM 687 N ALA A 45 0.758 -8.388 -4.630 1.00 0.00 N ATOM 688 CA ALA A 45 0.882 -8.432 -6.082 1.00 0.00 C ATOM 689 C ALA A 45 0.808 -7.032 -6.682 1.00 0.00 C ATOM 690 O ALA A 45 1.776 -6.546 -7.266 1.00 0.00 O ATOM 691 CB ALA A 45 -0.200 -9.321 -6.678 1.00 0.00 C ATOM 0 H ALA A 45 -0.142 -8.709 -4.274 1.00 0.00 H new ATOM 0 HA ALA A 45 1.858 -8.853 -6.326 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.095 -9.344 -7.763 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.100 -10.332 -6.282 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.181 -8.925 -6.417 1.00 0.00 H new ATOM 697 N GLN A 46 -0.346 -6.390 -6.534 1.00 0.00 N ATOM 698 CA GLN A 46 -0.546 -5.046 -7.063 1.00 0.00 C ATOM 699 C GLN A 46 0.647 -4.151 -6.740 1.00 0.00 C ATOM 700 O GLN A 46 1.056 -3.325 -7.556 1.00 0.00 O ATOM 701 CB GLN A 46 -1.826 -4.435 -6.491 1.00 0.00 C ATOM 702 CG GLN A 46 -3.061 -5.294 -6.709 1.00 0.00 C ATOM 703 CD GLN A 46 -4.334 -4.476 -6.798 1.00 0.00 C ATOM 704 OE1 GLN A 46 -5.131 -4.443 -5.861 1.00 0.00 O ATOM 705 NE2 GLN A 46 -4.531 -3.809 -7.930 1.00 0.00 N ATOM 0 H GLN A 46 -1.157 -6.779 -6.052 1.00 0.00 H new ATOM 0 HA GLN A 46 -0.640 -5.119 -8.146 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.693 -4.269 -5.422 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.988 -3.458 -6.947 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.940 -5.871 -7.626 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -3.150 -6.009 -5.891 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.843 -3.865 -8.681 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -5.370 -3.241 -8.048 1.00 0.00 H new ATOM 714 N THR A 47 1.201 -4.321 -5.543 1.00 0.00 N ATOM 715 CA THR A 47 2.346 -3.529 -5.112 1.00 0.00 C ATOM 716 C THR A 47 3.655 -4.258 -5.389 1.00 0.00 C ATOM 717 O THR A 47 4.730 -3.661 -5.344 1.00 0.00 O ATOM 718 CB THR A 47 2.264 -3.196 -3.610 1.00 0.00 C ATOM 719 OG1 THR A 47 2.434 -4.388 -2.834 1.00 0.00 O ATOM 720 CG2 THR A 47 0.930 -2.549 -3.271 1.00 0.00 C ATOM 0 H THR A 47 0.875 -5.000 -4.855 1.00 0.00 H new ATOM 0 HA THR A 47 2.323 -2.602 -5.684 1.00 0.00 H new ATOM 0 HB THR A 47 3.061 -2.492 -3.372 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.680 -4.993 -2.995 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.896 -2.323 -2.205 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.818 -1.627 -3.841 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.119 -3.233 -3.523 1.00 0.00 H new ATOM 728 N ASN A 48 3.557 -5.552 -5.676 1.00 0.00 N ATOM 729 CA ASN A 48 4.736 -6.363 -5.961 1.00 0.00 C ATOM 730 C ASN A 48 5.624 -6.483 -4.727 1.00 0.00 C ATOM 731 O ASN A 48 6.850 -6.541 -4.834 1.00 0.00 O ATOM 732 CB ASN A 48 5.531 -5.756 -7.119 1.00 0.00 C ATOM 733 CG ASN A 48 6.607 -6.691 -7.635 1.00 0.00 C ATOM 734 OD1 ASN A 48 6.943 -7.684 -6.989 1.00 0.00 O ATOM 735 ND2 ASN A 48 7.153 -6.377 -8.804 1.00 0.00 N ATOM 0 H ASN A 48 2.674 -6.061 -5.717 1.00 0.00 H new ATOM 0 HA ASN A 48 4.401 -7.361 -6.244 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.850 -5.507 -7.932 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.991 -4.824 -6.791 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.882 -6.969 -9.202 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.843 -5.544 -9.304 1.00 0.00 H new ATOM 742 N LEU A 49 4.999 -6.521 -3.556 1.00 0.00 N ATOM 743 CA LEU A 49 5.732 -6.636 -2.300 1.00 0.00 C ATOM 744 C LEU A 49 5.429 -7.962 -1.611 1.00 0.00 C ATOM 745 O LEU A 49 4.389 -8.576 -1.852 1.00 0.00 O ATOM 746 CB LEU A 49 5.378 -5.473 -1.372 1.00 0.00 C ATOM 747 CG LEU A 49 5.490 -4.073 -1.977 1.00 0.00 C ATOM 748 CD1 LEU A 49 4.997 -3.025 -0.991 1.00 0.00 C ATOM 749 CD2 LEU A 49 6.926 -3.785 -2.391 1.00 0.00 C ATOM 0 H LEU A 49 3.986 -6.474 -3.450 1.00 0.00 H new ATOM 0 HA LEU A 49 6.798 -6.601 -2.526 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.356 -5.614 -1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.027 -5.522 -0.497 1.00 0.00 H new ATOM 0 HG LEU A 49 4.861 -4.030 -2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.084 -2.035 -1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.954 -3.221 -0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.599 -3.067 -0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.987 -2.785 -2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.576 -3.846 -1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.245 -4.518 -3.133 1.00 0.00 H new ATOM 761 N THR A 50 6.343 -8.399 -0.750 1.00 0.00 N ATOM 762 CA THR A 50 6.173 -9.652 -0.025 1.00 0.00 C ATOM 763 C THR A 50 5.338 -9.449 1.235 1.00 0.00 C ATOM 764 O THR A 50 5.422 -8.407 1.886 1.00 0.00 O ATOM 765 CB THR A 50 7.531 -10.263 0.366 1.00 0.00 C ATOM 766 OG1 THR A 50 8.353 -9.272 0.993 1.00 0.00 O ATOM 767 CG2 THR A 50 8.245 -10.821 -0.856 1.00 0.00 C ATOM 0 H THR A 50 7.209 -7.903 -0.538 1.00 0.00 H new ATOM 0 HA THR A 50 5.654 -10.337 -0.695 1.00 0.00 H new ATOM 0 HB THR A 50 7.349 -11.079 1.066 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.214 -9.670 1.240 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.202 -11.247 -0.555 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.630 -11.596 -1.314 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.415 -10.020 -1.575 1.00 0.00 H new ATOM 775 N LEU A 51 4.534 -10.451 1.573 1.00 0.00 N ATOM 776 CA LEU A 51 3.684 -10.383 2.757 1.00 0.00 C ATOM 777 C LEU A 51 4.370 -9.605 3.876 1.00 0.00 C ATOM 778 O LEU A 51 3.734 -8.821 4.582 1.00 0.00 O ATOM 779 CB LEU A 51 3.334 -11.791 3.239 1.00 0.00 C ATOM 780 CG LEU A 51 2.062 -12.405 2.653 1.00 0.00 C ATOM 781 CD1 LEU A 51 0.842 -11.590 3.054 1.00 0.00 C ATOM 782 CD2 LEU A 51 2.165 -12.501 1.138 1.00 0.00 C ATOM 0 H LEU A 51 4.453 -11.320 1.045 1.00 0.00 H new ATOM 0 HA LEU A 51 2.767 -9.860 2.486 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.171 -12.450 3.009 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.235 -11.768 4.324 1.00 0.00 H new ATOM 0 HG LEU A 51 1.950 -13.412 3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.054 -12.042 2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.758 -11.572 4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.947 -10.571 2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.251 -12.940 0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.302 -11.504 0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.016 -13.127 0.870 1.00 0.00 H new ATOM 794 N LEU A 52 5.670 -9.827 4.032 1.00 0.00 N ATOM 795 CA LEU A 52 6.444 -9.145 5.064 1.00 0.00 C ATOM 796 C LEU A 52 6.486 -7.642 4.810 1.00 0.00 C ATOM 797 O LEU A 52 6.114 -6.847 5.672 1.00 0.00 O ATOM 798 CB LEU A 52 7.866 -9.705 5.116 1.00 0.00 C ATOM 799 CG LEU A 52 8.680 -9.356 6.362 1.00 0.00 C ATOM 800 CD1 LEU A 52 8.368 -10.324 7.493 1.00 0.00 C ATOM 801 CD2 LEU A 52 10.169 -9.364 6.046 1.00 0.00 C ATOM 0 H LEU A 52 6.211 -10.474 3.458 1.00 0.00 H new ATOM 0 HA LEU A 52 5.956 -9.319 6.023 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.811 -10.791 5.035 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.408 -9.347 4.241 1.00 0.00 H new ATOM 0 HG LEU A 52 8.402 -8.352 6.684 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.957 -10.059 8.371 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.307 -10.268 7.737 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.616 -11.339 7.182 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.733 -9.113 6.944 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.462 -10.355 5.698 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.380 -8.630 5.269 1.00 0.00 H new ATOM 813 N GLN A 53 6.940 -7.261 3.620 1.00 0.00 N ATOM 814 CA GLN A 53 7.029 -5.852 3.252 1.00 0.00 C ATOM 815 C GLN A 53 5.691 -5.150 3.460 1.00 0.00 C ATOM 816 O GLN A 53 5.591 -4.198 4.233 1.00 0.00 O ATOM 817 CB GLN A 53 7.472 -5.711 1.795 1.00 0.00 C ATOM 818 CG GLN A 53 8.906 -6.153 1.550 1.00 0.00 C ATOM 819 CD GLN A 53 9.310 -6.040 0.093 1.00 0.00 C ATOM 820 OE1 GLN A 53 8.764 -6.727 -0.770 1.00 0.00 O ATOM 821 NE2 GLN A 53 10.272 -5.168 -0.188 1.00 0.00 N ATOM 0 H GLN A 53 7.252 -7.907 2.895 1.00 0.00 H new ATOM 0 HA GLN A 53 7.770 -5.380 3.897 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.806 -6.299 1.163 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.364 -4.670 1.490 1.00 0.00 H new ATOM 0 HG2 GLN A 53 9.578 -5.547 2.158 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.025 -7.186 1.877 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.697 -4.619 0.559 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.586 -5.047 -1.151 1.00 0.00 H new ATOM 830 N VAL A 54 4.664 -5.627 2.763 1.00 0.00 N ATOM 831 CA VAL A 54 3.331 -5.046 2.872 1.00 0.00 C ATOM 832 C VAL A 54 2.941 -4.834 4.330 1.00 0.00 C ATOM 833 O VAL A 54 2.356 -3.811 4.684 1.00 0.00 O ATOM 834 CB VAL A 54 2.273 -5.936 2.192 1.00 0.00 C ATOM 835 CG1 VAL A 54 0.884 -5.344 2.369 1.00 0.00 C ATOM 836 CG2 VAL A 54 2.600 -6.120 0.718 1.00 0.00 C ATOM 0 H VAL A 54 4.730 -6.414 2.117 1.00 0.00 H new ATOM 0 HA VAL A 54 3.364 -4.082 2.365 1.00 0.00 H new ATOM 0 HB VAL A 54 2.287 -6.916 2.669 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.150 -5.986 1.882 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.653 -5.270 3.432 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.852 -4.351 1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.843 -6.751 0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.615 -5.148 0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.577 -6.593 0.618 1.00 0.00 H new ATOM 846 N ASN A 55 3.269 -5.808 5.172 1.00 0.00 N ATOM 847 CA ASN A 55 2.953 -5.729 6.594 1.00 0.00 C ATOM 848 C ASN A 55 3.734 -4.602 7.263 1.00 0.00 C ATOM 849 O ASN A 55 3.151 -3.710 7.879 1.00 0.00 O ATOM 850 CB ASN A 55 3.265 -7.059 7.282 1.00 0.00 C ATOM 851 CG ASN A 55 2.079 -8.005 7.276 1.00 0.00 C ATOM 852 OD1 ASN A 55 0.935 -7.586 7.450 1.00 0.00 O ATOM 853 ND2 ASN A 55 2.349 -9.290 7.074 1.00 0.00 N ATOM 0 H ASN A 55 3.754 -6.662 4.895 1.00 0.00 H new ATOM 0 HA ASN A 55 1.888 -5.518 6.693 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.108 -7.535 6.782 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.570 -6.870 8.311 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.592 -9.974 7.059 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.313 -9.593 6.934 1.00 0.00 H new ATOM 860 N ASN A 56 5.056 -4.649 7.136 1.00 0.00 N ATOM 861 CA ASN A 56 5.917 -3.632 7.728 1.00 0.00 C ATOM 862 C ASN A 56 5.399 -2.231 7.416 1.00 0.00 C ATOM 863 O ASN A 56 5.073 -1.464 8.322 1.00 0.00 O ATOM 864 CB ASN A 56 7.350 -3.784 7.213 1.00 0.00 C ATOM 865 CG ASN A 56 8.139 -4.815 7.996 1.00 0.00 C ATOM 866 OD1 ASN A 56 9.080 -4.478 8.715 1.00 0.00 O ATOM 867 ND2 ASN A 56 7.759 -6.080 7.859 1.00 0.00 N ATOM 0 H ASN A 56 5.554 -5.380 6.629 1.00 0.00 H new ATOM 0 HA ASN A 56 5.910 -3.771 8.809 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.327 -4.070 6.161 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.858 -2.821 7.270 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.253 -6.818 8.361 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.973 -6.314 7.252 1.00 0.00 H new ATOM 874 N TRP A 57 5.326 -1.906 6.131 1.00 0.00 N ATOM 875 CA TRP A 57 4.847 -0.598 5.700 1.00 0.00 C ATOM 876 C TRP A 57 3.569 -0.215 6.439 1.00 0.00 C ATOM 877 O TRP A 57 3.496 0.843 7.064 1.00 0.00 O ATOM 878 CB TRP A 57 4.597 -0.596 4.190 1.00 0.00 C ATOM 879 CG TRP A 57 4.244 0.757 3.649 1.00 0.00 C ATOM 880 CD1 TRP A 57 5.097 1.662 3.086 1.00 0.00 C ATOM 881 CD2 TRP A 57 2.944 1.356 3.622 1.00 0.00 C ATOM 882 NE1 TRP A 57 4.406 2.789 2.710 1.00 0.00 N ATOM 883 CE2 TRP A 57 3.083 2.625 3.027 1.00 0.00 C ATOM 884 CE3 TRP A 57 1.676 0.943 4.039 1.00 0.00 C ATOM 885 CZ2 TRP A 57 2.002 3.483 2.842 1.00 0.00 C ATOM 886 CZ3 TRP A 57 0.604 1.796 3.856 1.00 0.00 C ATOM 887 CH2 TRP A 57 0.772 3.053 3.261 1.00 0.00 C ATOM 0 H TRP A 57 5.592 -2.530 5.369 1.00 0.00 H new ATOM 0 HA TRP A 57 5.615 0.138 5.936 1.00 0.00 H new ATOM 0 HB2 TRP A 57 5.488 -0.962 3.681 1.00 0.00 H new ATOM 0 HB3 TRP A 57 3.791 -1.293 3.961 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.159 1.514 2.955 1.00 0.00 H new ATOM 0 HE1 TRP A 57 4.812 3.613 2.267 1.00 0.00 H new ATOM 0 HE3 TRP A 57 1.536 -0.025 4.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 2.130 4.453 2.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -0.380 1.488 4.177 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -0.086 3.696 3.130 1.00 0.00 H new ATOM 898 N PHE A 58 2.565 -1.082 6.364 1.00 0.00 N ATOM 899 CA PHE A 58 1.290 -0.834 7.026 1.00 0.00 C ATOM 900 C PHE A 58 1.501 -0.452 8.488 1.00 0.00 C ATOM 901 O PHE A 58 1.095 0.625 8.925 1.00 0.00 O ATOM 902 CB PHE A 58 0.394 -2.071 6.934 1.00 0.00 C ATOM 903 CG PHE A 58 -0.469 -2.096 5.706 1.00 0.00 C ATOM 904 CD1 PHE A 58 -1.168 -0.967 5.311 1.00 0.00 C ATOM 905 CD2 PHE A 58 -0.581 -3.249 4.945 1.00 0.00 C ATOM 906 CE1 PHE A 58 -1.964 -0.988 4.181 1.00 0.00 C ATOM 907 CE2 PHE A 58 -1.375 -3.276 3.814 1.00 0.00 C ATOM 908 CZ PHE A 58 -2.066 -2.143 3.431 1.00 0.00 C ATOM 0 H PHE A 58 2.610 -1.963 5.851 1.00 0.00 H new ATOM 0 HA PHE A 58 0.802 -0.002 6.519 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.019 -2.964 6.947 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.243 -2.115 7.817 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.090 -0.060 5.892 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.041 -4.137 5.239 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.506 -0.102 3.885 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.455 -4.181 3.231 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.685 -2.160 2.546 1.00 0.00 H new ATOM 918 N ILE A 59 2.139 -1.344 9.240 1.00 0.00 N ATOM 919 CA ILE A 59 2.405 -1.101 10.652 1.00 0.00 C ATOM 920 C ILE A 59 2.953 0.305 10.875 1.00 0.00 C ATOM 921 O ILE A 59 2.666 0.940 11.888 1.00 0.00 O ATOM 922 CB ILE A 59 3.404 -2.125 11.221 1.00 0.00 C ATOM 923 CG1 ILE A 59 2.803 -3.532 11.184 1.00 0.00 C ATOM 924 CG2 ILE A 59 3.798 -1.749 12.641 1.00 0.00 C ATOM 925 CD1 ILE A 59 3.834 -4.625 11.005 1.00 0.00 C ATOM 0 H ILE A 59 2.481 -2.241 8.894 1.00 0.00 H new ATOM 0 HA ILE A 59 1.454 -1.205 11.174 1.00 0.00 H new ATOM 0 HB ILE A 59 4.301 -2.117 10.602 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.255 -3.709 12.109 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.080 -3.588 10.370 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.505 -2.483 13.029 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.262 -0.763 12.641 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.910 -1.732 13.273 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.337 -5.595 10.988 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.366 -4.473 10.066 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.543 -4.595 11.832 1.00 0.00 H new ATOM 937 N ASN A 60 3.741 0.785 9.918 1.00 0.00 N ATOM 938 CA ASN A 60 4.328 2.117 10.009 1.00 0.00 C ATOM 939 C ASN A 60 3.305 3.188 9.646 1.00 0.00 C ATOM 940 O ASN A 60 3.263 4.254 10.259 1.00 0.00 O ATOM 941 CB ASN A 60 5.545 2.224 9.088 1.00 0.00 C ATOM 942 CG ASN A 60 6.837 1.852 9.790 1.00 0.00 C ATOM 943 OD1 ASN A 60 6.978 2.048 10.997 1.00 0.00 O ATOM 944 ND2 ASN A 60 7.787 1.313 9.035 1.00 0.00 N ATOM 0 H ASN A 60 3.987 0.272 9.072 1.00 0.00 H new ATOM 0 HA ASN A 60 4.645 2.278 11.039 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.403 1.573 8.226 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.621 3.243 8.709 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.678 1.043 9.452 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.626 1.169 8.038 1.00 0.00 H new ATOM 951 N ALA A 61 2.481 2.897 8.644 1.00 0.00 N ATOM 952 CA ALA A 61 1.457 3.833 8.201 1.00 0.00 C ATOM 953 C ALA A 61 0.443 4.103 9.308 1.00 0.00 C ATOM 954 O ALA A 61 -0.180 5.164 9.347 1.00 0.00 O ATOM 955 CB ALA A 61 0.756 3.301 6.960 1.00 0.00 C ATOM 0 H ALA A 61 2.504 2.020 8.124 1.00 0.00 H new ATOM 0 HA ALA A 61 1.945 4.776 7.953 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.007 4.011 6.640 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.484 3.166 6.160 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.287 2.344 7.189 1.00 0.00 H new ATOM 961 N ARG A 62 0.282 3.136 10.205 1.00 0.00 N ATOM 962 CA ARG A 62 -0.657 3.268 11.312 1.00 0.00 C ATOM 963 C ARG A 62 -0.028 4.038 12.470 1.00 0.00 C ATOM 964 O ARG A 62 -0.712 4.771 13.184 1.00 0.00 O ATOM 965 CB ARG A 62 -1.113 1.889 11.790 1.00 0.00 C ATOM 966 CG ARG A 62 -1.627 0.996 10.672 1.00 0.00 C ATOM 967 CD ARG A 62 -2.079 -0.356 11.202 1.00 0.00 C ATOM 968 NE ARG A 62 -1.919 -1.415 10.208 1.00 0.00 N ATOM 969 CZ ARG A 62 -1.784 -2.699 10.519 1.00 0.00 C ATOM 970 NH1 ARG A 62 -1.791 -3.082 11.788 1.00 0.00 N ATOM 971 NH2 ARG A 62 -1.643 -3.604 9.558 1.00 0.00 N ATOM 0 H ARG A 62 0.790 2.252 10.187 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.523 3.825 10.956 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.280 1.392 12.286 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.899 2.014 12.535 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.459 1.486 10.166 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.842 0.853 9.929 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.505 -0.606 12.094 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.125 -0.296 11.503 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.911 -1.154 9.222 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.900 -2.390 12.529 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.687 -4.069 12.023 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.638 -3.313 8.580 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.539 -4.590 9.797 1.00 0.00 H new ATOM 985 N ARG A 63 1.277 3.864 12.649 1.00 0.00 N ATOM 986 CA ARG A 63 1.997 4.540 13.722 1.00 0.00 C ATOM 987 C ARG A 63 2.340 5.973 13.327 1.00 0.00 C ATOM 988 O ARG A 63 2.505 6.841 14.184 1.00 0.00 O ATOM 989 CB ARG A 63 3.276 3.775 14.067 1.00 0.00 C ATOM 990 CG ARG A 63 3.032 2.515 14.881 1.00 0.00 C ATOM 991 CD ARG A 63 4.151 1.503 14.691 1.00 0.00 C ATOM 992 NE ARG A 63 5.433 2.008 15.175 1.00 0.00 N ATOM 993 CZ ARG A 63 6.516 1.251 15.314 1.00 0.00 C ATOM 994 NH1 ARG A 63 6.471 -0.038 15.006 1.00 0.00 N ATOM 995 NH2 ARG A 63 7.646 1.783 15.760 1.00 0.00 N ATOM 0 H ARG A 63 1.857 3.261 12.066 1.00 0.00 H new ATOM 0 HA ARG A 63 1.350 4.568 14.599 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.789 3.507 13.143 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.944 4.433 14.623 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.949 2.773 15.937 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.082 2.068 14.586 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.901 0.583 15.219 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.236 1.251 13.634 1.00 0.00 H new ATOM 0 HE ARG A 63 5.501 2.996 15.420 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.604 -0.450 14.662 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.304 -0.617 15.113 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.684 2.774 15.997 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.477 1.201 15.866 1.00 0.00 H new ATOM 1009 N ARG A 64 2.445 6.213 12.024 1.00 0.00 N ATOM 1010 CA ARG A 64 2.770 7.541 11.515 1.00 0.00 C ATOM 1011 C ARG A 64 1.523 8.418 11.451 1.00 0.00 C ATOM 1012 O ARG A 64 1.611 9.644 11.524 1.00 0.00 O ATOM 1013 CB ARG A 64 3.406 7.437 10.128 1.00 0.00 C ATOM 1014 CG ARG A 64 2.458 6.916 9.061 1.00 0.00 C ATOM 1015 CD ARG A 64 1.702 8.049 8.385 1.00 0.00 C ATOM 1016 NE ARG A 64 2.600 8.968 7.691 1.00 0.00 N ATOM 1017 CZ ARG A 64 3.044 8.768 6.455 1.00 0.00 C ATOM 1018 NH1 ARG A 64 2.676 7.687 5.781 1.00 0.00 N ATOM 1019 NH2 ARG A 64 3.859 9.650 5.890 1.00 0.00 N ATOM 0 H ARG A 64 2.310 5.506 11.302 1.00 0.00 H new ATOM 0 HA ARG A 64 3.482 8.001 12.200 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.770 8.420 9.830 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.273 6.779 10.184 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.021 6.357 8.314 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.749 6.222 9.511 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.987 7.635 7.674 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.128 8.598 9.131 1.00 0.00 H new ATOM 0 HE ARG A 64 2.903 9.809 8.182 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.050 7.006 6.211 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.019 7.536 4.832 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.145 10.483 6.405 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.199 9.495 4.941 1.00 0.00 H new ATOM 1033 N ILE A 65 0.365 7.782 11.313 1.00 0.00 N ATOM 1034 CA ILE A 65 -0.899 8.505 11.240 1.00 0.00 C ATOM 1035 C ILE A 65 -1.386 8.903 12.629 1.00 0.00 C ATOM 1036 O ILE A 65 -1.840 10.028 12.841 1.00 0.00 O ATOM 1037 CB ILE A 65 -1.988 7.665 10.547 1.00 0.00 C ATOM 1038 CG1 ILE A 65 -2.150 6.317 11.253 1.00 0.00 C ATOM 1039 CG2 ILE A 65 -1.646 7.462 9.078 1.00 0.00 C ATOM 1040 CD1 ILE A 65 -3.243 5.453 10.664 1.00 0.00 C ATOM 0 H ILE A 65 0.275 6.768 11.249 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.715 9.404 10.651 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.934 8.202 10.609 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.205 5.776 11.206 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.365 6.492 12.307 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.425 6.867 8.602 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.577 8.431 8.583 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.691 6.943 8.995 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.301 4.514 11.214 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.197 5.975 10.736 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.020 5.247 9.617 1.00 0.00 H new ATOM 1052 N LEU A 66 -1.288 7.973 13.573 1.00 0.00 N ATOM 1053 CA LEU A 66 -1.717 8.227 14.944 1.00 0.00 C ATOM 1054 C LEU A 66 -0.763 9.189 15.644 1.00 0.00 C ATOM 1055 O LEU A 66 -1.194 10.117 16.328 1.00 0.00 O ATOM 1056 CB LEU A 66 -1.800 6.915 15.724 1.00 0.00 C ATOM 1057 CG LEU A 66 -3.159 6.214 15.717 1.00 0.00 C ATOM 1058 CD1 LEU A 66 -3.554 5.830 14.300 1.00 0.00 C ATOM 1059 CD2 LEU A 66 -3.131 4.986 16.616 1.00 0.00 C ATOM 0 H LEU A 66 -0.915 7.037 13.414 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.705 8.686 14.910 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.057 6.228 15.319 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.521 7.113 16.759 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.905 6.907 16.105 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.524 5.332 14.315 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.616 6.727 13.684 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.806 5.155 13.884 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.107 4.500 16.599 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.372 4.290 16.258 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.894 5.287 17.636 1.00 0.00 H new ATOM 1071 N GLN A 67 0.534 8.962 15.465 1.00 0.00 N ATOM 1072 CA GLN A 67 1.549 9.810 16.079 1.00 0.00 C ATOM 1073 C GLN A 67 2.122 10.795 15.065 1.00 0.00 C ATOM 1074 O GLN A 67 2.804 10.401 14.120 1.00 0.00 O ATOM 1075 CB GLN A 67 2.673 8.954 16.666 1.00 0.00 C ATOM 1076 CG GLN A 67 3.456 9.650 17.767 1.00 0.00 C ATOM 1077 CD GLN A 67 4.074 8.674 18.750 1.00 0.00 C ATOM 1078 OE1 GLN A 67 4.334 7.518 18.415 1.00 0.00 O ATOM 1079 NE2 GLN A 67 4.312 9.136 19.972 1.00 0.00 N ATOM 0 H GLN A 67 0.907 8.199 14.900 1.00 0.00 H new ATOM 0 HA GLN A 67 1.076 10.376 16.881 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.247 8.032 17.062 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.358 8.672 15.867 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.243 10.257 17.320 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.795 10.330 18.303 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.081 10.101 20.206 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.726 8.525 20.676 1.00 0.00 H new ATOM 1088 N SER A 68 1.838 12.078 15.268 1.00 0.00 N ATOM 1089 CA SER A 68 2.321 13.119 14.369 1.00 0.00 C ATOM 1090 C SER A 68 3.522 13.842 14.971 1.00 0.00 C ATOM 1091 O SER A 68 3.456 14.360 16.084 1.00 0.00 O ATOM 1092 CB SER A 68 1.205 14.122 14.070 1.00 0.00 C ATOM 1093 OG SER A 68 0.388 13.673 13.003 1.00 0.00 O ATOM 0 H SER A 68 1.276 12.421 16.047 1.00 0.00 H new ATOM 0 HA SER A 68 2.633 12.645 13.438 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.596 14.269 14.962 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.639 15.089 13.817 1.00 0.00 H new ATOM 0 HG SER A 68 -0.318 14.331 12.833 1.00 0.00 H new ATOM 1099 N GLY A 69 4.622 13.872 14.224 1.00 0.00 N ATOM 1100 CA GLY A 69 5.824 14.533 14.699 1.00 0.00 C ATOM 1101 C GLY A 69 6.796 14.843 13.578 1.00 0.00 C ATOM 1102 O GLY A 69 6.926 15.986 13.139 1.00 0.00 O ATOM 0 H GLY A 69 4.702 13.450 13.299 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.550 15.459 15.205 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.316 13.900 15.437 1.00 0.00 H new ATOM 1106 N PRO A 70 7.502 13.809 13.098 1.00 0.00 N ATOM 1107 CA PRO A 70 8.481 13.952 12.017 1.00 0.00 C ATOM 1108 C PRO A 70 7.822 14.252 10.674 1.00 0.00 C ATOM 1109 O PRO A 70 8.499 14.573 9.698 1.00 0.00 O ATOM 1110 CB PRO A 70 9.172 12.587 11.980 1.00 0.00 C ATOM 1111 CG PRO A 70 8.170 11.640 12.545 1.00 0.00 C ATOM 1112 CD PRO A 70 7.398 12.419 13.574 1.00 0.00 C ATOM 0 HA PRO A 70 9.162 14.785 12.192 1.00 0.00 H new ATOM 0 HB2 PRO A 70 9.448 12.311 10.962 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.089 12.591 12.569 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.509 11.261 11.766 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.660 10.777 12.996 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.360 12.090 13.632 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.825 12.302 14.570 1.00 0.00 H new ATOM 1120 N SER A 71 6.498 14.145 10.633 1.00 0.00 N ATOM 1121 CA SER A 71 5.748 14.401 9.409 1.00 0.00 C ATOM 1122 C SER A 71 4.535 15.283 9.690 1.00 0.00 C ATOM 1123 O SER A 71 3.572 14.849 10.322 1.00 0.00 O ATOM 1124 CB SER A 71 5.299 13.083 8.775 1.00 0.00 C ATOM 1125 OG SER A 71 4.581 13.313 7.575 1.00 0.00 O ATOM 0 H SER A 71 5.922 13.883 11.433 1.00 0.00 H new ATOM 0 HA SER A 71 6.403 14.925 8.713 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.169 12.460 8.568 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.673 12.533 9.477 1.00 0.00 H new ATOM 0 HG SER A 71 4.306 12.455 7.189 1.00 0.00 H new ATOM 1131 N SER A 72 4.590 16.523 9.215 1.00 0.00 N ATOM 1132 CA SER A 72 3.498 17.468 9.418 1.00 0.00 C ATOM 1133 C SER A 72 2.192 16.919 8.851 1.00 0.00 C ATOM 1134 O SER A 72 2.019 16.830 7.636 1.00 0.00 O ATOM 1135 CB SER A 72 3.828 18.810 8.761 1.00 0.00 C ATOM 1136 OG SER A 72 3.974 18.669 7.359 1.00 0.00 O ATOM 0 H SER A 72 5.379 16.897 8.687 1.00 0.00 H new ATOM 0 HA SER A 72 3.374 17.617 10.491 1.00 0.00 H new ATOM 0 HB2 SER A 72 3.037 19.528 8.977 1.00 0.00 H new ATOM 0 HB3 SER A 72 4.748 19.211 9.187 1.00 0.00 H new ATOM 0 HG SER A 72 3.335 18.003 7.029 1.00 0.00 H new ATOM 1142 N GLY A 73 1.275 16.553 9.741 1.00 0.00 N ATOM 1143 CA GLY A 73 -0.004 16.017 9.312 1.00 0.00 C ATOM 1144 C GLY A 73 -1.091 16.207 10.351 1.00 0.00 C ATOM 1145 O GLY A 73 -0.839 16.740 11.432 1.00 0.00 O ATOM 0 H GLY A 73 1.395 16.618 10.752 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.305 16.502 8.383 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.105 14.954 9.095 1.00 0.00 H new TER 1149 GLY A 73