USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 640 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 58 HIS : no HD1:sc= -3.27! K(o=-6.5!,f=-1.1) USER MOD Set 1.2: A 70 SER OG : rot 180:sc= -3.26! USER MOD Set 2.1: A 60 CYS SG : rot 126:sc= -0.865 USER MOD Set 2.2: A 63 CYS SG : rot -45:sc= -0.117 USER MOD Set 2.3: A 76 HIS : no HE2:sc= -3.15! C(o=-8!,f=-11!) USER MOD Set 2.4: A 80 HIS : no HE2:sc= -3.85! C(o=-8!,f=-10!) USER MOD Set 3.1: A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 69 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Set 4.1: A 32 CYS SG : rot 126:sc= -2.93! USER MOD Set 4.2: A 35 CYS SG : rot -26:sc= 0.305 USER MOD Set 4.3: A 48 HIS : no HE2:sc= -3.48! C(o=-9.2!,f=-14!) USER MOD Set 4.4: A 52 HIS : no HE2:sc= -3.06! C(o=-9.2!,f=-11!) USER MOD Set 5.1: A 4 CYS SG : rot 153:sc= 1.16 USER MOD Set 5.2: A 7 CYS SG : rot -36:sc= 0.19 USER MOD Set 5.3: A 20 HIS : no HE2:sc= -4.97! C(o=-6!,f=-8.2!) USER MOD Set 5.4: A 24 HIS : no HE2:sc= -2.39 K(o=-6,f=-7.4!) USER MOD Single : A 5 LYS NZ :NH3+ 159:sc= -0.0543 (180deg=-0.412) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= -0.382 USER MOD Single : A 12 LYS NZ :NH3+ 166:sc= -5.81! (180deg=-6.51!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 70:sc= -2.5! USER MOD Single : A 18 SER OG : rot -62:sc= -0.33 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -162:sc= -0.201 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0095 K(o=-0.0095,f=-1.6!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 155:sc= -0.0925 (180deg=-0.568) USER MOD Single : A 40 HIS : no HD1:sc= -2.22! C(o=-2.2!,f=-7.1!) USER MOD Single : A 41 GLN : amide:sc= -0.132 K(o=-0.13,f=-1.3!) USER MOD Single : A 42 LYS NZ :NH3+ 155:sc= -0.0548 (180deg=-0.46) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 177:sc= 0 (180deg=-0.00761) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 7:sc= -3.17! USER MOD Single : A 53 THR OG1 : rot -154:sc= -1.79! USER MOD Single : A 56 LYS NZ :NH3+ 159:sc=-0.00062 (180deg=-0.424) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 65 LYS NZ :NH3+ 157:sc= -0.0455 (180deg=-0.356) USER MOD Single : A 68 SER OG : rot 180:sc= -0.0239 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.0728 K(o=-0.073,f=-1.2!) USER MOD Single : A 75 THR OG1 : rot 79:sc= -0.0611 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 176:sc= -0.312 (180deg=-0.331) USER MOD Single : A 81 THR OG1 : rot 74:sc= 0.917 USER MOD ----------------------------------------------------------------- ATOM 14 N PHE A 2 -11.880 -6.772 37.123 1.00 70.07 N ATOM 15 CA PHE A 2 -12.809 -5.616 36.981 1.00 70.07 C ATOM 16 C PHE A 2 -13.531 -5.739 35.644 1.00 70.07 C ATOM 17 O PHE A 2 -12.922 -5.784 34.592 1.00 70.07 O ATOM 18 CB PHE A 2 -12.013 -4.307 37.048 1.00 70.07 C ATOM 19 CG PHE A 2 -10.844 -4.489 37.984 1.00 70.07 C ATOM 20 CD1 PHE A 2 -11.022 -4.349 39.364 1.00 70.07 C ATOM 21 CD2 PHE A 2 -9.585 -4.812 37.471 1.00 70.07 C ATOM 22 CE1 PHE A 2 -9.939 -4.536 40.231 1.00 70.07 C ATOM 23 CE2 PHE A 2 -8.504 -4.997 38.336 1.00 70.07 C ATOM 24 CZ PHE A 2 -8.679 -4.861 39.716 1.00 70.07 C ATOM 0 HA PHE A 2 -13.541 -5.613 37.789 1.00 70.07 H new ATOM 0 HB2 PHE A 2 -11.660 -4.030 36.055 1.00 70.07 H new ATOM 0 HB3 PHE A 2 -12.652 -3.496 37.397 1.00 70.07 H new ATOM 0 HD1 PHE A 2 -11.994 -4.097 39.761 1.00 70.07 H new ATOM 0 HD2 PHE A 2 -9.448 -4.919 36.405 1.00 70.07 H new ATOM 0 HE1 PHE A 2 -10.076 -4.429 41.297 1.00 70.07 H new ATOM 0 HE2 PHE A 2 -7.531 -5.246 37.938 1.00 70.07 H new ATOM 0 HZ PHE A 2 -7.843 -5.007 40.384 1.00 70.07 H new ATOM 34 N ASP A 3 -14.839 -5.812 35.685 1.00 83.59 N ATOM 35 CA ASP A 3 -15.613 -5.951 34.424 1.00 83.59 C ATOM 36 C ASP A 3 -16.249 -4.617 34.042 1.00 83.59 C ATOM 37 O ASP A 3 -16.951 -3.986 34.807 1.00 83.59 O ATOM 38 CB ASP A 3 -16.682 -7.048 34.564 1.00 83.59 C ATOM 39 CG ASP A 3 -17.557 -6.801 35.793 1.00 83.59 C ATOM 40 OD1 ASP A 3 -17.241 -5.906 36.553 1.00 83.59 O ATOM 41 OD2 ASP A 3 -18.532 -7.522 35.951 1.00 83.59 O ATOM 0 H ASP A 3 -15.398 -5.781 36.538 1.00 83.59 H new ATOM 0 HA ASP A 3 -14.930 -6.245 33.627 1.00 83.59 H new ATOM 0 HB2 ASP A 3 -17.303 -7.073 33.669 1.00 83.59 H new ATOM 0 HB3 ASP A 3 -16.201 -8.023 34.645 1.00 83.59 H new ATOM 46 N CYS A 4 -16.018 -4.231 32.828 1.00 50.89 N ATOM 47 CA CYS A 4 -16.605 -2.964 32.310 1.00 50.89 C ATOM 48 C CYS A 4 -18.128 -3.099 32.338 1.00 50.89 C ATOM 49 O CYS A 4 -18.685 -4.010 31.765 1.00 50.89 O ATOM 50 CB CYS A 4 -16.137 -2.709 30.877 1.00 50.89 C ATOM 51 SG CYS A 4 -17.401 -1.769 29.988 1.00 50.89 S ATOM 0 H CYS A 4 -15.441 -4.742 32.160 1.00 50.89 H new ATOM 0 HA CYS A 4 -16.284 -2.126 32.929 1.00 50.89 H new ATOM 0 HB2 CYS A 4 -15.196 -2.159 30.883 1.00 50.89 H new ATOM 0 HB3 CYS A 4 -15.949 -3.656 30.371 1.00 50.89 H new ATOM 0 HG CYS A 4 -16.841 -1.077 29.041 1.00 50.89 H new ATOM 56 N LYS A 5 -18.802 -2.203 32.998 1.00 99.16 N ATOM 57 CA LYS A 5 -20.291 -2.286 33.071 1.00 99.16 C ATOM 58 C LYS A 5 -20.906 -1.656 31.820 1.00 99.16 C ATOM 59 O LYS A 5 -22.098 -1.740 31.598 1.00 99.16 O ATOM 60 CB LYS A 5 -20.785 -1.543 34.319 1.00 99.16 C ATOM 61 CG LYS A 5 -19.906 -1.908 35.521 1.00 99.16 C ATOM 62 CD LYS A 5 -20.361 -1.115 36.750 1.00 99.16 C ATOM 63 CE LYS A 5 -19.372 -1.340 37.898 1.00 99.16 C ATOM 64 NZ LYS A 5 -18.075 -0.679 37.576 1.00 99.16 N ATOM 0 H LYS A 5 -18.388 -1.413 33.493 1.00 99.16 H new ATOM 0 HA LYS A 5 -20.591 -3.332 33.129 1.00 99.16 H new ATOM 0 HB2 LYS A 5 -20.756 -0.467 34.148 1.00 99.16 H new ATOM 0 HB3 LYS A 5 -21.823 -1.805 34.523 1.00 99.16 H new ATOM 0 HG2 LYS A 5 -19.972 -2.977 35.721 1.00 99.16 H new ATOM 0 HG3 LYS A 5 -18.861 -1.689 35.300 1.00 99.16 H new ATOM 0 HD2 LYS A 5 -20.420 -0.053 36.510 1.00 99.16 H new ATOM 0 HD3 LYS A 5 -21.360 -1.430 37.050 1.00 99.16 H new ATOM 0 HE2 LYS A 5 -19.778 -0.936 38.826 1.00 99.16 H new ATOM 0 HE3 LYS A 5 -19.219 -2.408 38.056 1.00 99.16 H new ATOM 0 HZ1 LYS A 5 -17.541 -0.517 38.453 1.00 99.16 H new ATOM 0 HZ2 LYS A 5 -17.522 -1.290 36.942 1.00 99.16 H new ATOM 0 HZ3 LYS A 5 -18.256 0.232 37.108 1.00 99.16 H new ATOM 78 N ILE A 6 -20.117 -1.011 31.001 1.00112.28 N ATOM 79 CA ILE A 6 -20.692 -0.372 29.785 1.00112.28 C ATOM 80 C ILE A 6 -20.837 -1.395 28.656 1.00112.28 C ATOM 81 O ILE A 6 -21.936 -1.752 28.284 1.00112.28 O ATOM 82 CB ILE A 6 -19.801 0.781 29.313 1.00112.28 C ATOM 83 CG1 ILE A 6 -19.372 1.650 30.508 1.00112.28 C ATOM 84 CG2 ILE A 6 -20.575 1.642 28.304 1.00112.28 C ATOM 85 CD1 ILE A 6 -20.532 2.542 30.960 1.00112.28 C ATOM 0 H ILE A 6 -19.110 -0.901 31.121 1.00112.28 H new ATOM 0 HA ILE A 6 -21.677 0.017 30.044 1.00112.28 H new ATOM 0 HB ILE A 6 -18.909 0.369 28.840 1.00112.28 H new ATOM 0 HG12 ILE A 6 -19.051 1.013 31.333 1.00112.28 H new ATOM 0 HG13 ILE A 6 -18.517 2.266 30.230 1.00112.28 H new ATOM 0 HG21 ILE A 6 -19.943 2.463 27.966 1.00112.28 H new ATOM 0 HG22 ILE A 6 -20.863 1.030 27.449 1.00112.28 H new ATOM 0 HG23 ILE A 6 -21.470 2.044 28.780 1.00112.28 H new ATOM 0 HD11 ILE A 6 -20.214 3.151 31.806 1.00112.28 H new ATOM 0 HD12 ILE A 6 -20.833 3.191 30.138 1.00112.28 H new ATOM 0 HD13 ILE A 6 -21.375 1.919 31.258 1.00112.28 H new ATOM 97 N CYS A 7 -19.750 -1.855 28.081 1.00 82.08 N ATOM 98 CA CYS A 7 -19.884 -2.831 26.947 1.00 82.08 C ATOM 99 C CYS A 7 -19.791 -4.280 27.447 1.00 82.08 C ATOM 100 O CYS A 7 -20.336 -5.173 26.837 1.00 82.08 O ATOM 101 CB CYS A 7 -18.844 -2.550 25.850 1.00 82.08 C ATOM 102 SG CYS A 7 -17.168 -2.896 26.424 1.00 82.08 S ATOM 0 H CYS A 7 -18.795 -1.605 28.339 1.00 82.08 H new ATOM 0 HA CYS A 7 -20.873 -2.698 26.508 1.00 82.08 H new ATOM 0 HB2 CYS A 7 -19.063 -3.161 24.974 1.00 82.08 H new ATOM 0 HB3 CYS A 7 -18.915 -1.508 25.538 1.00 82.08 H new ATOM 0 HG CYS A 7 -17.065 -2.578 27.680 1.00 82.08 H new ATOM 107 N GLY A 8 -19.168 -4.527 28.573 1.00195.93 N ATOM 108 CA GLY A 8 -19.138 -5.935 29.102 1.00195.93 C ATOM 109 C GLY A 8 -17.806 -6.670 28.856 1.00195.93 C ATOM 110 O GLY A 8 -17.798 -7.863 28.625 1.00195.93 O ATOM 0 H GLY A 8 -18.686 -3.832 29.143 1.00195.93 H new ATOM 0 HA2 GLY A 8 -19.337 -5.914 30.174 1.00195.93 H new ATOM 0 HA3 GLY A 8 -19.945 -6.503 28.639 1.00195.93 H new ATOM 114 N LYS A 9 -16.687 -6.004 28.946 1.00114.22 N ATOM 115 CA LYS A 9 -15.374 -6.712 28.772 1.00114.22 C ATOM 116 C LYS A 9 -14.644 -6.666 30.117 1.00114.22 C ATOM 117 O LYS A 9 -15.004 -5.899 30.984 1.00114.22 O ATOM 118 CB LYS A 9 -14.528 -6.026 27.706 1.00114.22 C ATOM 119 CG LYS A 9 -15.234 -6.102 26.352 1.00114.22 C ATOM 120 CD LYS A 9 -14.305 -5.540 25.278 1.00114.22 C ATOM 121 CE LYS A 9 -15.061 -5.437 23.954 1.00114.22 C ATOM 122 NZ LYS A 9 -14.157 -4.884 22.907 1.00114.22 N ATOM 0 H LYS A 9 -16.619 -5.003 29.132 1.00114.22 H new ATOM 0 HA LYS A 9 -15.544 -7.740 28.453 1.00114.22 H new ATOM 0 HB2 LYS A 9 -14.358 -4.985 27.979 1.00114.22 H new ATOM 0 HB3 LYS A 9 -13.550 -6.503 27.643 1.00114.22 H new ATOM 0 HG2 LYS A 9 -15.496 -7.134 26.121 1.00114.22 H new ATOM 0 HG3 LYS A 9 -16.165 -5.535 26.380 1.00114.22 H new ATOM 0 HD2 LYS A 9 -13.938 -4.558 25.577 1.00114.22 H new ATOM 0 HD3 LYS A 9 -13.433 -6.184 25.162 1.00114.22 H new ATOM 0 HE2 LYS A 9 -15.425 -6.420 23.653 1.00114.22 H new ATOM 0 HE3 LYS A 9 -15.935 -4.796 24.071 1.00114.22 H new ATOM 0 HZ1 LYS A 9 -14.671 -4.814 22.006 1.00114.22 H new ATOM 0 HZ2 LYS A 9 -13.831 -3.939 23.194 1.00114.22 H new ATOM 0 HZ3 LYS A 9 -13.337 -5.512 22.789 1.00114.22 H new ATOM 136 N SER A 10 -13.658 -7.503 30.339 1.00 78.05 N ATOM 137 CA SER A 10 -12.996 -7.489 31.678 1.00 78.05 C ATOM 138 C SER A 10 -11.543 -7.026 31.613 1.00 78.05 C ATOM 139 O SER A 10 -10.928 -6.944 30.566 1.00 78.05 O ATOM 140 CB SER A 10 -13.055 -8.889 32.284 0.50 78.05 C ATOM 141 OG SER A 10 -12.436 -8.873 33.564 1.00 78.05 O ATOM 0 H SER A 10 -13.292 -8.179 29.668 1.00 78.05 H new ATOM 0 HA SER A 10 -13.535 -6.774 32.300 1.00 78.05 H new ATOM 0 HB2 SER A 10 -14.091 -9.216 32.372 0.50 78.05 H new ATOM 0 HB3 SER A 10 -12.550 -9.602 31.632 0.50 78.05 H new ATOM 0 HG SER A 10 -12.474 -9.770 33.957 1.00 78.05 H new ATOM 147 N PHE A 11 -11.012 -6.729 32.773 1.00 54.66 N ATOM 148 CA PHE A 11 -9.602 -6.269 32.887 1.00 54.66 C ATOM 149 C PHE A 11 -8.977 -6.835 34.152 1.00 54.66 C ATOM 150 O PHE A 11 -9.506 -6.721 35.238 1.00 54.66 O ATOM 151 CB PHE A 11 -9.585 -4.753 32.919 1.00 54.66 C ATOM 152 CG PHE A 11 -10.381 -4.291 31.740 1.00 54.66 C ATOM 153 CD1 PHE A 11 -9.774 -4.189 30.486 1.00 54.66 C ATOM 154 CD2 PHE A 11 -11.742 -4.015 31.887 1.00 54.66 C ATOM 155 CE1 PHE A 11 -10.531 -3.814 29.376 1.00 54.66 C ATOM 156 CE2 PHE A 11 -12.495 -3.629 30.781 1.00 54.66 C ATOM 157 CZ PHE A 11 -11.891 -3.532 29.524 1.00 54.66 C ATOM 0 H PHE A 11 -11.510 -6.789 33.661 1.00 54.66 H new ATOM 0 HA PHE A 11 -9.023 -6.619 32.032 1.00 54.66 H new ATOM 0 HB2 PHE A 11 -10.017 -4.380 33.848 1.00 54.66 H new ATOM 0 HB3 PHE A 11 -8.564 -4.376 32.868 1.00 54.66 H new ATOM 0 HD1 PHE A 11 -8.721 -4.400 30.376 1.00 54.66 H new ATOM 0 HD2 PHE A 11 -12.210 -4.101 32.857 1.00 54.66 H new ATOM 0 HE1 PHE A 11 -10.066 -3.742 28.404 1.00 54.66 H new ATOM 0 HE2 PHE A 11 -13.545 -3.405 30.894 1.00 54.66 H new ATOM 0 HZ PHE A 11 -12.477 -3.238 28.666 1.00 54.66 H new ATOM 167 N LYS A 12 -7.846 -7.455 33.994 1.00101.13 N ATOM 168 CA LYS A 12 -7.136 -8.049 35.149 1.00101.13 C ATOM 169 C LYS A 12 -6.579 -6.935 36.030 1.00101.13 C ATOM 170 O LYS A 12 -6.326 -7.118 37.204 1.00101.13 O ATOM 171 CB LYS A 12 -5.975 -8.897 34.621 1.00101.13 C ATOM 172 CG LYS A 12 -6.535 -10.227 34.103 1.00101.13 C ATOM 173 CD LYS A 12 -5.430 -11.037 33.413 1.00101.13 C ATOM 174 CE LYS A 12 -5.475 -10.790 31.904 1.00101.13 C ATOM 175 NZ LYS A 12 -5.187 -9.355 31.631 1.00101.13 N ATOM 0 H LYS A 12 -7.377 -7.576 33.096 1.00101.13 H new ATOM 0 HA LYS A 12 -7.821 -8.664 35.732 1.00101.13 H new ATOM 0 HB2 LYS A 12 -5.454 -8.369 33.822 1.00101.13 H new ATOM 0 HB3 LYS A 12 -5.247 -9.076 35.412 1.00101.13 H new ATOM 0 HG2 LYS A 12 -6.953 -10.800 34.930 1.00101.13 H new ATOM 0 HG3 LYS A 12 -7.349 -10.039 33.403 1.00101.13 H new ATOM 0 HD2 LYS A 12 -4.455 -10.752 33.809 1.00101.13 H new ATOM 0 HD3 LYS A 12 -5.560 -12.099 33.621 1.00101.13 H new ATOM 0 HE2 LYS A 12 -4.745 -11.422 31.399 1.00101.13 H new ATOM 0 HE3 LYS A 12 -6.455 -11.057 31.509 1.00101.13 H new ATOM 0 HZ1 LYS A 12 -4.983 -9.228 30.619 1.00101.13 H new ATOM 0 HZ2 LYS A 12 -6.013 -8.779 31.892 1.00101.13 H new ATOM 0 HZ3 LYS A 12 -4.364 -9.053 32.191 1.00101.13 H new ATOM 189 N ARG A 13 -6.356 -5.778 35.450 1.00 74.89 N ATOM 190 CA ARG A 13 -5.784 -4.648 36.235 1.00 74.89 C ATOM 191 C ARG A 13 -6.776 -3.489 36.247 1.00 74.89 C ATOM 192 O ARG A 13 -7.400 -3.178 35.247 1.00 74.89 O ATOM 193 CB ARG A 13 -4.460 -4.214 35.594 1.00 74.89 C ATOM 194 CG ARG A 13 -3.552 -5.444 35.422 1.00 74.89 C ATOM 195 CD ARG A 13 -3.609 -5.959 33.974 1.00 74.89 C ATOM 196 NE ARG A 13 -4.978 -5.770 33.414 1.00 74.89 N ATOM 197 CZ ARG A 13 -5.299 -6.325 32.276 1.00 74.89 C ATOM 198 NH1 ARG A 13 -4.410 -7.017 31.616 1.00 74.89 N ATOM 199 NH2 ARG A 13 -6.503 -6.185 31.795 1.00 74.89 N ATOM 0 H ARG A 13 -6.546 -5.572 34.469 1.00 74.89 H new ATOM 0 HA ARG A 13 -5.597 -4.960 37.263 1.00 74.89 H new ATOM 0 HB2 ARG A 13 -4.647 -3.747 34.627 1.00 74.89 H new ATOM 0 HB3 ARG A 13 -3.968 -3.468 36.218 1.00 74.89 H new ATOM 0 HG2 ARG A 13 -2.526 -5.185 35.682 1.00 74.89 H new ATOM 0 HG3 ARG A 13 -3.864 -6.232 36.107 1.00 74.89 H new ATOM 0 HD2 ARG A 13 -2.881 -5.426 33.362 1.00 74.89 H new ATOM 0 HD3 ARG A 13 -3.339 -7.015 33.945 1.00 74.89 H new ATOM 0 HE ARG A 13 -5.663 -5.208 33.919 1.00 74.89 H new ATOM 0 HH11 ARG A 13 -3.467 -7.123 31.989 1.00 74.89 H new ATOM 0 HH12 ARG A 13 -4.659 -7.451 30.727 1.00 74.89 H new ATOM 0 HH21 ARG A 13 -7.197 -5.641 32.308 1.00 74.89 H new ATOM 0 HH22 ARG A 13 -6.751 -6.620 30.906 1.00 74.89 H new ATOM 213 N SER A 14 -6.945 -2.847 37.370 1.00 25.87 N ATOM 214 CA SER A 14 -7.913 -1.726 37.419 1.00 25.87 C ATOM 215 C SER A 14 -7.481 -0.663 36.416 1.00 25.87 C ATOM 216 O SER A 14 -8.300 0.003 35.822 1.00 25.87 O ATOM 217 CB SER A 14 -7.967 -1.128 38.825 1.00 25.87 C ATOM 218 OG SER A 14 -9.015 -0.165 38.883 1.00 25.87 O ATOM 0 H SER A 14 -6.459 -3.050 38.244 1.00 25.87 H new ATOM 0 HA SER A 14 -8.908 -2.093 37.167 1.00 25.87 H new ATOM 0 HB2 SER A 14 -8.137 -1.914 39.561 1.00 25.87 H new ATOM 0 HB3 SER A 14 -7.013 -0.661 39.072 1.00 25.87 H new ATOM 0 HG SER A 14 -9.055 0.221 39.783 1.00 25.87 H new ATOM 224 N SER A 15 -6.197 -0.488 36.227 1.00 23.45 N ATOM 225 CA SER A 15 -5.733 0.539 35.261 1.00 23.45 C ATOM 226 C SER A 15 -6.229 0.171 33.870 1.00 23.45 C ATOM 227 O SER A 15 -6.712 1.010 33.134 1.00 23.45 O ATOM 228 CB SER A 15 -4.205 0.613 35.250 1.00 23.45 C ATOM 229 OG SER A 15 -3.760 0.952 33.941 1.00 23.45 O ATOM 0 H SER A 15 -5.459 -1.011 36.699 1.00 23.45 H new ATOM 0 HA SER A 15 -6.128 1.510 35.558 1.00 23.45 H new ATOM 0 HB2 SER A 15 -3.860 1.357 35.968 1.00 23.45 H new ATOM 0 HB3 SER A 15 -3.781 -0.344 35.554 1.00 23.45 H new ATOM 0 HG SER A 15 -2.781 1.002 33.931 1.00 23.45 H new ATOM 235 N THR A 16 -6.126 -1.076 33.485 1.00 32.27 N ATOM 236 CA THR A 16 -6.609 -1.458 32.138 1.00 32.27 C ATOM 237 C THR A 16 -8.104 -1.160 32.100 1.00 32.27 C ATOM 238 O THR A 16 -8.642 -0.747 31.088 1.00 32.27 O ATOM 239 CB THR A 16 -6.327 -2.952 31.908 1.00 32.27 C ATOM 240 OG1 THR A 16 -5.998 -3.556 33.146 1.00 32.27 O ATOM 241 CG2 THR A 16 -5.166 -3.120 30.941 1.00 32.27 C ATOM 0 H THR A 16 -5.732 -1.833 34.043 1.00 32.27 H new ATOM 0 HA THR A 16 -6.103 -0.902 31.349 1.00 32.27 H new ATOM 0 HB THR A 16 -7.213 -3.426 31.485 1.00 32.27 H new ATOM 0 HG1 THR A 16 -6.795 -3.591 33.715 1.00 32.27 H new ATOM 0 HG21 THR A 16 -4.974 -4.181 30.784 1.00 32.27 H new ATOM 0 HG22 THR A 16 -5.415 -2.652 29.989 1.00 32.27 H new ATOM 0 HG23 THR A 16 -4.276 -2.647 31.356 1.00 32.27 H new ATOM 249 N LEU A 17 -8.776 -1.300 33.214 1.00 97.78 N ATOM 250 CA LEU A 17 -10.224 -0.953 33.225 1.00 97.78 C ATOM 251 C LEU A 17 -10.321 0.568 33.193 1.00 97.78 C ATOM 252 O LEU A 17 -11.193 1.120 32.568 1.00 97.78 O ATOM 253 CB LEU A 17 -10.923 -1.482 34.486 1.00 97.78 C ATOM 254 CG LEU A 17 -12.282 -0.773 34.680 1.00 97.78 C ATOM 255 CD1 LEU A 17 -13.229 -1.115 33.526 1.00 97.78 C ATOM 256 CD2 LEU A 17 -12.919 -1.225 35.999 1.00 97.78 C ATOM 0 H LEU A 17 -8.392 -1.633 34.099 1.00 97.78 H new ATOM 0 HA LEU A 17 -10.716 -1.409 32.366 1.00 97.78 H new ATOM 0 HB2 LEU A 17 -11.075 -2.558 34.402 1.00 97.78 H new ATOM 0 HB3 LEU A 17 -10.290 -1.316 35.358 1.00 97.78 H new ATOM 0 HG LEU A 17 -12.112 0.303 34.701 1.00 97.78 H new ATOM 0 HD11 LEU A 17 -14.183 -0.609 33.676 1.00 97.78 H new ATOM 0 HD12 LEU A 17 -12.788 -0.788 32.584 1.00 97.78 H new ATOM 0 HD13 LEU A 17 -13.391 -2.192 33.495 1.00 97.78 H new ATOM 0 HD21 LEU A 17 -13.877 -0.722 36.131 1.00 97.78 H new ATOM 0 HD22 LEU A 17 -13.075 -2.304 35.977 1.00 97.78 H new ATOM 0 HD23 LEU A 17 -12.258 -0.971 36.828 1.00 97.78 H new ATOM 268 N SER A 18 -9.443 1.259 33.869 1.00 34.23 N ATOM 269 CA SER A 18 -9.507 2.745 33.864 1.00 34.23 C ATOM 270 C SER A 18 -9.418 3.247 32.423 1.00 34.23 C ATOM 271 O SER A 18 -10.311 3.911 31.941 1.00 34.23 O ATOM 272 CB SER A 18 -8.336 3.306 34.681 0.50 34.23 C ATOM 273 OG SER A 18 -7.143 3.231 33.910 1.00 34.23 O ATOM 0 H SER A 18 -8.686 0.858 34.423 1.00 34.23 H new ATOM 0 HA SER A 18 -10.447 3.076 34.306 1.00 34.23 H new ATOM 0 HB2 SER A 18 -8.536 4.340 34.962 0.50 34.23 H new ATOM 0 HB3 SER A 18 -8.220 2.741 35.606 0.50 34.23 H new ATOM 0 HG SER A 18 -6.943 2.293 33.708 1.00 34.23 H new ATOM 279 N THR A 19 -8.360 2.921 31.725 1.00 30.69 N ATOM 280 CA THR A 19 -8.238 3.378 30.310 1.00 30.69 C ATOM 281 C THR A 19 -9.447 2.884 29.524 1.00 30.69 C ATOM 282 O THR A 19 -9.959 3.549 28.640 1.00 30.69 O ATOM 283 CB THR A 19 -6.961 2.807 29.698 1.00 30.69 C ATOM 284 OG1 THR A 19 -5.841 3.294 30.419 1.00 30.69 O ATOM 285 CG2 THR A 19 -6.860 3.242 28.237 1.00 30.69 C ATOM 0 H THR A 19 -7.581 2.362 32.072 1.00 30.69 H new ATOM 0 HA THR A 19 -8.196 4.467 30.275 1.00 30.69 H new ATOM 0 HB THR A 19 -6.982 1.718 29.749 1.00 30.69 H new ATOM 0 HG1 THR A 19 -5.018 2.929 30.031 1.00 30.69 H new ATOM 0 HG21 THR A 19 -5.949 2.835 27.798 1.00 30.69 H new ATOM 0 HG22 THR A 19 -7.725 2.871 27.686 1.00 30.69 H new ATOM 0 HG23 THR A 19 -6.834 4.330 28.182 1.00 30.69 H new ATOM 293 N HIS A 20 -9.927 1.726 29.851 1.00 81.83 N ATOM 294 CA HIS A 20 -11.116 1.210 29.139 1.00 81.83 C ATOM 295 C HIS A 20 -12.316 2.116 29.472 1.00 81.83 C ATOM 296 O HIS A 20 -13.035 2.602 28.597 1.00 81.83 O ATOM 297 CB HIS A 20 -11.380 -0.225 29.592 1.00 81.83 C ATOM 298 CG HIS A 20 -12.559 -0.741 28.847 1.00 81.83 C ATOM 299 ND1 HIS A 20 -12.450 -1.383 27.605 1.00 81.83 N ATOM 300 CD2 HIS A 20 -13.891 -0.646 29.111 1.00 81.83 C ATOM 301 CE1 HIS A 20 -13.703 -1.635 27.174 1.00 81.83 C ATOM 302 NE2 HIS A 20 -14.579 -1.203 28.065 1.00 81.83 N ATOM 0 H HIS A 20 -9.550 1.117 30.577 1.00 81.83 H new ATOM 0 HA HIS A 20 -10.956 1.212 28.061 1.00 81.83 H new ATOM 0 HB2 HIS A 20 -10.507 -0.850 29.401 1.00 81.83 H new ATOM 0 HB3 HIS A 20 -11.566 -0.256 30.666 1.00 81.83 H new ATOM 0 HD1 HIS A 20 -11.584 -1.616 27.118 1.00 81.83 H new ATOM 0 HD2 HIS A 20 -14.331 -0.207 29.994 1.00 81.83 H new ATOM 0 HE1 HIS A 20 -13.953 -2.117 26.241 1.00 81.83 H new ATOM 310 N LEU A 21 -12.528 2.378 30.735 1.00156.93 N ATOM 311 CA LEU A 21 -13.653 3.263 31.110 1.00156.93 C ATOM 312 C LEU A 21 -13.462 4.564 30.343 1.00156.93 C ATOM 313 O LEU A 21 -14.402 5.243 29.973 1.00156.93 O ATOM 314 CB LEU A 21 -13.628 3.533 32.617 1.00156.93 C ATOM 315 CG LEU A 21 -14.076 2.280 33.378 1.00156.93 C ATOM 316 CD1 LEU A 21 -13.781 2.456 34.870 1.00156.93 C ATOM 317 CD2 LEU A 21 -15.582 2.056 33.183 1.00156.93 C ATOM 0 H LEU A 21 -11.973 2.018 31.512 1.00156.93 H new ATOM 0 HA LEU A 21 -14.611 2.803 30.869 1.00156.93 H new ATOM 0 HB2 LEU A 21 -12.623 3.818 32.928 1.00156.93 H new ATOM 0 HB3 LEU A 21 -14.285 4.369 32.857 1.00156.93 H new ATOM 0 HG LEU A 21 -13.532 1.418 32.993 1.00156.93 H new ATOM 0 HD11 LEU A 21 -14.099 1.565 35.411 1.00156.93 H new ATOM 0 HD12 LEU A 21 -12.711 2.605 35.014 1.00156.93 H new ATOM 0 HD13 LEU A 21 -14.322 3.323 35.248 1.00156.93 H new ATOM 0 HD21 LEU A 21 -15.891 1.164 33.727 1.00156.93 H new ATOM 0 HD22 LEU A 21 -16.130 2.919 33.561 1.00156.93 H new ATOM 0 HD23 LEU A 21 -15.796 1.926 32.122 1.00156.93 H new ATOM 329 N LEU A 22 -12.217 4.894 30.082 1.00 64.07 N ATOM 330 CA LEU A 22 -11.912 6.123 29.315 1.00 64.07 C ATOM 331 C LEU A 22 -12.332 5.897 27.869 1.00 64.07 C ATOM 332 O LEU A 22 -12.710 6.823 27.191 1.00 64.07 O ATOM 333 CB LEU A 22 -10.414 6.469 29.388 1.00 64.07 C ATOM 334 CG LEU A 22 -9.983 6.659 30.847 1.00 64.07 C ATOM 335 CD1 LEU A 22 -8.588 7.278 30.889 1.00 64.07 C ATOM 336 CD2 LEU A 22 -10.962 7.583 31.579 1.00 64.07 C ATOM 0 H LEU A 22 -11.402 4.355 30.374 1.00 64.07 H new ATOM 0 HA LEU A 22 -12.459 6.963 29.743 1.00 64.07 H new ATOM 0 HB2 LEU A 22 -9.827 5.673 28.929 1.00 64.07 H new ATOM 0 HB3 LEU A 22 -10.216 7.379 28.822 1.00 64.07 H new ATOM 0 HG LEU A 22 -9.976 5.686 31.338 1.00 64.07 H new ATOM 0 HD11 LEU A 22 -8.281 7.413 31.926 1.00 64.07 H new ATOM 0 HD12 LEU A 22 -7.882 6.618 30.385 1.00 64.07 H new ATOM 0 HD13 LEU A 22 -8.604 8.245 30.386 1.00 64.07 H new ATOM 0 HD21 LEU A 22 -10.641 7.707 32.613 1.00 64.07 H new ATOM 0 HD22 LEU A 22 -10.982 8.555 31.086 1.00 64.07 H new ATOM 0 HD23 LEU A 22 -11.960 7.145 31.559 1.00 64.07 H new ATOM 348 N ILE A 23 -12.311 4.683 27.366 1.00150.10 N ATOM 349 CA ILE A 23 -12.773 4.495 25.966 1.00150.10 C ATOM 350 C ILE A 23 -14.239 4.906 25.902 1.00150.10 C ATOM 351 O ILE A 23 -14.692 5.471 24.927 1.00150.10 O ATOM 352 CB ILE A 23 -12.646 3.022 25.544 1.00150.10 C ATOM 353 CG1 ILE A 23 -11.172 2.655 25.361 1.00150.10 C ATOM 354 CG2 ILE A 23 -13.382 2.812 24.217 1.00150.10 C ATOM 355 CD1 ILE A 23 -11.037 1.152 25.075 1.00150.10 C ATOM 0 H ILE A 23 -12.002 3.842 27.853 1.00150.10 H new ATOM 0 HA ILE A 23 -12.162 5.098 25.294 1.00150.10 H new ATOM 0 HB ILE A 23 -13.082 2.390 26.318 1.00150.10 H new ATOM 0 HG12 ILE A 23 -10.745 3.230 24.539 1.00150.10 H new ATOM 0 HG13 ILE A 23 -10.610 2.915 26.258 1.00150.10 H new ATOM 0 HG21 ILE A 23 -13.295 1.769 23.914 1.00150.10 H new ATOM 0 HG22 ILE A 23 -14.435 3.067 24.340 1.00150.10 H new ATOM 0 HG23 ILE A 23 -12.941 3.451 23.451 1.00150.10 H new ATOM 0 HD11 ILE A 23 -9.985 0.899 24.946 1.00150.10 H new ATOM 0 HD12 ILE A 23 -11.447 0.584 25.910 1.00150.10 H new ATOM 0 HD13 ILE A 23 -11.584 0.904 24.165 1.00150.10 H new ATOM 367 N HIS A 24 -14.998 4.635 26.940 1.00 55.94 N ATOM 368 CA HIS A 24 -16.450 5.036 26.901 1.00 55.94 C ATOM 369 C HIS A 24 -16.625 6.519 27.249 1.00 55.94 C ATOM 370 O HIS A 24 -17.532 7.163 26.761 1.00 55.94 O ATOM 371 CB HIS A 24 -17.287 4.223 27.890 1.00 55.94 C ATOM 372 CG HIS A 24 -17.294 2.773 27.506 1.00 55.94 C ATOM 373 ND1 HIS A 24 -17.747 2.312 26.259 1.00 55.94 N ATOM 374 CD2 HIS A 24 -16.872 1.668 28.186 1.00 55.94 C ATOM 375 CE1 HIS A 24 -17.572 0.970 26.238 1.00 55.94 C ATOM 376 NE2 HIS A 24 -17.052 0.564 27.388 1.00 55.94 N ATOM 0 H HIS A 24 -14.690 4.167 27.792 1.00 55.94 H new ATOM 0 HA HIS A 24 -16.792 4.844 25.884 1.00 55.94 H new ATOM 0 HB2 HIS A 24 -16.884 4.337 28.896 1.00 55.94 H new ATOM 0 HB3 HIS A 24 -18.308 4.604 27.911 1.00 55.94 H new ATOM 0 HD1 HIS A 24 -18.136 2.883 25.508 1.00 55.94 H new ATOM 0 HD2 HIS A 24 -16.464 1.662 29.186 1.00 55.94 H new ATOM 0 HE1 HIS A 24 -17.819 0.325 25.407 1.00 55.94 H new ATOM 384 N SER A 25 -15.784 7.089 28.081 1.00 89.10 N ATOM 385 CA SER A 25 -15.955 8.537 28.425 1.00 89.10 C ATOM 386 C SER A 25 -15.103 9.373 27.477 1.00 89.10 C ATOM 387 O SER A 25 -15.113 10.587 27.506 1.00 89.10 O ATOM 388 CB SER A 25 -15.474 8.777 29.858 1.00 89.10 C ATOM 389 OG SER A 25 -16.264 8.011 30.755 1.00 89.10 O ATOM 0 H SER A 25 -14.997 6.621 28.531 1.00 89.10 H new ATOM 0 HA SER A 25 -17.005 8.815 28.335 1.00 89.10 H new ATOM 0 HB2 SER A 25 -14.424 8.499 29.952 1.00 89.10 H new ATOM 0 HB3 SER A 25 -15.547 9.836 30.105 1.00 89.10 H new ATOM 0 HG SER A 25 -15.956 8.162 31.673 1.00 89.10 H new ATOM 395 N ASP A 26 -14.343 8.711 26.657 1.00 62.89 N ATOM 396 CA ASP A 26 -13.444 9.414 25.706 1.00 62.89 C ATOM 397 C ASP A 26 -12.697 10.522 26.445 1.00 62.89 C ATOM 398 O ASP A 26 -12.975 11.693 26.280 1.00 62.89 O ATOM 399 CB ASP A 26 -14.256 9.995 24.552 1.00 62.89 C ATOM 400 CG ASP A 26 -15.005 8.859 23.854 1.00 62.89 C ATOM 401 OD1 ASP A 26 -14.607 7.719 24.034 1.00 62.89 O ATOM 402 OD2 ASP A 26 -15.961 9.147 23.155 1.00 62.89 O ATOM 0 H ASP A 26 -14.306 7.693 26.604 1.00 62.89 H new ATOM 0 HA ASP A 26 -12.722 8.708 25.296 1.00 62.89 H new ATOM 0 HB2 ASP A 26 -14.961 10.739 24.924 1.00 62.89 H new ATOM 0 HB3 ASP A 26 -13.599 10.503 23.846 1.00 62.89 H new ATOM 407 N THR A 27 -11.746 10.156 27.262 1.00115.68 N ATOM 408 CA THR A 27 -10.963 11.174 28.019 1.00115.68 C ATOM 409 C THR A 27 -9.559 11.248 27.423 1.00115.68 C ATOM 410 O THR A 27 -8.860 10.257 27.346 1.00115.68 O ATOM 411 CB THR A 27 -10.881 10.751 29.487 1.00115.68 C ATOM 412 OG1 THR A 27 -12.162 10.313 29.917 1.00115.68 O ATOM 413 CG2 THR A 27 -10.430 11.935 30.350 1.00115.68 C ATOM 0 H THR A 27 -11.476 9.188 27.438 1.00115.68 H new ATOM 0 HA THR A 27 -11.443 12.150 27.953 1.00115.68 H new ATOM 0 HB THR A 27 -10.158 9.942 29.590 1.00115.68 H new ATOM 0 HG1 THR A 27 -12.196 10.314 30.896 1.00115.68 H new ATOM 0 HG21 THR A 27 -10.375 11.624 31.393 1.00115.68 H new ATOM 0 HG22 THR A 27 -9.448 12.273 30.019 1.00115.68 H new ATOM 0 HG23 THR A 27 -11.146 12.751 30.252 1.00115.68 H new ATOM 421 N ARG A 28 -9.142 12.402 26.981 1.00115.33 N ATOM 422 CA ARG A 28 -7.788 12.511 26.370 1.00115.33 C ATOM 423 C ARG A 28 -7.108 13.801 26.833 1.00115.33 C ATOM 424 O ARG A 28 -7.176 14.817 26.170 1.00115.33 O ATOM 425 CB ARG A 28 -7.945 12.521 24.847 1.00115.33 C ATOM 426 CG ARG A 28 -8.894 11.389 24.428 1.00115.33 C ATOM 427 CD ARG A 28 -8.700 11.071 22.943 1.00115.33 C ATOM 428 NE ARG A 28 -9.683 10.032 22.523 1.00115.33 N ATOM 429 CZ ARG A 28 -9.554 8.800 22.939 1.00115.33 C ATOM 430 NH1 ARG A 28 -8.566 8.477 23.728 1.00115.33 N ATOM 431 NH2 ARG A 28 -10.414 7.893 22.566 1.00115.33 N ATOM 0 H ARG A 28 -9.677 13.270 27.016 1.00115.33 H new ATOM 0 HA ARG A 28 -7.171 11.666 26.677 1.00115.33 H new ATOM 0 HB2 ARG A 28 -8.339 13.482 24.517 1.00115.33 H new ATOM 0 HB3 ARG A 28 -6.974 12.393 24.369 1.00115.33 H new ATOM 0 HG2 ARG A 28 -8.701 10.500 25.028 1.00115.33 H new ATOM 0 HG3 ARG A 28 -9.927 11.681 24.615 1.00115.33 H new ATOM 0 HD2 ARG A 28 -8.832 11.974 22.347 1.00115.33 H new ATOM 0 HD3 ARG A 28 -7.684 10.718 22.766 1.00115.33 H new ATOM 0 HE ARG A 28 -10.458 10.283 21.909 1.00115.33 H new ATOM 0 HH11 ARG A 28 -7.894 9.186 24.020 1.00115.33 H new ATOM 0 HH12 ARG A 28 -8.466 7.515 24.052 1.00115.33 H new ATOM 0 HH21 ARG A 28 -11.187 8.146 21.950 1.00115.33 H new ATOM 0 HH22 ARG A 28 -10.314 6.931 22.890 1.00115.33 H new ATOM 445 N PRO A 29 -6.459 13.763 27.971 1.00 90.27 N ATOM 446 CA PRO A 29 -5.767 14.950 28.535 1.00 90.27 C ATOM 447 C PRO A 29 -4.359 15.171 27.952 1.00 90.27 C ATOM 448 O PRO A 29 -3.621 16.012 28.425 1.00 90.27 O ATOM 449 CB PRO A 29 -5.689 14.633 30.031 1.00 90.27 C ATOM 450 CG PRO A 29 -5.682 13.137 30.128 1.00 90.27 C ATOM 451 CD PRO A 29 -6.324 12.589 28.847 1.00 90.27 C ATOM 0 HA PRO A 29 -6.300 15.871 28.301 1.00 90.27 H new ATOM 0 HB2 PRO A 29 -4.789 15.058 30.475 1.00 90.27 H new ATOM 0 HB3 PRO A 29 -6.539 15.056 30.566 1.00 90.27 H new ATOM 0 HG2 PRO A 29 -4.663 12.765 30.236 1.00 90.27 H new ATOM 0 HG3 PRO A 29 -6.237 12.807 31.006 1.00 90.27 H new ATOM 0 HD2 PRO A 29 -5.701 11.821 28.388 1.00 90.27 H new ATOM 0 HD3 PRO A 29 -7.293 12.133 29.052 1.00 90.27 H new ATOM 459 N TYR A 30 -3.975 14.426 26.940 1.00131.19 N ATOM 460 CA TYR A 30 -2.610 14.612 26.350 1.00131.19 C ATOM 461 C TYR A 30 -2.751 15.184 24.932 1.00131.19 C ATOM 462 O TYR A 30 -2.946 14.452 23.983 1.00131.19 O ATOM 463 CB TYR A 30 -1.897 13.260 26.295 1.00131.19 C ATOM 464 CG TYR A 30 -1.554 12.818 27.699 1.00131.19 C ATOM 465 CD1 TYR A 30 -0.507 13.437 28.392 1.00131.19 C ATOM 466 CD2 TYR A 30 -2.284 11.790 28.307 1.00131.19 C ATOM 467 CE1 TYR A 30 -0.190 13.028 29.692 1.00131.19 C ATOM 468 CE2 TYR A 30 -1.967 11.381 29.609 1.00131.19 C ATOM 469 CZ TYR A 30 -0.921 11.999 30.301 1.00131.19 C ATOM 470 OH TYR A 30 -0.606 11.594 31.582 1.00131.19 O ATOM 0 H TYR A 30 -4.544 13.702 26.500 1.00131.19 H new ATOM 0 HA TYR A 30 -2.029 15.301 26.963 1.00131.19 H new ATOM 0 HB2 TYR A 30 -2.535 12.519 25.814 1.00131.19 H new ATOM 0 HB3 TYR A 30 -0.991 13.338 25.695 1.00131.19 H new ATOM 0 HD1 TYR A 30 0.056 14.230 27.923 1.00131.19 H new ATOM 0 HD2 TYR A 30 -3.092 11.312 27.772 1.00131.19 H new ATOM 0 HE1 TYR A 30 0.618 13.505 30.226 1.00131.19 H new ATOM 0 HE2 TYR A 30 -2.531 10.588 30.078 1.00131.19 H new ATOM 0 HH TYR A 30 -1.210 10.872 31.855 1.00131.19 H new ATOM 480 N PRO A 31 -2.688 16.489 24.792 1.00108.54 N ATOM 481 CA PRO A 31 -2.854 17.165 23.474 1.00108.54 C ATOM 482 C PRO A 31 -1.573 17.280 22.635 1.00108.54 C ATOM 483 O PRO A 31 -0.562 17.775 23.086 1.00108.54 O ATOM 484 CB PRO A 31 -3.330 18.561 23.869 0.50108.54 C ATOM 485 CG PRO A 31 -2.692 18.828 25.199 0.50108.54 C ATOM 486 CD PRO A 31 -2.463 17.467 25.870 0.50108.54 C ATOM 0 HA PRO A 31 -3.530 16.594 22.838 1.00108.54 H new ATOM 0 HB2 PRO A 31 -3.029 19.304 23.131 0.50108.54 H new ATOM 0 HB3 PRO A 31 -4.417 18.602 23.938 0.50108.54 H new ATOM 0 HG2 PRO A 31 -1.749 19.360 25.074 0.50108.54 H new ATOM 0 HG3 PRO A 31 -3.334 19.458 25.815 0.50108.54 H new ATOM 0 HD2 PRO A 31 -1.454 17.388 26.275 0.50108.54 H new ATOM 0 HD3 PRO A 31 -3.153 17.311 26.699 0.50108.54 H new ATOM 494 N CYS A 32 -1.642 16.873 21.398 1.00 43.40 N ATOM 495 CA CYS A 32 -0.471 16.999 20.494 1.00 43.40 C ATOM 496 C CYS A 32 -0.041 18.457 20.482 1.00 43.40 C ATOM 497 O CYS A 32 -0.848 19.364 20.400 1.00 43.40 O ATOM 498 CB CYS A 32 -0.857 16.569 19.077 1.00 43.40 C ATOM 499 SG CYS A 32 0.124 17.488 17.861 1.00 43.40 S ATOM 0 H CYS A 32 -2.470 16.455 20.973 1.00 43.40 H new ATOM 0 HA CYS A 32 0.342 16.363 20.843 1.00 43.40 H new ATOM 0 HB2 CYS A 32 -0.692 15.498 18.955 1.00 43.40 H new ATOM 0 HB3 CYS A 32 -1.919 16.749 18.910 1.00 43.40 H new ATOM 0 HG CYS A 32 0.718 16.652 17.062 1.00 43.40 H new ATOM 504 N GLN A 33 1.229 18.681 20.584 1.00113.04 N ATOM 505 CA GLN A 33 1.754 20.066 20.607 1.00113.04 C ATOM 506 C GLN A 33 1.846 20.641 19.189 1.00113.04 C ATOM 507 O GLN A 33 2.000 21.836 19.028 1.00113.04 O ATOM 508 CB GLN A 33 3.144 20.051 21.241 1.00113.04 C ATOM 509 CG GLN A 33 3.592 21.481 21.532 1.00113.04 C ATOM 510 CD GLN A 33 4.884 21.452 22.348 1.00113.04 C ATOM 511 OE1 GLN A 33 5.367 20.397 22.708 1.00113.04 O ATOM 512 NE2 GLN A 33 5.467 22.576 22.659 1.00113.04 N ATOM 0 H GLN A 33 1.939 17.952 20.654 1.00113.04 H new ATOM 0 HA GLN A 33 1.076 20.693 21.186 1.00113.04 H new ATOM 0 HB2 GLN A 33 3.127 19.470 22.163 1.00113.04 H new ATOM 0 HB3 GLN A 33 3.854 19.566 20.571 1.00113.04 H new ATOM 0 HG2 GLN A 33 3.750 22.021 20.599 1.00113.04 H new ATOM 0 HG3 GLN A 33 2.814 22.013 22.080 1.00113.04 H new ATOM 0 HE21 GLN A 33 5.061 23.462 22.357 1.00113.04 H new ATOM 0 HE22 GLN A 33 6.329 22.570 23.205 1.00113.04 H new ATOM 521 N TYR A 34 1.792 19.828 18.157 1.00118.47 N ATOM 522 CA TYR A 34 1.921 20.401 16.785 1.00118.47 C ATOM 523 C TYR A 34 0.595 20.346 16.000 1.00118.47 C ATOM 524 O TYR A 34 0.029 21.369 15.675 1.00118.47 O ATOM 525 CB TYR A 34 3.015 19.642 16.036 1.00118.47 C ATOM 526 CG TYR A 34 4.206 19.513 16.951 1.00118.47 C ATOM 527 CD1 TYR A 34 4.245 18.481 17.890 1.00118.47 C ATOM 528 CD2 TYR A 34 5.258 20.434 16.875 1.00118.47 C ATOM 529 CE1 TYR A 34 5.335 18.363 18.756 1.00118.47 C ATOM 530 CE2 TYR A 34 6.353 20.316 17.743 1.00118.47 C ATOM 531 CZ TYR A 34 6.389 19.280 18.684 1.00118.47 C ATOM 532 OH TYR A 34 7.463 19.163 19.542 1.00118.47 O ATOM 0 H TYR A 34 1.667 18.817 18.206 1.00118.47 H new ATOM 0 HA TYR A 34 2.186 21.454 16.877 1.00118.47 H new ATOM 0 HB2 TYR A 34 2.657 18.657 15.736 1.00118.47 H new ATOM 0 HB3 TYR A 34 3.291 20.173 15.125 1.00118.47 H new ATOM 0 HD1 TYR A 34 3.432 17.773 17.947 1.00118.47 H new ATOM 0 HD2 TYR A 34 5.226 21.233 16.150 1.00118.47 H new ATOM 0 HE1 TYR A 34 5.364 17.563 19.481 1.00118.47 H new ATOM 0 HE2 TYR A 34 7.167 21.023 17.686 1.00118.47 H new ATOM 0 HH TYR A 34 8.107 19.878 19.359 1.00118.47 H new ATOM 542 N CYS A 35 0.103 19.168 15.660 1.00 56.06 N ATOM 543 CA CYS A 35 -1.177 19.096 14.861 1.00 56.06 C ATOM 544 C CYS A 35 -2.429 19.008 15.768 1.00 56.06 C ATOM 545 O CYS A 35 -3.532 18.796 15.302 1.00 56.06 O ATOM 546 CB CYS A 35 -1.128 17.945 13.831 1.00 56.06 C ATOM 547 SG CYS A 35 -1.262 16.315 14.598 1.00 56.06 S ATOM 0 H CYS A 35 0.523 18.269 15.896 1.00 56.06 H new ATOM 0 HA CYS A 35 -1.264 20.030 14.306 1.00 56.06 H new ATOM 0 HB2 CYS A 35 -1.938 18.071 13.113 1.00 56.06 H new ATOM 0 HB3 CYS A 35 -0.194 18.003 13.272 1.00 56.06 H new ATOM 0 HG CYS A 35 -0.832 16.375 15.823 1.00 56.06 H new ATOM 552 N GLY A 36 -2.270 19.262 17.048 1.00 19.15 N ATOM 553 CA GLY A 36 -3.439 19.306 18.004 1.00 19.15 C ATOM 554 C GLY A 36 -4.110 17.948 18.299 1.00 19.15 C ATOM 555 O GLY A 36 -4.912 17.858 19.207 1.00 19.15 O ATOM 0 H GLY A 36 -1.365 19.444 17.483 1.00 19.15 H new ATOM 0 HA2 GLY A 36 -3.099 19.735 18.946 1.00 19.15 H new ATOM 0 HA3 GLY A 36 -4.192 19.983 17.599 1.00 19.15 H new ATOM 559 N LYS A 37 -3.820 16.898 17.581 1.00 73.47 N ATOM 560 CA LYS A 37 -4.499 15.591 17.901 1.00 73.47 C ATOM 561 C LYS A 37 -4.441 15.363 19.428 1.00 73.47 C ATOM 562 O LYS A 37 -3.575 15.871 20.086 1.00 73.47 O ATOM 563 CB LYS A 37 -3.781 14.451 17.169 1.00 73.47 C ATOM 564 CG LYS A 37 -4.785 13.367 16.763 1.00 73.47 C ATOM 565 CD LYS A 37 -4.038 12.217 16.087 1.00 73.47 C ATOM 566 CE LYS A 37 -5.038 11.281 15.407 1.00 73.47 C ATOM 567 NZ LYS A 37 -5.667 11.979 14.249 1.00 73.47 N ATOM 0 H LYS A 37 -3.160 16.877 16.803 1.00 73.47 H new ATOM 0 HA LYS A 37 -5.539 15.617 17.576 1.00 73.47 H new ATOM 0 HB2 LYS A 37 -3.276 14.839 16.284 1.00 73.47 H new ATOM 0 HB3 LYS A 37 -3.013 14.023 17.813 1.00 73.47 H new ATOM 0 HG2 LYS A 37 -5.320 13.003 17.640 1.00 73.47 H new ATOM 0 HG3 LYS A 37 -5.531 13.781 16.084 1.00 73.47 H new ATOM 0 HD2 LYS A 37 -3.335 12.609 15.352 1.00 73.47 H new ATOM 0 HD3 LYS A 37 -3.454 11.667 16.825 1.00 73.47 H new ATOM 0 HE2 LYS A 37 -4.533 10.376 15.069 1.00 73.47 H new ATOM 0 HE3 LYS A 37 -5.804 10.972 16.118 1.00 73.47 H new ATOM 0 HZ1 LYS A 37 -5.996 11.276 13.557 1.00 73.47 H new ATOM 0 HZ2 LYS A 37 -6.475 12.543 14.581 1.00 73.47 H new ATOM 0 HZ3 LYS A 37 -4.969 12.605 13.800 1.00 73.47 H new ATOM 581 N ARG A 38 -5.348 14.613 20.003 1.00160.56 N ATOM 582 CA ARG A 38 -5.303 14.385 21.497 1.00160.56 C ATOM 583 C ARG A 38 -5.162 12.888 21.789 1.00160.56 C ATOM 584 O ARG A 38 -5.660 12.049 21.064 1.00160.56 O ATOM 585 CB ARG A 38 -6.587 14.910 22.165 1.00160.56 C ATOM 586 CG ARG A 38 -6.928 16.331 21.667 1.00160.56 C ATOM 587 CD ARG A 38 -6.490 17.397 22.688 1.00160.56 C ATOM 588 NE ARG A 38 -5.745 18.472 21.977 1.00160.56 N ATOM 589 CZ ARG A 38 -6.354 19.203 21.082 1.00160.56 C ATOM 590 NH1 ARG A 38 -7.623 19.014 20.843 1.00160.56 N ATOM 591 NH2 ARG A 38 -5.697 20.123 20.431 1.00160.56 N ATOM 0 H ARG A 38 -6.114 14.149 19.515 1.00160.56 H new ATOM 0 HA ARG A 38 -4.446 14.924 21.901 1.00160.56 H new ATOM 0 HB2 ARG A 38 -7.416 14.236 21.948 1.00160.56 H new ATOM 0 HB3 ARG A 38 -6.460 14.921 23.248 1.00160.56 H new ATOM 0 HG2 ARG A 38 -6.435 16.513 20.712 1.00160.56 H new ATOM 0 HG3 ARG A 38 -8.001 16.410 21.492 1.00160.56 H new ATOM 0 HD2 ARG A 38 -7.361 17.814 23.194 1.00160.56 H new ATOM 0 HD3 ARG A 38 -5.860 16.947 23.456 1.00160.56 H new ATOM 0 HE ARG A 38 -4.761 18.637 22.188 1.00160.56 H new ATOM 0 HH11 ARG A 38 -8.137 18.297 21.355 1.00160.56 H new ATOM 0 HH12 ARG A 38 -8.101 19.584 20.145 1.00160.56 H new ATOM 0 HH21 ARG A 38 -4.706 20.273 20.620 1.00160.56 H new ATOM 0 HH22 ARG A 38 -6.174 20.693 19.732 1.00160.56 H new ATOM 605 N PHE A 39 -4.480 12.551 22.869 1.00 72.45 N ATOM 606 CA PHE A 39 -4.284 11.116 23.244 1.00 72.45 C ATOM 607 C PHE A 39 -4.692 10.913 24.702 1.00 72.45 C ATOM 608 O PHE A 39 -4.962 11.860 25.425 1.00 72.45 O ATOM 609 CB PHE A 39 -2.809 10.738 23.100 1.00 72.45 C ATOM 610 CG PHE A 39 -2.380 10.957 21.680 1.00 72.45 C ATOM 611 CD1 PHE A 39 -2.002 12.233 21.260 1.00 72.45 C ATOM 612 CD2 PHE A 39 -2.373 9.887 20.782 1.00 72.45 C ATOM 613 CE1 PHE A 39 -1.618 12.445 19.936 1.00 72.45 C ATOM 614 CE2 PHE A 39 -1.987 10.095 19.457 1.00 72.45 C ATOM 615 CZ PHE A 39 -1.612 11.374 19.032 1.00 72.45 C ATOM 0 H PHE A 39 -4.050 13.220 23.508 1.00 72.45 H new ATOM 0 HA PHE A 39 -4.893 10.493 22.589 1.00 72.45 H new ATOM 0 HB2 PHE A 39 -2.199 11.340 23.774 1.00 72.45 H new ATOM 0 HB3 PHE A 39 -2.659 9.696 23.381 1.00 72.45 H new ATOM 0 HD1 PHE A 39 -2.007 13.056 21.960 1.00 72.45 H new ATOM 0 HD2 PHE A 39 -2.666 8.901 21.112 1.00 72.45 H new ATOM 0 HE1 PHE A 39 -1.326 13.432 19.608 1.00 72.45 H new ATOM 0 HE2 PHE A 39 -1.978 9.270 18.761 1.00 72.45 H new ATOM 0 HZ PHE A 39 -1.317 11.536 18.006 1.00 72.45 H new ATOM 625 N HIS A 40 -4.735 9.679 25.136 1.00 97.77 N ATOM 626 CA HIS A 40 -5.129 9.381 26.542 1.00 97.77 C ATOM 627 C HIS A 40 -3.931 8.892 27.358 1.00 97.77 C ATOM 628 O HIS A 40 -4.022 8.746 28.562 1.00 97.77 O ATOM 629 CB HIS A 40 -6.212 8.303 26.533 1.00 97.77 C ATOM 630 CG HIS A 40 -5.887 7.283 25.478 1.00 97.77 C ATOM 631 ND1 HIS A 40 -5.754 7.620 24.140 1.00 97.77 N ATOM 632 CD2 HIS A 40 -5.661 5.930 25.547 1.00 97.77 C ATOM 633 CE1 HIS A 40 -5.463 6.494 23.465 1.00 97.77 C ATOM 634 NE2 HIS A 40 -5.394 5.435 24.274 1.00 97.77 N ATOM 0 H HIS A 40 -4.512 8.860 24.570 1.00 97.77 H new ATOM 0 HA HIS A 40 -5.504 10.295 27.003 1.00 97.77 H new ATOM 0 HB2 HIS A 40 -6.274 7.825 27.511 1.00 97.77 H new ATOM 0 HB3 HIS A 40 -7.186 8.751 26.335 1.00 97.77 H new ATOM 0 HD2 HIS A 40 -5.687 5.340 26.451 1.00 97.77 H new ATOM 0 HE1 HIS A 40 -5.304 6.452 22.398 1.00 97.77 H new ATOM 0 HE2 HIS A 40 -5.189 4.470 24.015 1.00 97.77 H new ATOM 642 N GLN A 41 -2.807 8.635 26.735 1.00106.11 N ATOM 643 CA GLN A 41 -1.627 8.155 27.521 1.00106.11 C ATOM 644 C GLN A 41 -0.404 9.016 27.194 1.00106.11 C ATOM 645 O GLN A 41 -0.018 9.149 26.053 1.00106.11 O ATOM 646 CB GLN A 41 -1.343 6.696 27.166 1.00106.11 C ATOM 647 CG GLN A 41 -2.608 5.863 27.392 1.00106.11 C ATOM 648 CD GLN A 41 -2.325 4.396 27.062 1.00106.11 C ATOM 649 OE1 GLN A 41 -1.256 4.059 26.597 1.00106.11 O ATOM 650 NE2 GLN A 41 -3.251 3.503 27.287 1.00106.11 N ATOM 0 H GLN A 41 -2.656 8.735 25.731 1.00106.11 H new ATOM 0 HA GLN A 41 -1.842 8.234 28.587 1.00106.11 H new ATOM 0 HB2 GLN A 41 -1.024 6.618 26.127 1.00106.11 H new ATOM 0 HB3 GLN A 41 -0.527 6.313 27.779 1.00106.11 H new ATOM 0 HG2 GLN A 41 -2.936 5.956 28.427 1.00106.11 H new ATOM 0 HG3 GLN A 41 -3.418 6.237 26.766 1.00106.11 H new ATOM 0 HE21 GLN A 41 -4.149 3.787 27.678 1.00106.11 H new ATOM 0 HE22 GLN A 41 -3.076 2.521 27.072 1.00106.11 H new ATOM 659 N LYS A 42 0.198 9.620 28.178 1.00136.29 N ATOM 660 CA LYS A 42 1.381 10.489 27.913 1.00136.29 C ATOM 661 C LYS A 42 2.343 9.827 26.921 1.00136.29 C ATOM 662 O LYS A 42 2.541 10.305 25.823 1.00136.29 O ATOM 663 CB LYS A 42 2.141 10.742 29.220 1.00136.29 C ATOM 664 CG LYS A 42 3.258 11.754 28.957 1.00136.29 C ATOM 665 CD LYS A 42 4.012 12.046 30.253 1.00136.29 C ATOM 666 CE LYS A 42 4.852 13.311 30.070 1.00136.29 C ATOM 667 NZ LYS A 42 3.953 14.500 30.032 1.00136.29 N ATOM 0 H LYS A 42 -0.077 9.551 29.158 1.00136.29 H new ATOM 0 HA LYS A 42 1.017 11.426 27.491 1.00136.29 H new ATOM 0 HB2 LYS A 42 1.462 11.121 29.984 1.00136.29 H new ATOM 0 HB3 LYS A 42 2.559 9.810 29.599 1.00136.29 H new ATOM 0 HG2 LYS A 42 3.945 11.363 28.207 1.00136.29 H new ATOM 0 HG3 LYS A 42 2.838 12.676 28.555 1.00136.29 H new ATOM 0 HD2 LYS A 42 3.309 12.177 31.075 1.00136.29 H new ATOM 0 HD3 LYS A 42 4.653 11.204 30.513 1.00136.29 H new ATOM 0 HE2 LYS A 42 5.567 13.408 30.887 1.00136.29 H new ATOM 0 HE3 LYS A 42 5.429 13.248 29.147 1.00136.29 H new ATOM 0 HZ1 LYS A 42 4.482 15.345 30.330 1.00136.29 H new ATOM 0 HZ2 LYS A 42 3.599 14.637 29.064 1.00136.29 H new ATOM 0 HZ3 LYS A 42 3.150 14.349 30.676 1.00136.29 H new ATOM 681 N SER A 43 2.950 8.741 27.307 1.00 65.22 N ATOM 682 CA SER A 43 3.916 8.047 26.408 1.00 65.22 C ATOM 683 C SER A 43 3.340 7.887 24.999 1.00 65.22 C ATOM 684 O SER A 43 4.060 7.950 24.024 1.00 65.22 O ATOM 685 CB SER A 43 4.219 6.674 26.995 1.00 65.22 C ATOM 686 OG SER A 43 4.947 5.918 26.042 1.00 65.22 O ATOM 0 H SER A 43 2.817 8.299 28.217 1.00 65.22 H new ATOM 0 HA SER A 43 4.826 8.643 26.333 1.00 65.22 H new ATOM 0 HB2 SER A 43 4.795 6.776 27.915 1.00 65.22 H new ATOM 0 HB3 SER A 43 3.292 6.162 27.254 1.00 65.22 H new ATOM 0 HG SER A 43 5.148 5.033 26.411 1.00 65.22 H new ATOM 692 N ASP A 44 2.057 7.707 24.877 1.00 40.66 N ATOM 693 CA ASP A 44 1.469 7.575 23.513 1.00 40.66 C ATOM 694 C ASP A 44 1.567 8.928 22.817 1.00 40.66 C ATOM 695 O ASP A 44 1.999 9.012 21.681 1.00 40.66 O ATOM 696 CB ASP A 44 0.015 7.106 23.573 1.00 40.66 C ATOM 697 CG ASP A 44 -0.497 6.914 22.146 1.00 40.66 C ATOM 698 OD1 ASP A 44 0.295 7.081 21.231 1.00 40.66 O ATOM 699 OD2 ASP A 44 -1.663 6.601 21.992 1.00 40.66 O ATOM 0 H ASP A 44 1.395 7.646 25.650 1.00 40.66 H new ATOM 0 HA ASP A 44 2.023 6.822 22.953 1.00 40.66 H new ATOM 0 HB2 ASP A 44 -0.058 6.172 24.130 1.00 40.66 H new ATOM 0 HB3 ASP A 44 -0.597 7.839 24.099 1.00 40.66 H new ATOM 704 N MET A 45 1.232 9.998 23.477 1.00 31.66 N ATOM 705 CA MET A 45 1.381 11.320 22.820 1.00 31.66 C ATOM 706 C MET A 45 2.871 11.520 22.538 1.00 31.66 C ATOM 707 O MET A 45 3.257 11.927 21.471 1.00 31.66 O ATOM 708 CB MET A 45 0.881 12.431 23.757 0.50 31.66 C ATOM 709 CG MET A 45 1.395 13.787 23.264 0.50 31.66 C ATOM 710 SD MET A 45 0.707 15.107 24.288 1.00 31.66 S ATOM 711 CE MET A 45 1.958 15.031 25.591 1.00 31.66 C ATOM 0 H MET A 45 0.867 10.015 24.429 1.00 31.66 H new ATOM 0 HA MET A 45 0.799 11.360 21.899 1.00 31.66 H new ATOM 0 HB2 MET A 45 -0.209 12.433 23.787 0.50 31.66 H new ATOM 0 HB3 MET A 45 1.228 12.247 24.774 0.50 31.66 H new ATOM 0 HG2 MET A 45 2.484 13.811 23.306 0.50 31.66 H new ATOM 0 HG3 MET A 45 1.113 13.937 22.222 0.50 31.66 H new ATOM 0 HE1 MET A 45 1.765 15.811 26.327 1.00 31.66 H new ATOM 0 HE2 MET A 45 1.919 14.056 26.077 1.00 31.66 H new ATOM 0 HE3 MET A 45 2.946 15.180 25.156 1.00 31.66 H new ATOM 721 N LYS A 46 3.714 11.244 23.503 1.00103.12 N ATOM 722 CA LYS A 46 5.173 11.436 23.277 1.00103.12 C ATOM 723 C LYS A 46 5.560 10.705 21.997 1.00103.12 C ATOM 724 O LYS A 46 6.311 11.203 21.183 1.00103.12 O ATOM 725 CB LYS A 46 5.970 10.886 24.462 1.00103.12 C ATOM 726 CG LYS A 46 5.636 11.689 25.733 1.00103.12 C ATOM 727 CD LYS A 46 6.778 12.659 26.068 1.00103.12 C ATOM 728 CE LYS A 46 6.818 13.795 25.042 1.00103.12 C ATOM 729 NZ LYS A 46 7.660 14.907 25.568 1.00103.12 N ATOM 0 H LYS A 46 3.455 10.898 24.427 1.00103.12 H new ATOM 0 HA LYS A 46 5.398 12.498 23.182 1.00103.12 H new ATOM 0 HB2 LYS A 46 5.734 9.833 24.614 1.00103.12 H new ATOM 0 HB3 LYS A 46 7.038 10.946 24.253 1.00103.12 H new ATOM 0 HG2 LYS A 46 4.709 12.244 25.587 1.00103.12 H new ATOM 0 HG3 LYS A 46 5.471 11.008 26.568 1.00103.12 H new ATOM 0 HD2 LYS A 46 6.638 13.067 27.069 1.00103.12 H new ATOM 0 HD3 LYS A 46 7.729 12.127 26.071 1.00103.12 H new ATOM 0 HE2 LYS A 46 7.223 13.433 24.097 1.00103.12 H new ATOM 0 HE3 LYS A 46 5.809 14.153 24.839 1.00103.12 H new ATOM 0 HZ1 LYS A 46 7.689 15.680 24.873 1.00103.12 H new ATOM 0 HZ2 LYS A 46 7.255 15.258 26.459 1.00103.12 H new ATOM 0 HZ3 LYS A 46 8.625 14.560 25.740 1.00103.12 H new ATOM 743 N LYS A 47 5.021 9.535 21.796 1.00 48.51 N ATOM 744 CA LYS A 47 5.333 8.793 20.548 1.00 48.51 C ATOM 745 C LYS A 47 4.809 9.625 19.384 1.00 48.51 C ATOM 746 O LYS A 47 5.390 9.691 18.312 1.00 48.51 O ATOM 747 CB LYS A 47 4.638 7.427 20.560 1.00 48.51 C ATOM 748 CG LYS A 47 5.439 6.444 21.419 1.00 48.51 C ATOM 749 CD LYS A 47 4.880 5.026 21.244 1.00 48.51 C ATOM 750 CE LYS A 47 3.603 4.847 22.072 1.00 48.51 C ATOM 751 NZ LYS A 47 3.321 3.392 22.244 1.00 48.51 N ATOM 0 H LYS A 47 4.383 9.065 22.438 1.00 48.51 H new ATOM 0 HA LYS A 47 6.407 8.628 20.458 1.00 48.51 H new ATOM 0 HB2 LYS A 47 3.626 7.527 20.953 1.00 48.51 H new ATOM 0 HB3 LYS A 47 4.548 7.046 19.543 1.00 48.51 H new ATOM 0 HG2 LYS A 47 6.490 6.468 21.132 1.00 48.51 H new ATOM 0 HG3 LYS A 47 5.388 6.738 22.467 1.00 48.51 H new ATOM 0 HD2 LYS A 47 4.667 4.840 20.191 1.00 48.51 H new ATOM 0 HD3 LYS A 47 5.626 4.294 21.553 1.00 48.51 H new ATOM 0 HE2 LYS A 47 3.718 5.323 23.046 1.00 48.51 H new ATOM 0 HE3 LYS A 47 2.764 5.335 21.576 1.00 48.51 H new ATOM 0 HZ1 LYS A 47 2.454 3.270 22.806 1.00 48.51 H new ATOM 0 HZ2 LYS A 47 3.194 2.950 21.311 1.00 48.51 H new ATOM 0 HZ3 LYS A 47 4.118 2.940 22.735 1.00 48.51 H new ATOM 765 N HIS A 48 3.734 10.317 19.622 1.00 65.66 N ATOM 766 CA HIS A 48 3.173 11.199 18.581 1.00 65.66 C ATOM 767 C HIS A 48 4.159 12.367 18.411 1.00 65.66 C ATOM 768 O HIS A 48 4.824 12.512 17.394 1.00 65.66 O ATOM 769 CB HIS A 48 1.798 11.680 19.064 1.00 65.66 C ATOM 770 CG HIS A 48 1.187 12.569 18.042 1.00 65.66 C ATOM 771 ND1 HIS A 48 0.341 12.107 17.026 1.00 65.66 N ATOM 772 CD2 HIS A 48 1.303 13.907 17.857 1.00 65.66 C ATOM 773 CE1 HIS A 48 -0.008 13.175 16.280 1.00 65.66 C ATOM 774 NE2 HIS A 48 0.560 14.261 16.769 1.00 65.66 N ATOM 0 H HIS A 48 3.219 10.306 20.503 1.00 65.66 H new ATOM 0 HA HIS A 48 3.041 10.698 17.622 1.00 65.66 H new ATOM 0 HB2 HIS A 48 1.148 10.825 19.250 1.00 65.66 H new ATOM 0 HB3 HIS A 48 1.901 12.214 20.009 1.00 65.66 H new ATOM 0 HD1 HIS A 48 0.044 11.142 16.878 1.00 65.66 H new ATOM 0 HD2 HIS A 48 1.886 14.580 18.468 1.00 65.66 H new ATOM 0 HE1 HIS A 48 -0.654 13.146 15.415 1.00 65.66 H new ATOM 782 N THR A 49 4.301 13.178 19.425 1.00 47.02 N ATOM 783 CA THR A 49 5.272 14.303 19.377 1.00 47.02 C ATOM 784 C THR A 49 6.580 13.835 18.744 1.00 47.02 C ATOM 785 O THR A 49 7.289 14.597 18.116 1.00 47.02 O ATOM 786 CB THR A 49 5.589 14.708 20.819 1.00 47.02 C ATOM 787 OG1 THR A 49 5.938 13.543 21.552 1.00 47.02 O ATOM 788 CG2 THR A 49 4.379 15.384 21.479 1.00 47.02 C ATOM 0 H THR A 49 3.776 13.105 20.296 1.00 47.02 H new ATOM 0 HA THR A 49 4.849 15.126 18.801 1.00 47.02 H new ATOM 0 HB THR A 49 6.415 15.419 20.814 1.00 47.02 H new ATOM 0 HG1 THR A 49 6.004 12.780 20.941 1.00 47.02 H new ATOM 0 HG21 THR A 49 4.631 15.662 22.503 1.00 47.02 H new ATOM 0 HG22 THR A 49 4.110 16.278 20.916 1.00 47.02 H new ATOM 0 HG23 THR A 49 3.536 14.693 21.488 1.00 47.02 H new ATOM 796 N PHE A 50 6.909 12.588 18.910 1.00 54.63 N ATOM 797 CA PHE A 50 8.173 12.057 18.333 1.00 54.63 C ATOM 798 C PHE A 50 8.041 11.906 16.810 1.00 54.63 C ATOM 799 O PHE A 50 8.975 12.163 16.077 1.00 54.63 O ATOM 800 CB PHE A 50 8.478 10.704 18.988 1.00 54.63 C ATOM 801 CG PHE A 50 9.211 10.927 20.301 1.00 54.63 C ATOM 802 CD1 PHE A 50 8.915 12.045 21.101 1.00 54.63 C ATOM 803 CD2 PHE A 50 10.189 10.016 20.715 1.00 54.63 C ATOM 804 CE1 PHE A 50 9.597 12.243 22.308 1.00 54.63 C ATOM 805 CE2 PHE A 50 10.870 10.217 21.923 1.00 54.63 C ATOM 806 CZ PHE A 50 10.575 11.331 22.718 1.00 54.63 C ATOM 0 H PHE A 50 6.352 11.907 19.425 1.00 54.63 H new ATOM 0 HA PHE A 50 8.992 12.750 18.529 1.00 54.63 H new ATOM 0 HB2 PHE A 50 7.552 10.157 19.165 1.00 54.63 H new ATOM 0 HB3 PHE A 50 9.086 10.094 18.320 1.00 54.63 H new ATOM 0 HD1 PHE A 50 8.162 12.751 20.784 1.00 54.63 H new ATOM 0 HD2 PHE A 50 10.419 9.157 20.103 1.00 54.63 H new ATOM 0 HE1 PHE A 50 9.368 13.101 22.923 1.00 54.63 H new ATOM 0 HE2 PHE A 50 11.623 9.512 22.241 1.00 54.63 H new ATOM 0 HZ PHE A 50 11.102 11.486 23.648 1.00 54.63 H new ATOM 816 N ILE A 51 6.881 11.553 16.315 1.00 99.09 N ATOM 817 CA ILE A 51 6.742 11.474 14.829 1.00 99.09 C ATOM 818 C ILE A 51 6.812 12.903 14.281 1.00 99.09 C ATOM 819 O ILE A 51 7.188 13.119 13.146 1.00 99.09 O ATOM 820 CB ILE A 51 5.455 10.749 14.391 1.00 99.09 C ATOM 821 CG1 ILE A 51 4.212 11.611 14.643 1.00 99.09 C ATOM 822 CG2 ILE A 51 5.324 9.426 15.158 1.00 99.09 C ATOM 823 CD1 ILE A 51 3.013 10.970 13.942 1.00 99.09 C ATOM 0 H ILE A 51 6.048 11.322 16.856 1.00 99.09 H new ATOM 0 HA ILE A 51 7.554 10.874 14.418 1.00 99.09 H new ATOM 0 HB ILE A 51 5.523 10.556 13.320 1.00 99.09 H new ATOM 0 HG12 ILE A 51 4.022 11.695 15.713 1.00 99.09 H new ATOM 0 HG13 ILE A 51 4.372 12.622 14.267 1.00 99.09 H new ATOM 0 HG21 ILE A 51 4.413 8.914 14.847 1.00 99.09 H new ATOM 0 HG22 ILE A 51 6.186 8.794 14.944 1.00 99.09 H new ATOM 0 HG23 ILE A 51 5.279 9.629 16.228 1.00 99.09 H new ATOM 0 HD11 ILE A 51 2.124 11.576 14.115 1.00 99.09 H new ATOM 0 HD12 ILE A 51 3.207 10.909 12.871 1.00 99.09 H new ATOM 0 HD13 ILE A 51 2.852 9.968 14.339 1.00 99.09 H new ATOM 835 N HIS A 52 6.524 13.889 15.097 1.00 59.33 N ATOM 836 CA HIS A 52 6.667 15.309 14.613 1.00 59.33 C ATOM 837 C HIS A 52 8.149 15.709 14.678 1.00 59.33 C ATOM 838 O HIS A 52 8.620 16.521 13.909 1.00 59.33 O ATOM 839 CB HIS A 52 5.928 16.289 15.530 1.00 59.33 C ATOM 840 CG HIS A 52 4.467 16.358 15.214 1.00 59.33 C ATOM 841 ND1 HIS A 52 3.944 16.828 13.995 1.00 59.33 N ATOM 842 CD2 HIS A 52 3.398 16.075 15.995 1.00 59.33 C ATOM 843 CE1 HIS A 52 2.589 16.812 14.107 1.00 59.33 C ATOM 844 NE2 HIS A 52 2.248 16.366 15.308 1.00 59.33 N ATOM 0 H HIS A 52 6.202 13.782 16.059 1.00 59.33 H new ATOM 0 HA HIS A 52 6.260 15.353 13.603 1.00 59.33 H new ATOM 0 HB2 HIS A 52 6.061 15.985 16.568 1.00 59.33 H new ATOM 0 HB3 HIS A 52 6.368 17.281 15.430 1.00 59.33 H new ATOM 0 HD1 HIS A 52 4.481 17.125 13.180 1.00 59.33 H new ATOM 0 HD2 HIS A 52 3.444 15.682 17.000 1.00 59.33 H new ATOM 0 HE1 HIS A 52 1.897 17.116 13.336 1.00 59.33 H new ATOM 852 N THR A 53 8.864 15.175 15.641 1.00 97.33 N ATOM 853 CA THR A 53 10.307 15.547 15.834 1.00 97.33 C ATOM 854 C THR A 53 11.247 14.672 14.997 1.00 97.33 C ATOM 855 O THR A 53 12.428 14.934 14.906 1.00 97.33 O ATOM 856 CB THR A 53 10.667 15.339 17.310 1.00 97.33 C ATOM 857 OG1 THR A 53 10.431 13.988 17.676 1.00 97.33 O ATOM 858 CG2 THR A 53 9.817 16.264 18.181 1.00 97.33 C ATOM 0 H THR A 53 8.508 14.491 16.308 1.00 97.33 H new ATOM 0 HA THR A 53 10.429 16.584 15.521 1.00 97.33 H new ATOM 0 HB THR A 53 11.721 15.572 17.459 1.00 97.33 H new ATOM 0 HG1 THR A 53 10.248 13.937 18.637 1.00 97.33 H new ATOM 0 HG21 THR A 53 10.074 16.115 19.230 1.00 97.33 H new ATOM 0 HG22 THR A 53 10.008 17.301 17.905 1.00 97.33 H new ATOM 0 HG23 THR A 53 8.762 16.037 18.031 1.00 97.33 H new ATOM 866 N GLY A 54 10.746 13.608 14.441 1.00 23.68 N ATOM 867 CA GLY A 54 11.615 12.673 13.667 1.00 23.68 C ATOM 868 C GLY A 54 12.320 11.751 14.666 1.00 23.68 C ATOM 869 O GLY A 54 13.352 11.173 14.382 1.00 23.68 O ATOM 0 H GLY A 54 9.763 13.341 14.488 1.00 23.68 H new ATOM 0 HA2 GLY A 54 11.018 12.090 12.965 1.00 23.68 H new ATOM 0 HA3 GLY A 54 12.346 13.229 13.079 1.00 23.68 H new ATOM 873 N GLU A 55 11.789 11.650 15.855 1.00 47.26 N ATOM 874 CA GLU A 55 12.435 10.820 16.902 1.00 47.26 C ATOM 875 C GLU A 55 12.129 9.340 16.690 1.00 47.26 C ATOM 876 O GLU A 55 10.996 8.933 16.520 1.00 47.26 O ATOM 877 CB GLU A 55 11.930 11.268 18.275 1.00 47.26 C ATOM 878 CG GLU A 55 12.722 12.494 18.740 1.00 47.26 C ATOM 879 CD GLU A 55 12.082 13.071 20.002 1.00 47.26 C ATOM 880 OE1 GLU A 55 10.884 13.299 19.983 1.00 47.26 O ATOM 881 OE2 GLU A 55 12.801 13.281 20.964 1.00 47.26 O ATOM 0 H GLU A 55 10.927 12.113 16.144 1.00 47.26 H new ATOM 0 HA GLU A 55 13.515 10.952 16.843 1.00 47.26 H new ATOM 0 HB2 GLU A 55 10.868 11.507 18.222 1.00 47.26 H new ATOM 0 HB3 GLU A 55 12.039 10.458 18.996 1.00 47.26 H new ATOM 0 HG2 GLU A 55 13.757 12.216 18.940 1.00 47.26 H new ATOM 0 HG3 GLU A 55 12.740 13.247 17.953 1.00 47.26 H new ATOM 888 N LYS A 56 13.159 8.540 16.712 1.00 86.79 N ATOM 889 CA LYS A 56 12.999 7.070 16.526 1.00 86.79 C ATOM 890 C LYS A 56 14.044 6.339 17.383 1.00 86.79 C ATOM 891 O LYS A 56 14.906 5.653 16.869 1.00 86.79 O ATOM 892 CB LYS A 56 13.209 6.722 15.050 1.00 86.79 C ATOM 893 CG LYS A 56 11.998 7.196 14.240 1.00 86.79 C ATOM 894 CD LYS A 56 12.231 6.916 12.754 1.00 86.79 C ATOM 895 CE LYS A 56 10.901 6.983 12.002 1.00 86.79 C ATOM 896 NZ LYS A 56 10.139 8.184 12.441 1.00 86.79 N ATOM 0 H LYS A 56 14.121 8.848 16.853 1.00 86.79 H new ATOM 0 HA LYS A 56 11.998 6.763 16.831 1.00 86.79 H new ATOM 0 HB2 LYS A 56 14.117 7.196 14.679 1.00 86.79 H new ATOM 0 HB3 LYS A 56 13.340 5.646 14.933 1.00 86.79 H new ATOM 0 HG2 LYS A 56 11.098 6.684 14.580 1.00 86.79 H new ATOM 0 HG3 LYS A 56 11.837 8.262 14.398 1.00 86.79 H new ATOM 0 HD2 LYS A 56 12.930 7.644 12.342 1.00 86.79 H new ATOM 0 HD3 LYS A 56 12.683 5.932 12.626 1.00 86.79 H new ATOM 0 HE2 LYS A 56 11.081 7.027 10.928 1.00 86.79 H new ATOM 0 HE3 LYS A 56 10.319 6.081 12.191 1.00 86.79 H new ATOM 0 HZ1 LYS A 56 9.436 8.433 11.716 1.00 86.79 H new ATOM 0 HZ2 LYS A 56 9.654 7.979 13.338 1.00 86.79 H new ATOM 0 HZ3 LYS A 56 10.794 8.980 12.576 1.00 86.79 H new ATOM 910 N PRO A 57 13.973 6.500 18.682 1.00151.44 N ATOM 911 CA PRO A 57 14.933 5.859 19.642 1.00151.44 C ATOM 912 C PRO A 57 15.054 4.343 19.457 1.00151.44 C ATOM 913 O PRO A 57 15.986 3.728 19.945 1.00151.44 O ATOM 914 CB PRO A 57 14.362 6.192 21.032 1.00151.44 C ATOM 915 CG PRO A 57 12.977 6.714 20.792 1.00151.44 C ATOM 916 CD PRO A 57 12.973 7.309 19.389 1.00151.44 C ATOM 0 HA PRO A 57 15.944 6.235 19.487 1.00151.44 H new ATOM 0 HB2 PRO A 57 14.341 5.307 21.668 1.00151.44 H new ATOM 0 HB3 PRO A 57 14.977 6.935 21.539 1.00151.44 H new ATOM 0 HG2 PRO A 57 12.242 5.914 20.876 1.00151.44 H new ATOM 0 HG3 PRO A 57 12.713 7.468 21.533 1.00151.44 H new ATOM 0 HD2 PRO A 57 11.991 7.234 18.922 1.00151.44 H new ATOM 0 HD3 PRO A 57 13.242 8.365 19.398 1.00151.44 H new ATOM 924 N HIS A 58 14.145 3.731 18.756 1.00 42.67 N ATOM 925 CA HIS A 58 14.256 2.261 18.558 1.00 42.67 C ATOM 926 C HIS A 58 14.975 1.992 17.227 1.00 42.67 C ATOM 927 O HIS A 58 14.377 2.010 16.173 1.00 42.67 O ATOM 928 CB HIS A 58 12.856 1.652 18.558 1.00 42.67 C ATOM 929 CG HIS A 58 12.190 1.981 19.865 1.00 42.67 C ATOM 930 ND1 HIS A 58 12.516 1.328 21.044 1.00 42.67 N ATOM 931 CD2 HIS A 58 11.234 2.906 20.201 1.00 42.67 C ATOM 932 CE1 HIS A 58 11.767 1.865 22.024 1.00 42.67 C ATOM 933 NE2 HIS A 58 10.968 2.831 21.564 1.00 42.67 N ATOM 0 H HIS A 58 13.340 4.177 18.316 1.00 42.67 H new ATOM 0 HA HIS A 58 14.832 1.806 19.364 1.00 42.67 H new ATOM 0 HB2 HIS A 58 12.272 2.046 17.726 1.00 42.67 H new ATOM 0 HB3 HIS A 58 12.913 0.572 18.424 1.00 42.67 H new ATOM 0 HD2 HIS A 58 10.760 3.589 19.512 1.00 42.67 H new ATOM 0 HE1 HIS A 58 11.807 1.553 23.057 1.00 42.67 H new ATOM 0 HE2 HIS A 58 10.305 3.393 22.098 1.00 42.67 H new ATOM 941 N LYS A 59 16.264 1.766 17.268 1.00 72.96 N ATOM 942 CA LYS A 59 17.030 1.525 16.010 1.00 72.96 C ATOM 943 C LYS A 59 17.132 0.034 15.722 1.00 72.96 C ATOM 944 O LYS A 59 17.671 -0.726 16.499 1.00 72.96 O ATOM 945 CB LYS A 59 18.440 2.097 16.154 1.00 72.96 C ATOM 946 CG LYS A 59 18.377 3.622 16.261 1.00 72.96 C ATOM 947 CD LYS A 59 19.802 4.179 16.264 1.00 72.96 C ATOM 948 CE LYS A 59 19.765 5.696 16.449 1.00 72.96 C ATOM 949 NZ LYS A 59 21.137 6.249 16.270 1.00 72.96 N ATOM 0 H LYS A 59 16.820 1.738 18.123 1.00 72.96 H new ATOM 0 HA LYS A 59 16.506 2.013 15.188 1.00 72.96 H new ATOM 0 HB2 LYS A 59 18.921 1.682 17.039 1.00 72.96 H new ATOM 0 HB3 LYS A 59 19.048 1.809 15.296 1.00 72.96 H new ATOM 0 HG2 LYS A 59 17.813 4.035 15.425 1.00 72.96 H new ATOM 0 HG3 LYS A 59 17.856 3.915 17.173 1.00 72.96 H new ATOM 0 HD2 LYS A 59 20.380 3.720 17.066 1.00 72.96 H new ATOM 0 HD3 LYS A 59 20.302 3.930 15.328 1.00 72.96 H new ATOM 0 HE2 LYS A 59 19.083 6.145 15.727 1.00 72.96 H new ATOM 0 HE3 LYS A 59 19.388 5.944 17.441 1.00 72.96 H new ATOM 0 HZ1 LYS A 59 21.114 7.281 16.395 1.00 72.96 H new ATOM 0 HZ2 LYS A 59 21.776 5.828 16.975 1.00 72.96 H new ATOM 0 HZ3 LYS A 59 21.480 6.024 15.314 1.00 72.96 H new ATOM 963 N CYS A 60 16.628 -0.382 14.595 1.00 38.91 N ATOM 964 CA CYS A 60 16.694 -1.820 14.216 1.00 38.91 C ATOM 965 C CYS A 60 18.044 -2.408 14.645 1.00 38.91 C ATOM 966 O CYS A 60 18.153 -2.959 15.716 1.00 38.91 O ATOM 967 CB CYS A 60 16.518 -1.914 12.698 1.00 38.91 C ATOM 968 SG CYS A 60 17.057 -3.529 12.102 1.00 38.91 S ATOM 0 H CYS A 60 16.168 0.220 13.912 1.00 38.91 H new ATOM 0 HA CYS A 60 15.908 -2.388 14.714 1.00 38.91 H new ATOM 0 HB2 CYS A 60 15.472 -1.753 12.436 1.00 38.91 H new ATOM 0 HB3 CYS A 60 17.094 -1.128 12.209 1.00 38.91 H new ATOM 0 HG CYS A 60 16.099 -4.082 11.419 1.00 38.91 H new ATOM 973 N GLN A 61 19.051 -2.286 13.805 1.00124.00 N ATOM 974 CA GLN A 61 20.439 -2.810 14.105 1.00124.00 C ATOM 975 C GLN A 61 20.788 -3.884 13.087 1.00124.00 C ATOM 976 O GLN A 61 21.925 -4.279 12.928 1.00124.00 O ATOM 977 CB GLN A 61 20.529 -3.444 15.496 1.00124.00 C ATOM 978 CG GLN A 61 20.404 -2.369 16.578 1.00124.00 C ATOM 979 CD GLN A 61 21.799 -1.970 17.068 1.00124.00 C ATOM 980 OE1 GLN A 61 22.615 -1.504 16.297 1.00124.00 O ATOM 981 NE2 GLN A 61 22.111 -2.139 18.323 1.00124.00 N ATOM 0 H GLN A 61 18.970 -1.832 12.895 1.00124.00 H new ATOM 0 HA GLN A 61 21.126 -1.965 14.061 1.00124.00 H new ATOM 0 HB2 GLN A 61 19.739 -4.185 15.617 1.00124.00 H new ATOM 0 HB3 GLN A 61 21.478 -3.969 15.603 1.00124.00 H new ATOM 0 HG2 GLN A 61 19.884 -1.497 16.181 1.00124.00 H new ATOM 0 HG3 GLN A 61 19.808 -2.744 17.410 1.00124.00 H new ATOM 0 HE21 GLN A 61 21.427 -2.530 18.970 1.00124.00 H new ATOM 0 HE22 GLN A 61 23.039 -1.880 18.657 1.00124.00 H new ATOM 990 N VAL A 62 19.788 -4.371 12.421 1.00 56.07 N ATOM 991 CA VAL A 62 19.967 -5.446 11.420 1.00 56.07 C ATOM 992 C VAL A 62 20.086 -4.844 10.024 1.00 56.07 C ATOM 993 O VAL A 62 21.091 -4.977 9.353 1.00 56.07 O ATOM 994 CB VAL A 62 18.719 -6.327 11.500 1.00 56.07 C ATOM 995 CG1 VAL A 62 18.948 -7.660 10.768 1.00 56.07 C ATOM 996 CG2 VAL A 62 18.415 -6.590 12.982 1.00 56.07 C ATOM 0 H VAL A 62 18.824 -4.058 12.533 1.00 56.07 H new ATOM 0 HA VAL A 62 20.872 -6.021 11.617 1.00 56.07 H new ATOM 0 HB VAL A 62 17.880 -5.821 11.022 1.00 56.07 H new ATOM 0 HG11 VAL A 62 18.049 -8.272 10.837 1.00 56.07 H new ATOM 0 HG12 VAL A 62 19.175 -7.465 9.720 1.00 56.07 H new ATOM 0 HG13 VAL A 62 19.783 -8.189 11.228 1.00 56.07 H new ATOM 0 HG21 VAL A 62 17.528 -7.217 13.066 1.00 56.07 H new ATOM 0 HG22 VAL A 62 19.263 -7.097 13.443 1.00 56.07 H new ATOM 0 HG23 VAL A 62 18.239 -5.642 13.491 1.00 56.07 H new ATOM 1006 N CYS A 63 19.045 -4.194 9.583 1.00 63.83 N ATOM 1007 CA CYS A 63 19.038 -3.586 8.223 1.00 63.83 C ATOM 1008 C CYS A 63 19.291 -2.070 8.278 1.00 63.83 C ATOM 1009 O CYS A 63 19.600 -1.461 7.276 1.00 63.83 O ATOM 1010 CB CYS A 63 17.689 -3.879 7.561 1.00 63.83 C ATOM 1011 SG CYS A 63 16.354 -2.990 8.403 1.00 63.83 S ATOM 0 H CYS A 63 18.186 -4.056 10.116 1.00 63.83 H new ATOM 0 HA CYS A 63 19.846 -4.024 7.637 1.00 63.83 H new ATOM 0 HB2 CYS A 63 17.722 -3.586 6.512 1.00 63.83 H new ATOM 0 HB3 CYS A 63 17.491 -4.951 7.586 1.00 63.83 H new ATOM 0 HG CYS A 63 16.497 -3.110 9.690 1.00 63.83 H new ATOM 1016 N GLY A 64 19.201 -1.453 9.423 1.00 23.81 N ATOM 1017 CA GLY A 64 19.482 0.022 9.511 1.00 23.81 C ATOM 1018 C GLY A 64 18.193 0.847 9.477 1.00 23.81 C ATOM 1019 O GLY A 64 18.205 1.997 9.079 1.00 23.81 O ATOM 0 H GLY A 64 18.946 -1.899 10.304 1.00 23.81 H new ATOM 0 HA2 GLY A 64 20.026 0.235 10.431 1.00 23.81 H new ATOM 0 HA3 GLY A 64 20.127 0.320 8.684 1.00 23.81 H new ATOM 1023 N LYS A 65 17.090 0.310 9.914 1.00120.74 N ATOM 1024 CA LYS A 65 15.831 1.115 9.926 1.00120.74 C ATOM 1025 C LYS A 65 15.552 1.506 11.377 1.00120.74 C ATOM 1026 O LYS A 65 16.151 0.971 12.283 1.00120.74 O ATOM 1027 CB LYS A 65 14.671 0.297 9.340 1.00120.74 C ATOM 1028 CG LYS A 65 13.878 1.153 8.342 1.00120.74 C ATOM 1029 CD LYS A 65 12.757 0.310 7.738 1.00120.74 C ATOM 1030 CE LYS A 65 12.270 0.952 6.439 1.00120.74 C ATOM 1031 NZ LYS A 65 13.288 0.743 5.371 1.00120.74 N ATOM 0 H LYS A 65 17.002 -0.645 10.262 1.00120.74 H new ATOM 0 HA LYS A 65 15.936 2.010 9.312 1.00120.74 H new ATOM 0 HB2 LYS A 65 15.057 -0.593 8.843 1.00120.74 H new ATOM 0 HB3 LYS A 65 14.015 -0.045 10.141 1.00120.74 H new ATOM 0 HG2 LYS A 65 13.462 2.027 8.844 1.00120.74 H new ATOM 0 HG3 LYS A 65 14.537 1.521 7.556 1.00120.74 H new ATOM 0 HD2 LYS A 65 13.114 -0.701 7.543 1.00120.74 H new ATOM 0 HD3 LYS A 65 11.931 0.226 8.445 1.00120.74 H new ATOM 0 HE2 LYS A 65 11.318 0.515 6.139 1.00120.74 H new ATOM 0 HE3 LYS A 65 12.098 2.018 6.589 1.00120.74 H new ATOM 0 HZ1 LYS A 65 12.832 0.812 4.439 1.00120.74 H new ATOM 0 HZ2 LYS A 65 14.028 1.470 5.450 1.00120.74 H new ATOM 0 HZ3 LYS A 65 13.715 -0.199 5.478 1.00120.74 H new ATOM 1045 N ALA A 66 14.694 2.467 11.613 1.00 39.51 N ATOM 1046 CA ALA A 66 14.447 2.912 13.025 1.00 39.51 C ATOM 1047 C ALA A 66 12.946 3.062 13.314 1.00 39.51 C ATOM 1048 O ALA A 66 12.123 3.069 12.419 1.00 39.51 O ATOM 1049 CB ALA A 66 15.136 4.259 13.246 1.00 39.51 C ATOM 0 H ALA A 66 14.157 2.960 10.899 1.00 39.51 H new ATOM 0 HA ALA A 66 14.849 2.156 13.699 1.00 39.51 H new ATOM 0 HB1 ALA A 66 14.963 4.592 14.269 1.00 39.51 H new ATOM 0 HB2 ALA A 66 16.207 4.152 13.075 1.00 39.51 H new ATOM 0 HB3 ALA A 66 14.729 4.994 12.551 1.00 39.51 H new ATOM 1055 N PHE A 67 12.590 3.111 14.577 1.00 62.57 N ATOM 1056 CA PHE A 67 11.139 3.191 14.930 1.00 62.57 C ATOM 1057 C PHE A 67 10.858 4.034 16.181 1.00 62.57 C ATOM 1058 O PHE A 67 11.631 4.089 17.123 1.00 62.57 O ATOM 1059 CB PHE A 67 10.638 1.772 15.150 1.00 62.57 C ATOM 1060 CG PHE A 67 10.962 0.984 13.913 1.00 62.57 C ATOM 1061 CD1 PHE A 67 10.052 0.948 12.855 1.00 62.57 C ATOM 1062 CD2 PHE A 67 12.185 0.310 13.815 1.00 62.57 C ATOM 1063 CE1 PHE A 67 10.361 0.236 11.693 1.00 62.57 C ATOM 1064 CE2 PHE A 67 12.497 -0.400 12.650 1.00 62.57 C ATOM 1065 CZ PHE A 67 11.584 -0.436 11.589 1.00 62.57 C ATOM 0 H PHE A 67 13.234 3.099 15.368 1.00 62.57 H new ATOM 0 HA PHE A 67 10.620 3.687 14.109 1.00 62.57 H new ATOM 0 HB2 PHE A 67 11.115 1.328 16.024 1.00 62.57 H new ATOM 0 HB3 PHE A 67 9.564 1.769 15.337 1.00 62.57 H new ATOM 0 HD1 PHE A 67 9.110 1.470 12.934 1.00 62.57 H new ATOM 0 HD2 PHE A 67 12.886 0.338 14.636 1.00 62.57 H new ATOM 0 HE1 PHE A 67 9.656 0.204 10.875 1.00 62.57 H new ATOM 0 HE2 PHE A 67 13.441 -0.919 12.569 1.00 62.57 H new ATOM 0 HZ PHE A 67 11.824 -0.983 10.689 1.00 62.57 H new ATOM 1075 N SER A 68 9.724 4.683 16.173 1.00 84.84 N ATOM 1076 CA SER A 68 9.308 5.527 17.323 1.00 84.84 C ATOM 1077 C SER A 68 8.698 4.638 18.403 1.00 84.84 C ATOM 1078 O SER A 68 8.441 5.082 19.505 1.00 84.84 O ATOM 1079 CB SER A 68 8.249 6.530 16.859 1.00 84.84 C ATOM 1080 OG SER A 68 7.130 5.823 16.337 1.00 84.84 O ATOM 0 H SER A 68 9.058 4.661 15.401 1.00 84.84 H new ATOM 0 HA SER A 68 10.175 6.056 17.718 1.00 84.84 H new ATOM 0 HB2 SER A 68 7.939 7.161 17.692 1.00 84.84 H new ATOM 0 HB3 SER A 68 8.665 7.190 16.097 1.00 84.84 H new ATOM 0 HG SER A 68 6.449 6.462 16.040 1.00 84.84 H new ATOM 1086 N GLN A 69 8.437 3.389 18.095 1.00 93.39 N ATOM 1087 CA GLN A 69 7.813 2.495 19.115 1.00 93.39 C ATOM 1088 C GLN A 69 8.538 1.146 19.167 1.00 93.39 C ATOM 1089 O GLN A 69 8.987 0.621 18.162 1.00 93.39 O ATOM 1090 CB GLN A 69 6.347 2.259 18.746 1.00 93.39 C ATOM 1091 CG GLN A 69 5.809 3.467 17.977 1.00 93.39 C ATOM 1092 CD GLN A 69 4.300 3.317 17.787 1.00 93.39 C ATOM 1093 OE1 GLN A 69 3.602 2.902 18.691 1.00 93.39 O ATOM 1094 NE2 GLN A 69 3.763 3.636 16.639 1.00 93.39 N ATOM 0 H GLN A 69 8.628 2.956 17.191 1.00 93.39 H new ATOM 0 HA GLN A 69 7.887 2.973 20.092 1.00 93.39 H new ATOM 0 HB2 GLN A 69 6.255 1.359 18.139 1.00 93.39 H new ATOM 0 HB3 GLN A 69 5.756 2.097 19.648 1.00 93.39 H new ATOM 0 HG2 GLN A 69 6.029 4.386 18.521 1.00 93.39 H new ATOM 0 HG3 GLN A 69 6.303 3.545 17.008 1.00 93.39 H new ATOM 0 HE21 GLN A 69 4.350 3.984 15.881 1.00 93.39 H new ATOM 0 HE22 GLN A 69 2.757 3.537 16.501 1.00 93.39 H new ATOM 1103 N SER A 70 8.636 0.572 20.332 1.00 67.34 N ATOM 1104 CA SER A 70 9.311 -0.747 20.442 1.00 67.34 C ATOM 1105 C SER A 70 8.428 -1.812 19.815 1.00 67.34 C ATOM 1106 O SER A 70 8.884 -2.605 19.043 1.00 67.34 O ATOM 1107 CB SER A 70 9.553 -1.117 21.897 1.00 67.34 C ATOM 1108 OG SER A 70 10.143 -0.024 22.575 1.00 67.34 O ATOM 0 H SER A 70 8.280 0.957 21.207 1.00 67.34 H new ATOM 0 HA SER A 70 10.270 -0.685 19.928 1.00 67.34 H new ATOM 0 HB2 SER A 70 8.612 -1.388 22.375 1.00 67.34 H new ATOM 0 HB3 SER A 70 10.204 -1.989 21.957 1.00 67.34 H new ATOM 0 HG SER A 70 10.297 -0.265 23.512 1.00 67.34 H new ATOM 1114 N SER A 71 7.170 -1.832 20.135 1.00 68.68 N ATOM 1115 CA SER A 71 6.279 -2.852 19.537 1.00 68.68 C ATOM 1116 C SER A 71 6.472 -2.839 18.024 1.00 68.68 C ATOM 1117 O SER A 71 6.391 -3.865 17.372 1.00 68.68 O ATOM 1118 CB SER A 71 4.830 -2.532 19.891 1.00 68.68 C ATOM 1119 OG SER A 71 4.370 -3.472 20.852 1.00 68.68 O ATOM 0 H SER A 71 6.721 -1.186 20.785 1.00 68.68 H new ATOM 0 HA SER A 71 6.521 -3.841 19.925 1.00 68.68 H new ATOM 0 HB2 SER A 71 4.754 -1.520 20.288 1.00 68.68 H new ATOM 0 HB3 SER A 71 4.207 -2.571 18.998 1.00 68.68 H new ATOM 0 HG SER A 71 3.440 -3.272 21.086 1.00 68.68 H new ATOM 1125 N ASN A 72 6.745 -1.699 17.451 1.00 33.83 N ATOM 1126 CA ASN A 72 6.962 -1.660 15.983 1.00 33.83 C ATOM 1127 C ASN A 72 8.368 -2.193 15.689 1.00 33.83 C ATOM 1128 O ASN A 72 8.587 -2.875 14.705 1.00 33.83 O ATOM 1129 CB ASN A 72 6.817 -0.224 15.466 1.00 33.83 C ATOM 1130 CG ASN A 72 6.548 -0.256 13.956 1.00 33.83 C ATOM 1131 OD1 ASN A 72 6.849 -1.233 13.302 1.00 33.83 O ATOM 1132 ND2 ASN A 72 5.989 0.771 13.372 1.00 33.83 N ATOM 0 H ASN A 72 6.826 -0.803 17.932 1.00 33.83 H new ATOM 0 HA ASN A 72 6.219 -2.277 15.478 1.00 33.83 H new ATOM 0 HB2 ASN A 72 6.000 0.280 15.982 1.00 33.83 H new ATOM 0 HB3 ASN A 72 7.724 0.343 15.674 1.00 33.83 H new ATOM 0 HD21 ASN A 72 5.807 0.750 12.369 1.00 33.83 H new ATOM 0 HD22 ASN A 72 5.735 1.593 13.920 1.00 33.83 H new ATOM 1139 N LEU A 73 9.314 -1.941 16.563 1.00 75.65 N ATOM 1140 CA LEU A 73 10.684 -2.490 16.347 1.00 75.65 C ATOM 1141 C LEU A 73 10.644 -3.999 16.632 1.00 75.65 C ATOM 1142 O LEU A 73 11.242 -4.778 15.933 1.00 75.65 O ATOM 1143 CB LEU A 73 11.691 -1.802 17.273 1.00 75.65 C ATOM 1144 CG LEU A 73 13.027 -2.566 17.283 1.00 75.65 C ATOM 1145 CD1 LEU A 73 13.569 -2.728 15.858 1.00 75.65 C ATOM 1146 CD2 LEU A 73 14.055 -1.794 18.117 1.00 75.65 C ATOM 0 H LEU A 73 9.195 -1.383 17.409 1.00 75.65 H new ATOM 0 HA LEU A 73 10.999 -2.309 15.319 1.00 75.65 H new ATOM 0 HB2 LEU A 73 11.855 -0.776 16.943 1.00 75.65 H new ATOM 0 HB3 LEU A 73 11.287 -1.751 18.284 1.00 75.65 H new ATOM 0 HG LEU A 73 12.855 -3.552 17.715 1.00 75.65 H new ATOM 0 HD11 LEU A 73 14.514 -3.271 15.888 1.00 75.65 H new ATOM 0 HD12 LEU A 73 12.850 -3.284 15.256 1.00 75.65 H new ATOM 0 HD13 LEU A 73 13.729 -1.745 15.416 1.00 75.65 H new ATOM 0 HD21 LEU A 73 15.000 -2.337 18.123 1.00 75.65 H new ATOM 0 HD22 LEU A 73 14.207 -0.806 17.683 1.00 75.65 H new ATOM 0 HD23 LEU A 73 13.690 -1.690 19.139 1.00 75.65 H new ATOM 1158 N ILE A 74 9.923 -4.420 17.637 1.00 27.72 N ATOM 1159 CA ILE A 74 9.799 -5.868 17.944 1.00 27.72 C ATOM 1160 C ILE A 74 9.238 -6.580 16.719 1.00 27.72 C ATOM 1161 O ILE A 74 9.820 -7.522 16.229 1.00 27.72 O ATOM 1162 CB ILE A 74 8.834 -6.028 19.125 1.00 27.72 C ATOM 1163 CG1 ILE A 74 9.429 -5.326 20.345 1.00 27.72 C ATOM 1164 CG2 ILE A 74 8.637 -7.510 19.452 1.00 27.72 C ATOM 1165 CD1 ILE A 74 8.371 -5.191 21.443 1.00 27.72 C ATOM 0 H ILE A 74 9.407 -3.807 18.268 1.00 27.72 H new ATOM 0 HA ILE A 74 10.769 -6.296 18.199 1.00 27.72 H new ATOM 0 HB ILE A 74 7.871 -5.590 18.863 1.00 27.72 H new ATOM 0 HG12 ILE A 74 10.282 -5.891 20.719 1.00 27.72 H new ATOM 0 HG13 ILE A 74 9.799 -4.340 20.063 1.00 27.72 H new ATOM 0 HG21 ILE A 74 7.950 -7.609 20.292 1.00 27.72 H new ATOM 0 HG22 ILE A 74 8.224 -8.023 18.583 1.00 27.72 H new ATOM 0 HG23 ILE A 74 9.597 -7.956 19.714 1.00 27.72 H new ATOM 0 HD11 ILE A 74 8.806 -4.689 22.308 1.00 27.72 H new ATOM 0 HD12 ILE A 74 7.531 -4.606 21.069 1.00 27.72 H new ATOM 0 HD13 ILE A 74 8.022 -6.181 21.736 1.00 27.72 H new ATOM 1177 N THR A 75 8.121 -6.137 16.200 1.00 95.20 N ATOM 1178 CA THR A 75 7.563 -6.809 14.997 1.00 95.20 C ATOM 1179 C THR A 75 8.599 -6.732 13.879 1.00 95.20 C ATOM 1180 O THR A 75 8.862 -7.686 13.174 1.00 95.20 O ATOM 1181 CB THR A 75 6.279 -6.100 14.560 1.00 95.20 C ATOM 1182 OG1 THR A 75 5.325 -6.170 15.610 1.00 95.20 O ATOM 1183 CG2 THR A 75 5.716 -6.779 13.310 1.00 95.20 C ATOM 0 H THR A 75 7.580 -5.349 16.555 1.00 95.20 H new ATOM 0 HA THR A 75 7.331 -7.850 15.222 1.00 95.20 H new ATOM 0 HB THR A 75 6.498 -5.057 14.333 1.00 95.20 H new ATOM 0 HG1 THR A 75 5.534 -5.494 16.288 1.00 95.20 H new ATOM 0 HG21 THR A 75 4.802 -6.272 13.001 1.00 95.20 H new ATOM 0 HG22 THR A 75 6.450 -6.726 12.506 1.00 95.20 H new ATOM 0 HG23 THR A 75 5.495 -7.823 13.531 1.00 95.20 H new ATOM 1191 N HIS A 76 9.194 -5.582 13.728 1.00 66.30 N ATOM 1192 CA HIS A 76 10.229 -5.398 12.678 1.00 66.30 C ATOM 1193 C HIS A 76 11.357 -6.417 12.932 1.00 66.30 C ATOM 1194 O HIS A 76 11.852 -7.097 12.031 1.00 66.30 O ATOM 1195 CB HIS A 76 10.752 -3.950 12.783 1.00 66.30 C ATOM 1196 CG HIS A 76 11.894 -3.740 11.840 1.00 66.30 C ATOM 1197 ND1 HIS A 76 11.738 -3.132 10.588 1.00 66.30 N ATOM 1198 CD2 HIS A 76 13.205 -4.111 11.923 1.00 66.30 C ATOM 1199 CE1 HIS A 76 12.935 -3.174 9.967 1.00 66.30 C ATOM 1200 NE2 HIS A 76 13.829 -3.754 10.751 1.00 66.30 N ATOM 0 H HIS A 76 9.004 -4.755 14.294 1.00 66.30 H new ATOM 0 HA HIS A 76 9.830 -5.561 11.677 1.00 66.30 H new ATOM 0 HB2 HIS A 76 9.949 -3.249 12.554 1.00 66.30 H new ATOM 0 HB3 HIS A 76 11.073 -3.745 13.804 1.00 66.30 H new ATOM 0 HD1 HIS A 76 10.878 -2.731 10.214 1.00 66.30 H new ATOM 0 HD2 HIS A 76 13.672 -4.601 12.765 1.00 66.30 H new ATOM 0 HE1 HIS A 76 13.134 -2.791 8.977 1.00 66.30 H new ATOM 1208 N SER A 77 11.736 -6.559 14.169 1.00 87.23 N ATOM 1209 CA SER A 77 12.791 -7.530 14.522 1.00 87.23 C ATOM 1210 C SER A 77 12.261 -8.955 14.307 1.00 87.23 C ATOM 1211 O SER A 77 12.984 -9.838 13.895 1.00 87.23 O ATOM 1212 CB SER A 77 13.191 -7.313 15.977 1.00 87.23 C ATOM 1213 OG SER A 77 14.136 -8.302 16.358 1.00 87.23 O ATOM 0 H SER A 77 11.352 -6.035 14.956 1.00 87.23 H new ATOM 0 HA SER A 77 13.667 -7.389 13.889 1.00 87.23 H new ATOM 0 HB2 SER A 77 13.618 -6.318 16.104 1.00 87.23 H new ATOM 0 HB3 SER A 77 12.312 -7.367 16.619 1.00 87.23 H new ATOM 0 HG SER A 77 14.396 -8.163 17.293 1.00 87.23 H new ATOM 1219 N ARG A 78 10.990 -9.178 14.553 1.00 73.27 N ATOM 1220 CA ARG A 78 10.417 -10.533 14.321 1.00 73.27 C ATOM 1221 C ARG A 78 10.569 -10.860 12.840 1.00 73.27 C ATOM 1222 O ARG A 78 10.793 -11.995 12.464 1.00 73.27 O ATOM 1223 CB ARG A 78 8.932 -10.561 14.707 1.00 73.27 C ATOM 1224 CG ARG A 78 8.804 -10.481 16.233 1.00 73.27 C ATOM 1225 CD ARG A 78 7.379 -10.844 16.671 1.00 73.27 C ATOM 1226 NE ARG A 78 6.419 -9.820 16.165 1.00 73.27 N ATOM 1227 CZ ARG A 78 5.350 -9.512 16.857 1.00 73.27 C ATOM 1228 NH1 ARG A 78 5.103 -10.106 17.994 1.00 73.27 N ATOM 1229 NH2 ARG A 78 4.524 -8.606 16.407 1.00 73.27 N ATOM 0 H ARG A 78 10.332 -8.481 14.902 1.00 73.27 H new ATOM 0 HA ARG A 78 10.941 -11.267 14.933 1.00 73.27 H new ATOM 0 HB2 ARG A 78 8.408 -9.726 14.242 1.00 73.27 H new ATOM 0 HB3 ARG A 78 8.466 -11.475 14.339 1.00 73.27 H new ATOM 0 HG2 ARG A 78 9.518 -11.159 16.700 1.00 73.27 H new ATOM 0 HG3 ARG A 78 9.050 -9.475 16.573 1.00 73.27 H new ATOM 0 HD2 ARG A 78 7.110 -11.828 16.288 1.00 73.27 H new ATOM 0 HD3 ARG A 78 7.326 -10.900 17.758 1.00 73.27 H new ATOM 0 HE ARG A 78 6.596 -9.356 15.274 1.00 73.27 H new ATOM 0 HH11 ARG A 78 5.745 -10.815 18.349 1.00 73.27 H new ATOM 0 HH12 ARG A 78 4.269 -9.861 18.527 1.00 73.27 H new ATOM 0 HH21 ARG A 78 4.712 -8.140 15.519 1.00 73.27 H new ATOM 0 HH22 ARG A 78 3.691 -8.364 16.943 1.00 73.27 H new ATOM 1243 N LYS A 79 10.476 -9.873 11.990 1.00 80.85 N ATOM 1244 CA LYS A 79 10.657 -10.156 10.545 1.00 80.85 C ATOM 1245 C LYS A 79 12.094 -10.629 10.355 1.00 80.85 C ATOM 1246 O LYS A 79 12.337 -11.643 9.730 1.00 80.85 O ATOM 1247 CB LYS A 79 10.379 -8.904 9.696 1.00 80.85 C ATOM 1248 CG LYS A 79 8.977 -9.001 9.072 1.00 80.85 C ATOM 1249 CD LYS A 79 7.898 -8.817 10.158 1.00 80.85 C ATOM 1250 CE LYS A 79 7.049 -7.581 9.847 1.00 80.85 C ATOM 1251 NZ LYS A 79 7.818 -6.351 10.193 1.00 80.85 N ATOM 0 H LYS A 79 10.286 -8.900 12.231 1.00 80.85 H new ATOM 0 HA LYS A 79 9.953 -10.921 10.218 1.00 80.85 H new ATOM 0 HB2 LYS A 79 10.451 -8.010 10.315 1.00 80.85 H new ATOM 0 HB3 LYS A 79 11.131 -8.810 8.912 1.00 80.85 H new ATOM 0 HG2 LYS A 79 8.861 -8.240 8.301 1.00 80.85 H new ATOM 0 HG3 LYS A 79 8.853 -9.969 8.586 1.00 80.85 H new ATOM 0 HD2 LYS A 79 7.263 -9.702 10.206 1.00 80.85 H new ATOM 0 HD3 LYS A 79 8.368 -8.709 11.135 1.00 80.85 H new ATOM 0 HE2 LYS A 79 6.778 -7.569 8.791 1.00 80.85 H new ATOM 0 HE3 LYS A 79 6.119 -7.613 10.414 1.00 80.85 H new ATOM 0 HZ1 LYS A 79 7.270 -5.511 9.920 1.00 80.85 H new ATOM 0 HZ2 LYS A 79 7.996 -6.330 11.217 1.00 80.85 H new ATOM 0 HZ3 LYS A 79 8.725 -6.354 9.684 1.00 80.85 H new ATOM 1265 N HIS A 80 13.058 -9.936 10.907 1.00 46.01 N ATOM 1266 CA HIS A 80 14.461 -10.434 10.741 1.00 46.01 C ATOM 1267 C HIS A 80 14.576 -11.823 11.370 1.00 46.01 C ATOM 1268 O HIS A 80 15.177 -12.721 10.819 1.00 46.01 O ATOM 1269 CB HIS A 80 15.460 -9.531 11.456 1.00 46.01 C ATOM 1270 CG HIS A 80 15.606 -8.233 10.734 1.00 46.01 C ATOM 1271 ND1 HIS A 80 15.819 -8.141 9.353 1.00 46.01 N ATOM 1272 CD2 HIS A 80 15.561 -6.957 11.195 1.00 46.01 C ATOM 1273 CE1 HIS A 80 15.886 -6.825 9.043 1.00 46.01 C ATOM 1274 NE2 HIS A 80 15.742 -6.098 10.140 1.00 46.01 N ATOM 0 H HIS A 80 12.945 -9.078 11.447 1.00 46.01 H new ATOM 0 HA HIS A 80 14.683 -10.452 9.674 1.00 46.01 H new ATOM 0 HB2 HIS A 80 15.127 -9.349 12.478 1.00 46.01 H new ATOM 0 HB3 HIS A 80 16.428 -10.029 11.519 1.00 46.01 H new ATOM 0 HD1 HIS A 80 15.907 -8.921 8.702 1.00 46.01 H new ATOM 0 HD2 HIS A 80 15.408 -6.665 12.224 1.00 46.01 H new ATOM 0 HE1 HIS A 80 16.035 -6.428 8.050 1.00 46.01 H new ATOM 1282 N THR A 81 14.033 -11.988 12.545 1.00 89.50 N ATOM 1283 CA THR A 81 14.146 -13.299 13.239 1.00 89.50 C ATOM 1284 C THR A 81 13.730 -14.437 12.301 1.00 89.50 C ATOM 1285 O THR A 81 14.475 -15.369 12.080 1.00 89.50 O ATOM 1286 CB THR A 81 13.249 -13.291 14.478 1.00 89.50 C ATOM 1287 OG1 THR A 81 13.566 -12.161 15.277 1.00 89.50 O ATOM 1288 CG2 THR A 81 13.471 -14.568 15.289 1.00 89.50 C ATOM 0 H THR A 81 13.516 -11.271 13.053 1.00 89.50 H new ATOM 0 HA THR A 81 15.182 -13.459 13.537 1.00 89.50 H new ATOM 0 HB THR A 81 12.205 -13.242 14.168 1.00 89.50 H new ATOM 0 HG1 THR A 81 13.215 -11.351 14.852 1.00 89.50 H new ATOM 0 HG21 THR A 81 12.829 -14.556 16.170 1.00 89.50 H new ATOM 0 HG22 THR A 81 13.228 -15.436 14.675 1.00 89.50 H new ATOM 0 HG23 THR A 81 14.514 -14.624 15.601 1.00 89.50 H new ATOM 1296 N GLY A 82 12.551 -14.366 11.743 1.00 8.65 N ATOM 1297 CA GLY A 82 12.100 -15.449 10.822 1.00 8.65 C ATOM 1298 C GLY A 82 10.579 -15.386 10.659 1.00 8.65 C ATOM 0 H GLY A 82 11.883 -13.608 11.884 1.00 8.65 H new ATOM 0 HA2 GLY A 82 12.584 -15.340 9.852 1.00 8.65 H new ATOM 0 HA3 GLY A 82 12.393 -16.422 11.217 1.00 8.65 H new