USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 974 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 31 SER OG : rot -142:sc= 0.0109 USER MOD Set 1.2: B 31 SER OG : rot 64:sc= 0.00802 USER MOD Set 2.1: A 21 CYS SG : rot -37:sc= -5.81! USER MOD Set 2.2: B 21 CYS SG : rot -37:sc= -5.31! USER MOD Single : A 1 MET CE :methyl -116:sc= -0.0154 (180deg=-0.0933) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 144:sc= -0.167 (180deg=-1.38!) USER MOD Single : A 10 LYS NZ :NH3+ -111:sc= -0.347 (180deg=-1.58!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 46:sc= 0.297 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -10.4! C(o=-10!,f=-30!) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.303 F(o=-1.5!,f=-0.3) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot -108:sc= -2.33! USER MOD Single : A 38 CYS SG : rot 3:sc= -15.8! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -1.43! C(o=-1.4!,f=-5.4!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= -0.53 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 150:sc= -0.271 USER MOD Single : A 56 ASN : amide:sc=-0.00937 X(o=-0.0094,f=-0.2) USER MOD Single : A 58 ASN : amide:sc= -1.77 K(o=-1.8,f=-11!) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 6 TYR OH : rot 180:sc= 0 USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 THR OG1 : rot 40:sc= 0.196 USER MOD Single : B 16 SER OG : rot 180:sc= 0 USER MOD Single : B 23 ASN : amide:sc= -10.7! C(o=-11!,f=-30!) USER MOD Single : B 27 GLN :FLIP amide:sc= -0.283 F(o=-1.4!,f=-0.28) USER MOD Single : B 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 37 TYR OH : rot -113:sc= -1.51! USER MOD Single : B 38 CYS SG : rot -2:sc= -15.5! USER MOD Single : B 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 ASN : amide:sc= -1.46! C(o=-1.5!,f=-6.1!) USER MOD Single : B 48 THR OG1 : rot 180:sc= 0.177 USER MOD Single : B 49 SER OG : rot 180:sc= 0 USER MOD Single : B 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD Single : B 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 58 ASN : amide:sc= -0.151 K(o=-0.15,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.255 -16.887 22.812 1.00 0.00 N ATOM 2 CA MET A 1 -11.889 -17.040 22.230 1.00 0.00 C ATOM 3 C MET A 1 -11.420 -15.716 21.621 1.00 0.00 C ATOM 4 O MET A 1 -10.506 -15.085 22.112 1.00 0.00 O ATOM 5 CB MET A 1 -12.035 -18.107 21.143 1.00 0.00 C ATOM 6 CG MET A 1 -10.971 -19.188 21.339 1.00 0.00 C ATOM 7 SD MET A 1 -9.343 -18.412 21.512 1.00 0.00 S ATOM 8 CE MET A 1 -9.061 -18.079 19.756 1.00 0.00 C ATOM 0 H1 MET A 1 -13.561 -17.792 23.222 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.236 -16.159 23.555 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.921 -16.602 22.065 1.00 0.00 H new ATOM 0 HA MET A 1 -11.152 -17.323 22.982 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.030 -18.550 21.185 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.930 -17.653 20.157 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.199 -19.781 22.225 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.971 -19.871 20.490 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.202 -18.654 19.410 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.944 -18.366 19.185 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.867 -17.016 19.614 1.00 0.00 H new ATOM 20 N GLY A 2 -12.040 -15.293 20.553 1.00 0.00 N ATOM 21 CA GLY A 2 -11.628 -14.012 19.911 1.00 0.00 C ATOM 22 C GLY A 2 -11.395 -12.951 20.987 1.00 0.00 C ATOM 23 O GLY A 2 -11.867 -13.079 22.099 1.00 0.00 O ATOM 0 H GLY A 2 -12.813 -15.778 20.098 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -10.718 -14.161 19.330 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -12.399 -13.677 19.217 1.00 0.00 H new ATOM 27 N PRO A 3 -10.669 -11.932 20.614 1.00 0.00 N ATOM 28 CA PRO A 3 -10.364 -10.827 21.555 1.00 0.00 C ATOM 29 C PRO A 3 -11.596 -9.944 21.734 1.00 0.00 C ATOM 30 O PRO A 3 -11.979 -9.599 22.833 1.00 0.00 O ATOM 31 CB PRO A 3 -9.268 -10.045 20.842 1.00 0.00 C ATOM 32 CG PRO A 3 -9.481 -10.329 19.390 1.00 0.00 C ATOM 33 CD PRO A 3 -10.069 -11.714 19.294 1.00 0.00 C ATOM 0 HA PRO A 3 -10.069 -11.175 22.545 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.343 -8.978 21.052 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.278 -10.365 21.167 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.153 -9.593 18.948 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -8.540 -10.271 18.843 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.814 -11.778 18.501 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -9.304 -12.459 19.074 1.00 0.00 H new ATOM 41 N LEU A 4 -12.210 -9.569 20.645 1.00 0.00 N ATOM 42 CA LEU A 4 -13.411 -8.694 20.722 1.00 0.00 C ATOM 43 C LEU A 4 -14.414 -9.077 19.635 1.00 0.00 C ATOM 44 O LEU A 4 -15.093 -8.231 19.086 1.00 0.00 O ATOM 45 CB LEU A 4 -12.875 -7.288 20.462 1.00 0.00 C ATOM 46 CG LEU A 4 -13.508 -6.308 21.452 1.00 0.00 C ATOM 47 CD1 LEU A 4 -12.688 -6.283 22.743 1.00 0.00 C ATOM 48 CD2 LEU A 4 -13.535 -4.906 20.838 1.00 0.00 C ATOM 0 H LEU A 4 -11.929 -9.833 19.701 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.925 -8.778 21.679 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -11.790 -7.276 20.566 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -13.101 -6.985 19.440 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.526 -6.627 21.675 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.140 -5.585 23.447 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.670 -7.281 23.182 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.669 -5.966 22.521 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -13.986 -4.208 21.544 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -12.517 -4.588 20.613 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -14.121 -4.922 19.919 1.00 0.00 H new ATOM 60 N GLN A 5 -14.509 -10.336 19.304 1.00 0.00 N ATOM 61 CA GLN A 5 -15.465 -10.737 18.236 1.00 0.00 C ATOM 62 C GLN A 5 -15.324 -9.772 17.059 1.00 0.00 C ATOM 63 O GLN A 5 -16.285 -9.441 16.393 1.00 0.00 O ATOM 64 CB GLN A 5 -16.851 -10.617 18.874 1.00 0.00 C ATOM 65 CG GLN A 5 -17.877 -11.340 18.001 1.00 0.00 C ATOM 66 CD GLN A 5 -18.882 -12.069 18.896 1.00 0.00 C ATOM 67 OE1 GLN A 5 -20.014 -11.647 19.026 1.00 0.00 O ATOM 68 NE2 GLN A 5 -18.512 -13.152 19.522 1.00 0.00 N ATOM 0 H GLN A 5 -13.972 -11.096 19.722 1.00 0.00 H new ATOM 0 HA GLN A 5 -15.289 -11.745 17.861 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -16.841 -11.048 19.875 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -17.124 -9.567 18.982 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -18.395 -10.625 17.361 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -17.376 -12.051 17.344 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -17.561 -13.505 19.412 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -19.173 -13.646 20.121 1.00 0.00 H new ATOM 77 N TYR A 6 -14.125 -9.307 16.818 1.00 0.00 N ATOM 78 CA TYR A 6 -13.888 -8.346 15.702 1.00 0.00 C ATOM 79 C TYR A 6 -14.758 -8.692 14.491 1.00 0.00 C ATOM 80 O TYR A 6 -15.226 -9.804 14.349 1.00 0.00 O ATOM 81 CB TYR A 6 -12.414 -8.495 15.359 1.00 0.00 C ATOM 82 CG TYR A 6 -12.140 -9.947 15.172 1.00 0.00 C ATOM 83 CD1 TYR A 6 -12.559 -10.578 14.004 1.00 0.00 C ATOM 84 CD2 TYR A 6 -11.502 -10.671 16.176 1.00 0.00 C ATOM 85 CE1 TYR A 6 -12.337 -11.938 13.835 1.00 0.00 C ATOM 86 CE2 TYR A 6 -11.274 -12.032 16.009 1.00 0.00 C ATOM 87 CZ TYR A 6 -11.693 -12.673 14.837 1.00 0.00 C ATOM 88 OH TYR A 6 -11.472 -14.024 14.670 1.00 0.00 O ATOM 0 H TYR A 6 -13.293 -9.555 17.353 1.00 0.00 H new ATOM 0 HA TYR A 6 -14.143 -7.325 15.985 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.174 -7.940 14.452 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -11.792 -8.087 16.156 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -13.056 -10.011 13.231 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -11.185 -10.176 17.082 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -12.662 -12.429 12.930 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -10.774 -12.595 16.783 1.00 0.00 H new ATOM 0 HH TYR A 6 -11.013 -14.380 15.459 1.00 0.00 H new ATOM 98 N LYS A 7 -14.977 -7.749 13.616 1.00 0.00 N ATOM 99 CA LYS A 7 -15.817 -8.027 12.415 1.00 0.00 C ATOM 100 C LYS A 7 -15.250 -7.301 11.193 1.00 0.00 C ATOM 101 O LYS A 7 -15.970 -6.944 10.282 1.00 0.00 O ATOM 102 CB LYS A 7 -17.202 -7.483 12.766 1.00 0.00 C ATOM 103 CG LYS A 7 -17.089 -6.007 13.156 1.00 0.00 C ATOM 104 CD LYS A 7 -18.269 -5.232 12.567 1.00 0.00 C ATOM 105 CE LYS A 7 -19.487 -5.383 13.482 1.00 0.00 C ATOM 106 NZ LYS A 7 -19.129 -4.638 14.721 1.00 0.00 N ATOM 0 H LYS A 7 -14.611 -6.799 13.680 1.00 0.00 H new ATOM 0 HA LYS A 7 -15.846 -9.088 12.168 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -17.874 -7.595 11.915 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -17.631 -8.055 13.588 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -17.079 -5.906 14.241 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -16.149 -5.594 12.789 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -18.009 -4.179 12.461 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -18.502 -5.605 11.570 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -20.383 -4.971 13.018 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -19.692 -6.432 13.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -19.976 -4.170 15.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -18.752 -5.301 15.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -18.408 -3.922 14.499 1.00 0.00 H new ATOM 120 N ASP A 8 -13.965 -7.080 11.165 1.00 0.00 N ATOM 121 CA ASP A 8 -13.356 -6.377 9.999 1.00 0.00 C ATOM 122 C ASP A 8 -11.868 -6.723 9.890 1.00 0.00 C ATOM 123 O ASP A 8 -11.090 -6.446 10.781 1.00 0.00 O ATOM 124 CB ASP A 8 -13.539 -4.886 10.294 1.00 0.00 C ATOM 125 CG ASP A 8 -14.942 -4.449 9.870 1.00 0.00 C ATOM 126 OD1 ASP A 8 -15.326 -4.759 8.753 1.00 0.00 O ATOM 127 OD2 ASP A 8 -15.608 -3.810 10.668 1.00 0.00 O ATOM 0 H ASP A 8 -13.310 -7.355 11.897 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.819 -6.666 9.056 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.393 -4.694 11.357 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.788 -4.304 9.759 1.00 0.00 H new ATOM 132 N LEU A 9 -11.468 -7.325 8.805 1.00 0.00 N ATOM 133 CA LEU A 9 -10.030 -7.687 8.641 1.00 0.00 C ATOM 134 C LEU A 9 -9.571 -7.412 7.206 1.00 0.00 C ATOM 135 O LEU A 9 -10.308 -7.603 6.260 1.00 0.00 O ATOM 136 CB LEU A 9 -9.959 -9.183 8.950 1.00 0.00 C ATOM 137 CG LEU A 9 -10.981 -9.934 8.096 1.00 0.00 C ATOM 138 CD1 LEU A 9 -10.252 -10.878 7.139 1.00 0.00 C ATOM 139 CD2 LEU A 9 -11.905 -10.744 9.008 1.00 0.00 C ATOM 0 H LEU A 9 -12.073 -7.582 8.025 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.383 -7.104 9.296 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.956 -9.559 8.748 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.157 -9.356 10.008 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.570 -9.220 7.520 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.981 -11.413 6.530 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.592 -10.301 6.491 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.663 -11.594 7.712 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.635 -11.281 8.402 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.315 -11.458 9.582 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.424 -10.071 9.690 1.00 0.00 H new ATOM 151 N LYS A 10 -8.357 -6.962 7.040 1.00 0.00 N ATOM 152 CA LYS A 10 -7.848 -6.673 5.668 1.00 0.00 C ATOM 153 C LYS A 10 -8.888 -5.879 4.871 1.00 0.00 C ATOM 154 O LYS A 10 -9.733 -6.441 4.203 1.00 0.00 O ATOM 155 CB LYS A 10 -7.621 -8.043 5.030 1.00 0.00 C ATOM 156 CG LYS A 10 -7.055 -7.859 3.621 1.00 0.00 C ATOM 157 CD LYS A 10 -6.945 -9.222 2.934 1.00 0.00 C ATOM 158 CE LYS A 10 -8.311 -9.624 2.373 1.00 0.00 C ATOM 159 NZ LYS A 10 -8.871 -10.578 3.371 1.00 0.00 N ATOM 0 H LYS A 10 -7.695 -6.782 7.795 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.937 -6.075 5.687 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.932 -8.630 5.637 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.559 -8.597 4.988 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.700 -7.199 3.042 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.075 -7.384 3.670 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.209 -9.178 2.131 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.597 -9.972 3.644 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.958 -8.756 2.250 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.214 -10.090 1.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.902 -11.533 2.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.269 -10.586 4.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.833 -10.282 3.632 1.00 0.00 H new ATOM 173 N ILE A 11 -8.831 -4.577 4.937 1.00 0.00 N ATOM 174 CA ILE A 11 -9.814 -3.743 4.185 1.00 0.00 C ATOM 175 C ILE A 11 -9.191 -2.389 3.828 1.00 0.00 C ATOM 176 O ILE A 11 -8.172 -2.321 3.169 1.00 0.00 O ATOM 177 CB ILE A 11 -11.015 -3.575 5.128 1.00 0.00 C ATOM 178 CG1 ILE A 11 -10.529 -3.411 6.573 1.00 0.00 C ATOM 179 CG2 ILE A 11 -11.914 -4.795 5.027 1.00 0.00 C ATOM 180 CD1 ILE A 11 -11.658 -2.830 7.429 1.00 0.00 C ATOM 0 H ILE A 11 -8.145 -4.053 5.480 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.115 -4.204 3.244 1.00 0.00 H new ATOM 0 HB ILE A 11 -11.575 -2.685 4.839 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.214 -4.375 6.973 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.660 -2.754 6.603 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -12.766 -4.676 5.696 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -12.270 -4.901 4.002 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -11.352 -5.685 5.310 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.313 -2.713 8.456 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -11.952 -1.858 7.032 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -12.514 -3.504 7.408 1.00 0.00 H new ATOM 192 N ASP A 12 -9.791 -1.310 4.250 1.00 0.00 N ATOM 193 CA ASP A 12 -9.241 0.028 3.932 1.00 0.00 C ATOM 194 C ASP A 12 -8.839 0.105 2.456 1.00 0.00 C ATOM 195 O ASP A 12 -9.205 -0.734 1.658 1.00 0.00 O ATOM 196 CB ASP A 12 -8.017 0.186 4.835 1.00 0.00 C ATOM 197 CG ASP A 12 -8.464 0.250 6.297 1.00 0.00 C ATOM 198 OD1 ASP A 12 -9.602 -0.103 6.564 1.00 0.00 O ATOM 199 OD2 ASP A 12 -7.662 0.650 7.123 1.00 0.00 O ATOM 0 H ASP A 12 -10.646 -1.303 4.806 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.971 0.820 4.099 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.334 -0.651 4.689 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.472 1.092 4.571 1.00 0.00 H new ATOM 204 N ILE A 13 -8.086 1.107 2.090 1.00 0.00 N ATOM 205 CA ILE A 13 -7.656 1.240 0.669 1.00 0.00 C ATOM 206 C ILE A 13 -6.201 1.713 0.604 1.00 0.00 C ATOM 207 O ILE A 13 -5.669 2.234 1.562 1.00 0.00 O ATOM 208 CB ILE A 13 -8.595 2.288 0.066 1.00 0.00 C ATOM 209 CG1 ILE A 13 -8.491 2.246 -1.460 1.00 0.00 C ATOM 210 CG2 ILE A 13 -8.201 3.680 0.564 1.00 0.00 C ATOM 211 CD1 ILE A 13 -9.491 3.232 -2.068 1.00 0.00 C ATOM 0 H ILE A 13 -7.750 1.840 2.715 1.00 0.00 H new ATOM 0 HA ILE A 13 -7.706 0.295 0.129 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.619 2.072 0.369 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.478 2.500 -1.773 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.693 1.238 -1.821 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.871 4.424 0.133 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -8.275 3.712 1.651 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.176 3.897 0.263 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -9.417 3.202 -3.155 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.502 2.958 -1.766 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -9.268 4.239 -1.717 1.00 0.00 H new ATOM 223 N LYS A 14 -5.556 1.533 -0.518 1.00 0.00 N ATOM 224 CA LYS A 14 -4.133 1.970 -0.646 1.00 0.00 C ATOM 225 C LYS A 14 -3.264 1.273 0.405 1.00 0.00 C ATOM 226 O LYS A 14 -2.561 0.326 0.116 1.00 0.00 O ATOM 227 CB LYS A 14 -4.152 3.481 -0.407 1.00 0.00 C ATOM 228 CG LYS A 14 -4.433 4.206 -1.724 1.00 0.00 C ATOM 229 CD LYS A 14 -3.111 4.642 -2.359 1.00 0.00 C ATOM 230 CE LYS A 14 -3.397 5.446 -3.630 1.00 0.00 C ATOM 231 NZ LYS A 14 -2.274 6.418 -3.730 1.00 0.00 N ATOM 0 H LYS A 14 -5.953 1.102 -1.353 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.716 1.718 -1.621 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.916 3.733 0.329 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.196 3.807 0.002 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.976 3.550 -2.404 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.067 5.075 -1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.539 5.246 -1.655 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.504 3.769 -2.597 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.438 4.799 -4.506 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.357 5.957 -3.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.399 7.007 -4.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.264 7.025 -2.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.373 5.902 -3.796 1.00 0.00 H new ATOM 245 N THR A 15 -3.308 1.739 1.623 1.00 0.00 N ATOM 246 CA THR A 15 -2.486 1.112 2.697 1.00 0.00 C ATOM 247 C THR A 15 -2.523 -0.419 2.582 1.00 0.00 C ATOM 248 O THR A 15 -3.509 -1.043 2.915 1.00 0.00 O ATOM 249 CB THR A 15 -3.129 1.572 4.003 1.00 0.00 C ATOM 250 OG1 THR A 15 -4.538 1.400 3.929 1.00 0.00 O ATOM 251 CG2 THR A 15 -2.801 3.047 4.234 1.00 0.00 C ATOM 0 H THR A 15 -3.879 2.529 1.922 1.00 0.00 H new ATOM 0 HA THR A 15 -1.437 1.401 2.634 1.00 0.00 H new ATOM 0 HB THR A 15 -2.740 0.978 4.830 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.741 0.515 3.559 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.258 3.380 5.166 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.720 3.174 4.295 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.190 3.640 3.407 1.00 0.00 H new ATOM 259 N SER A 16 -1.458 -1.026 2.109 1.00 0.00 N ATOM 260 CA SER A 16 -1.442 -2.518 1.978 1.00 0.00 C ATOM 261 C SER A 16 -1.643 -3.165 3.389 1.00 0.00 C ATOM 262 O SER A 16 -2.663 -2.879 3.981 1.00 0.00 O ATOM 263 CB SER A 16 -0.120 -2.834 1.275 1.00 0.00 C ATOM 264 OG SER A 16 -0.124 -2.223 -0.009 1.00 0.00 O ATOM 0 H SER A 16 -0.604 -0.555 1.810 1.00 0.00 H new ATOM 0 HA SER A 16 -2.254 -2.939 1.385 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.719 -2.465 1.865 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.008 -3.912 1.179 1.00 0.00 H new ATOM 0 HG SER A 16 0.720 -2.418 -0.467 1.00 0.00 H new ATOM 270 N PRO A 17 -0.762 -4.011 3.956 1.00 0.00 N ATOM 271 CA PRO A 17 0.532 -4.507 3.445 1.00 0.00 C ATOM 272 C PRO A 17 0.431 -5.997 3.120 1.00 0.00 C ATOM 273 O PRO A 17 1.345 -6.740 3.415 1.00 0.00 O ATOM 274 CB PRO A 17 1.396 -4.412 4.700 1.00 0.00 C ATOM 275 CG PRO A 17 0.436 -4.504 5.846 1.00 0.00 C ATOM 276 CD PRO A 17 -0.933 -4.612 5.253 1.00 0.00 C ATOM 0 HA PRO A 17 0.880 -3.973 2.561 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.129 -5.218 4.735 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.951 -3.474 4.726 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.658 -5.371 6.468 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.512 -3.625 6.486 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.262 -5.649 5.179 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -1.676 -4.083 5.850 1.00 0.00 H new ATOM 284 N PRO A 18 -0.680 -6.417 2.590 1.00 0.00 N ATOM 285 CA PRO A 18 -0.854 -7.854 2.329 1.00 0.00 C ATOM 286 C PRO A 18 0.237 -8.413 1.394 1.00 0.00 C ATOM 287 O PRO A 18 0.691 -9.518 1.616 1.00 0.00 O ATOM 288 CB PRO A 18 -2.286 -7.950 1.811 1.00 0.00 C ATOM 289 CG PRO A 18 -2.599 -6.594 1.283 1.00 0.00 C ATOM 290 CD PRO A 18 -1.848 -5.637 2.167 1.00 0.00 C ATOM 0 HA PRO A 18 -0.725 -8.485 3.208 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.373 -8.707 1.031 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.975 -8.232 2.607 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -2.287 -6.496 0.243 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.671 -6.398 1.314 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.556 -4.736 1.628 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -2.450 -5.319 3.018 1.00 0.00 H new ATOM 298 N PRO A 19 0.698 -7.645 0.431 1.00 0.00 N ATOM 299 CA PRO A 19 1.812 -8.140 -0.409 1.00 0.00 C ATOM 300 C PRO A 19 3.071 -8.104 0.460 1.00 0.00 C ATOM 301 O PRO A 19 3.870 -7.197 0.374 1.00 0.00 O ATOM 302 CB PRO A 19 1.893 -7.128 -1.548 1.00 0.00 C ATOM 303 CG PRO A 19 1.302 -5.878 -0.984 1.00 0.00 C ATOM 304 CD PRO A 19 0.264 -6.303 0.022 1.00 0.00 C ATOM 0 HA PRO A 19 1.690 -9.152 -0.794 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.924 -6.971 -1.866 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.338 -7.470 -2.422 1.00 0.00 H new ATOM 0 HG2 PRO A 19 2.070 -5.266 -0.512 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.852 -5.273 -1.772 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.226 -5.619 0.870 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.734 -6.322 -0.417 1.00 0.00 H new ATOM 312 N GLU A 20 3.199 -9.059 1.345 1.00 0.00 N ATOM 313 CA GLU A 20 4.355 -9.090 2.302 1.00 0.00 C ATOM 314 C GLU A 20 5.721 -9.086 1.611 1.00 0.00 C ATOM 315 O GLU A 20 6.555 -9.919 1.890 1.00 0.00 O ATOM 316 CB GLU A 20 4.184 -10.389 3.092 1.00 0.00 C ATOM 317 CG GLU A 20 3.774 -11.526 2.152 1.00 0.00 C ATOM 318 CD GLU A 20 2.374 -12.016 2.527 1.00 0.00 C ATOM 319 OE1 GLU A 20 1.959 -11.762 3.645 1.00 0.00 O ATOM 320 OE2 GLU A 20 1.740 -12.636 1.689 1.00 0.00 O ATOM 0 H GLU A 20 2.543 -9.833 1.449 1.00 0.00 H new ATOM 0 HA GLU A 20 4.344 -8.194 2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.116 -10.642 3.597 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.428 -10.256 3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.785 -11.180 1.118 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.489 -12.346 2.222 1.00 0.00 H new ATOM 327 N CYS A 21 5.994 -8.142 0.761 1.00 0.00 N ATOM 328 CA CYS A 21 7.356 -8.114 0.145 1.00 0.00 C ATOM 329 C CYS A 21 8.330 -7.452 1.125 1.00 0.00 C ATOM 330 O CYS A 21 9.494 -7.796 1.183 1.00 0.00 O ATOM 331 CB CYS A 21 7.312 -7.368 -1.213 1.00 0.00 C ATOM 332 SG CYS A 21 5.769 -6.441 -1.456 1.00 0.00 S ATOM 0 H CYS A 21 5.355 -7.403 0.468 1.00 0.00 H new ATOM 0 HA CYS A 21 7.700 -9.129 -0.054 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.156 -6.681 -1.273 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.429 -8.089 -2.022 1.00 0.00 H new ATOM 0 HG CYS A 21 4.776 -7.112 -0.953 1.00 0.00 H new ATOM 338 N ILE A 22 7.856 -6.515 1.913 1.00 0.00 N ATOM 339 CA ILE A 22 8.754 -5.848 2.910 1.00 0.00 C ATOM 340 C ILE A 22 8.909 -6.726 4.138 1.00 0.00 C ATOM 341 O ILE A 22 9.995 -7.054 4.552 1.00 0.00 O ATOM 342 CB ILE A 22 8.049 -4.562 3.343 1.00 0.00 C ATOM 343 CG1 ILE A 22 7.748 -3.623 2.170 1.00 0.00 C ATOM 344 CG2 ILE A 22 8.928 -3.825 4.345 1.00 0.00 C ATOM 345 CD1 ILE A 22 8.348 -4.136 0.852 1.00 0.00 C ATOM 0 H ILE A 22 6.891 -6.185 1.909 1.00 0.00 H new ATOM 0 HA ILE A 22 9.735 -5.661 2.473 1.00 0.00 H new ATOM 0 HB ILE A 22 7.096 -4.852 3.785 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.669 -3.516 2.059 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.146 -2.632 2.388 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.431 -2.907 4.658 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.099 -4.460 5.215 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.883 -3.581 3.880 1.00 0.00 H new ATOM 0 HD11 ILE A 22 8.110 -3.439 0.048 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.430 -4.218 0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.930 -5.115 0.619 1.00 0.00 H new ATOM 357 N ASN A 23 7.824 -7.084 4.750 1.00 0.00 N ATOM 358 CA ASN A 23 7.940 -7.925 5.971 1.00 0.00 C ATOM 359 C ASN A 23 8.588 -9.261 5.615 1.00 0.00 C ATOM 360 O ASN A 23 9.560 -9.659 6.218 1.00 0.00 O ATOM 361 CB ASN A 23 6.523 -8.124 6.505 1.00 0.00 C ATOM 362 CG ASN A 23 5.720 -8.991 5.545 1.00 0.00 C ATOM 363 OD1 ASN A 23 5.860 -8.872 4.347 1.00 0.00 O ATOM 364 ND2 ASN A 23 4.880 -9.868 6.027 1.00 0.00 N ATOM 0 H ASN A 23 6.875 -6.838 4.467 1.00 0.00 H new ATOM 0 HA ASN A 23 8.565 -7.452 6.729 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.559 -8.593 7.488 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.034 -7.158 6.631 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.338 -10.457 5.394 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.766 -9.964 7.036 1.00 0.00 H new ATOM 371 N ASP A 24 8.105 -9.937 4.604 1.00 0.00 N ATOM 372 CA ASP A 24 8.751 -11.216 4.219 1.00 0.00 C ATOM 373 C ASP A 24 10.200 -10.912 3.914 1.00 0.00 C ATOM 374 O ASP A 24 11.060 -11.770 3.947 1.00 0.00 O ATOM 375 CB ASP A 24 8.022 -11.683 2.964 1.00 0.00 C ATOM 376 CG ASP A 24 8.386 -13.140 2.671 1.00 0.00 C ATOM 377 OD1 ASP A 24 8.691 -13.855 3.612 1.00 0.00 O ATOM 378 OD2 ASP A 24 8.353 -13.517 1.512 1.00 0.00 O ATOM 0 H ASP A 24 7.303 -9.660 4.039 1.00 0.00 H new ATOM 0 HA ASP A 24 8.705 -11.982 4.993 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.945 -11.587 3.100 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.294 -11.052 2.117 1.00 0.00 H new ATOM 383 N LEU A 25 10.472 -9.671 3.631 1.00 0.00 N ATOM 384 CA LEU A 25 11.850 -9.267 3.340 1.00 0.00 C ATOM 385 C LEU A 25 12.558 -8.960 4.629 1.00 0.00 C ATOM 386 O LEU A 25 13.564 -9.537 4.989 1.00 0.00 O ATOM 387 CB LEU A 25 11.730 -7.973 2.527 1.00 0.00 C ATOM 388 CG LEU A 25 12.922 -7.026 2.816 1.00 0.00 C ATOM 389 CD1 LEU A 25 13.888 -7.030 1.649 1.00 0.00 C ATOM 390 CD2 LEU A 25 12.410 -5.612 3.056 1.00 0.00 C ATOM 0 H LEU A 25 9.783 -8.920 3.591 1.00 0.00 H new ATOM 0 HA LEU A 25 12.401 -10.044 2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.697 -8.209 1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.794 -7.471 2.771 1.00 0.00 H new ATOM 0 HG LEU A 25 13.443 -7.377 3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.721 -6.361 1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.265 -8.041 1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 25 13.374 -6.691 0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 25 13.252 -4.950 3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.878 -5.262 2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.733 -5.610 3.910 1.00 0.00 H new ATOM 402 N LEU A 26 12.042 -7.973 5.274 1.00 0.00 N ATOM 403 CA LEU A 26 12.642 -7.485 6.495 1.00 0.00 C ATOM 404 C LEU A 26 12.431 -8.480 7.623 1.00 0.00 C ATOM 405 O LEU A 26 12.955 -8.332 8.709 1.00 0.00 O ATOM 406 CB LEU A 26 11.916 -6.176 6.729 1.00 0.00 C ATOM 407 CG LEU A 26 12.132 -5.754 8.147 1.00 0.00 C ATOM 408 CD1 LEU A 26 13.614 -5.496 8.335 1.00 0.00 C ATOM 409 CD2 LEU A 26 11.341 -4.477 8.431 1.00 0.00 C ATOM 0 H LEU A 26 11.200 -7.476 4.985 1.00 0.00 H new ATOM 0 HA LEU A 26 13.722 -7.350 6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 26 12.287 -5.411 6.047 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.851 -6.293 6.528 1.00 0.00 H new ATOM 0 HG LEU A 26 11.793 -6.531 8.833 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.802 -5.186 9.363 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.172 -6.408 8.124 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.935 -4.708 7.654 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.501 -4.172 9.465 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.678 -3.684 7.763 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.279 -4.663 8.267 1.00 0.00 H new ATOM 421 N GLN A 27 11.708 -9.528 7.356 1.00 0.00 N ATOM 422 CA GLN A 27 11.514 -10.563 8.377 1.00 0.00 C ATOM 423 C GLN A 27 12.855 -11.259 8.579 1.00 0.00 C ATOM 424 O GLN A 27 13.014 -12.098 9.445 1.00 0.00 O ATOM 425 CB GLN A 27 10.513 -11.517 7.754 1.00 0.00 C ATOM 426 CG GLN A 27 9.101 -11.118 8.180 1.00 0.00 C ATOM 427 CD GLN A 27 8.529 -12.142 9.161 1.00 0.00 C ATOM 428 OE1 GLN A 27 8.868 -13.393 9.049 1.00 0.00 O flip ATOM 429 NE2 GLN A 27 7.761 -11.798 10.038 1.00 0.00 N flip ATOM 0 H GLN A 27 11.244 -9.704 6.465 1.00 0.00 H new ATOM 0 HA GLN A 27 11.166 -10.188 9.339 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.598 -11.493 6.668 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.724 -12.539 8.067 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.120 -10.132 8.644 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.457 -11.046 7.304 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.495 -10.817 10.127 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.383 -12.490 10.685 1.00 0.00 H new ATOM 438 N ALA A 28 13.822 -10.933 7.747 1.00 0.00 N ATOM 439 CA ALA A 28 15.136 -11.592 7.853 1.00 0.00 C ATOM 440 C ALA A 28 16.292 -10.595 8.037 1.00 0.00 C ATOM 441 O ALA A 28 17.348 -10.984 8.496 1.00 0.00 O ATOM 442 CB ALA A 28 15.289 -12.338 6.531 1.00 0.00 C ATOM 0 H ALA A 28 13.743 -10.238 7.005 1.00 0.00 H new ATOM 0 HA ALA A 28 15.178 -12.240 8.728 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.244 -12.862 6.518 1.00 0.00 H new ATOM 0 HB2 ALA A 28 14.478 -13.058 6.424 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.254 -11.627 5.706 1.00 0.00 H new ATOM 448 N VAL A 29 16.160 -9.327 7.694 1.00 0.00 N ATOM 449 CA VAL A 29 17.344 -8.445 7.896 1.00 0.00 C ATOM 450 C VAL A 29 17.166 -7.571 9.123 1.00 0.00 C ATOM 451 O VAL A 29 17.956 -6.688 9.374 1.00 0.00 O ATOM 452 CB VAL A 29 17.512 -7.631 6.595 1.00 0.00 C ATOM 453 CG1 VAL A 29 16.158 -7.347 5.949 1.00 0.00 C ATOM 454 CG2 VAL A 29 18.217 -6.302 6.888 1.00 0.00 C ATOM 0 H VAL A 29 15.325 -8.890 7.303 1.00 0.00 H new ATOM 0 HA VAL A 29 18.249 -9.022 8.087 1.00 0.00 H new ATOM 0 HB VAL A 29 18.115 -8.223 5.907 1.00 0.00 H new ATOM 0 HG11 VAL A 29 16.305 -6.772 5.034 1.00 0.00 H new ATOM 0 HG12 VAL A 29 15.664 -8.289 5.711 1.00 0.00 H new ATOM 0 HG13 VAL A 29 15.538 -6.777 6.640 1.00 0.00 H new ATOM 0 HG21 VAL A 29 18.329 -5.738 5.962 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.623 -5.724 7.596 1.00 0.00 H new ATOM 0 HG23 VAL A 29 19.201 -6.498 7.315 1.00 0.00 H new ATOM 464 N ASP A 30 16.171 -7.836 9.920 1.00 0.00 N ATOM 465 CA ASP A 30 16.007 -7.023 11.149 1.00 0.00 C ATOM 466 C ASP A 30 16.153 -5.563 10.796 1.00 0.00 C ATOM 467 O ASP A 30 17.249 -5.043 10.736 1.00 0.00 O ATOM 468 CB ASP A 30 17.173 -7.450 12.021 1.00 0.00 C ATOM 469 CG ASP A 30 16.749 -8.597 12.940 1.00 0.00 C ATOM 470 OD1 ASP A 30 15.691 -9.156 12.705 1.00 0.00 O ATOM 471 OD2 ASP A 30 17.489 -8.895 13.862 1.00 0.00 O ATOM 0 H ASP A 30 15.476 -8.568 9.776 1.00 0.00 H new ATOM 0 HA ASP A 30 15.040 -7.159 11.633 1.00 0.00 H new ATOM 0 HB2 ASP A 30 18.009 -7.764 11.396 1.00 0.00 H new ATOM 0 HB3 ASP A 30 17.520 -6.606 12.617 1.00 0.00 H new ATOM 476 N SER A 31 15.096 -4.886 10.513 1.00 0.00 N ATOM 477 CA SER A 31 15.296 -3.494 10.108 1.00 0.00 C ATOM 478 C SER A 31 13.977 -2.728 10.156 1.00 0.00 C ATOM 479 O SER A 31 13.448 -2.308 9.149 1.00 0.00 O ATOM 480 CB SER A 31 15.835 -3.700 8.694 1.00 0.00 C ATOM 481 OG SER A 31 16.916 -2.819 8.464 1.00 0.00 O ATOM 0 H SER A 31 14.134 -5.222 10.543 1.00 0.00 H new ATOM 0 HA SER A 31 15.957 -2.898 10.738 1.00 0.00 H new ATOM 0 HB2 SER A 31 16.161 -4.732 8.565 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.046 -3.521 7.964 1.00 0.00 H new ATOM 0 HG SER A 31 16.882 -2.494 7.540 1.00 0.00 H new ATOM 487 N GLN A 32 13.446 -2.552 11.336 1.00 0.00 N ATOM 488 CA GLN A 32 12.156 -1.829 11.476 1.00 0.00 C ATOM 489 C GLN A 32 12.184 -0.532 10.675 1.00 0.00 C ATOM 490 O GLN A 32 11.161 -0.004 10.321 1.00 0.00 O ATOM 491 CB GLN A 32 12.021 -1.538 12.970 1.00 0.00 C ATOM 492 CG GLN A 32 10.541 -1.550 13.354 1.00 0.00 C ATOM 493 CD GLN A 32 10.352 -2.389 14.613 1.00 0.00 C ATOM 494 OE1 GLN A 32 10.920 -2.096 15.647 1.00 0.00 O ATOM 495 NE2 GLN A 32 9.569 -3.428 14.572 1.00 0.00 N ATOM 0 H GLN A 32 13.855 -2.881 12.211 1.00 0.00 H new ATOM 0 HA GLN A 32 11.316 -2.412 11.099 1.00 0.00 H new ATOM 0 HB2 GLN A 32 12.565 -2.285 13.549 1.00 0.00 H new ATOM 0 HB3 GLN A 32 12.462 -0.569 13.205 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.190 -0.532 13.526 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.945 -1.959 12.538 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.093 -3.674 13.704 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.432 -3.997 15.408 1.00 0.00 H new ATOM 504 N GLU A 33 13.334 -0.020 10.358 1.00 0.00 N ATOM 505 CA GLU A 33 13.362 1.229 9.553 1.00 0.00 C ATOM 506 C GLU A 33 12.741 0.934 8.195 1.00 0.00 C ATOM 507 O GLU A 33 12.186 1.795 7.542 1.00 0.00 O ATOM 508 CB GLU A 33 14.834 1.586 9.401 1.00 0.00 C ATOM 509 CG GLU A 33 15.451 1.824 10.780 1.00 0.00 C ATOM 510 CD GLU A 33 15.923 3.275 10.885 1.00 0.00 C ATOM 511 OE1 GLU A 33 16.221 3.857 9.855 1.00 0.00 O ATOM 512 OE2 GLU A 33 15.978 3.781 11.994 1.00 0.00 O ATOM 0 H GLU A 33 14.244 -0.403 10.615 1.00 0.00 H new ATOM 0 HA GLU A 33 12.809 2.048 10.014 1.00 0.00 H new ATOM 0 HB2 GLU A 33 15.362 0.782 8.889 1.00 0.00 H new ATOM 0 HB3 GLU A 33 14.940 2.479 8.785 1.00 0.00 H new ATOM 0 HG2 GLU A 33 14.719 1.611 11.559 1.00 0.00 H new ATOM 0 HG3 GLU A 33 16.290 1.146 10.937 1.00 0.00 H new ATOM 519 N VAL A 34 12.825 -0.297 7.779 1.00 0.00 N ATOM 520 CA VAL A 34 12.234 -0.688 6.477 1.00 0.00 C ATOM 521 C VAL A 34 10.732 -0.913 6.668 1.00 0.00 C ATOM 522 O VAL A 34 9.927 -0.497 5.860 1.00 0.00 O ATOM 523 CB VAL A 34 12.992 -1.968 6.082 1.00 0.00 C ATOM 524 CG1 VAL A 34 12.046 -2.982 5.436 1.00 0.00 C ATOM 525 CG2 VAL A 34 14.095 -1.600 5.087 1.00 0.00 C ATOM 0 H VAL A 34 13.281 -1.052 8.291 1.00 0.00 H new ATOM 0 HA VAL A 34 12.329 0.063 5.693 1.00 0.00 H new ATOM 0 HB VAL A 34 13.420 -2.417 6.978 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.604 -3.879 5.165 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.257 -3.244 6.141 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.602 -2.546 4.541 1.00 0.00 H new ATOM 0 HG21 VAL A 34 14.640 -2.499 4.799 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.650 -1.146 4.202 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.782 -0.892 5.551 1.00 0.00 H new ATOM 535 N ARG A 35 10.346 -1.531 7.747 1.00 0.00 N ATOM 536 CA ARG A 35 8.898 -1.734 8.004 1.00 0.00 C ATOM 537 C ARG A 35 8.324 -0.418 8.511 1.00 0.00 C ATOM 538 O ARG A 35 7.291 0.041 8.064 1.00 0.00 O ATOM 539 CB ARG A 35 8.849 -2.786 9.090 1.00 0.00 C ATOM 540 CG ARG A 35 8.250 -4.078 8.544 1.00 0.00 C ATOM 541 CD ARG A 35 7.370 -4.697 9.622 1.00 0.00 C ATOM 542 NE ARG A 35 6.645 -5.806 8.944 1.00 0.00 N ATOM 543 CZ ARG A 35 6.894 -7.044 9.273 1.00 0.00 C ATOM 544 NH1 ARG A 35 8.129 -7.465 9.339 1.00 0.00 N ATOM 545 NH2 ARG A 35 5.911 -7.859 9.536 1.00 0.00 N ATOM 0 H ARG A 35 10.972 -1.904 8.461 1.00 0.00 H new ATOM 0 HA ARG A 35 8.331 -2.040 7.125 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.853 -2.974 9.470 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.253 -2.426 9.929 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.664 -3.875 7.648 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.041 -4.771 8.257 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.969 -5.068 10.454 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.675 -3.964 10.032 1.00 0.00 H new ATOM 0 HE ARG A 35 5.954 -5.599 8.223 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.897 -6.826 9.134 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.325 -8.432 9.596 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.947 -7.529 9.485 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.106 -8.827 9.793 1.00 0.00 H new ATOM 559 N ASP A 36 9.027 0.223 9.409 1.00 0.00 N ATOM 560 CA ASP A 36 8.564 1.540 9.906 1.00 0.00 C ATOM 561 C ASP A 36 8.406 2.418 8.682 1.00 0.00 C ATOM 562 O ASP A 36 7.580 3.305 8.613 1.00 0.00 O ATOM 563 CB ASP A 36 9.689 2.064 10.802 1.00 0.00 C ATOM 564 CG ASP A 36 9.167 3.223 11.651 1.00 0.00 C ATOM 565 OD1 ASP A 36 8.331 2.976 12.505 1.00 0.00 O ATOM 566 OD2 ASP A 36 9.611 4.338 11.434 1.00 0.00 O ATOM 0 H ASP A 36 9.900 -0.113 9.815 1.00 0.00 H new ATOM 0 HA ASP A 36 7.626 1.507 10.461 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.058 1.265 11.445 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.529 2.396 10.192 1.00 0.00 H new ATOM 571 N TYR A 37 9.192 2.112 7.694 1.00 0.00 N ATOM 572 CA TYR A 37 9.139 2.824 6.418 1.00 0.00 C ATOM 573 C TYR A 37 7.937 2.287 5.654 1.00 0.00 C ATOM 574 O TYR A 37 7.072 3.016 5.222 1.00 0.00 O ATOM 575 CB TYR A 37 10.451 2.446 5.738 1.00 0.00 C ATOM 576 CG TYR A 37 10.258 2.522 4.256 1.00 0.00 C ATOM 577 CD1 TYR A 37 9.649 1.456 3.597 1.00 0.00 C ATOM 578 CD2 TYR A 37 10.614 3.676 3.557 1.00 0.00 C ATOM 579 CE1 TYR A 37 9.385 1.536 2.240 1.00 0.00 C ATOM 580 CE2 TYR A 37 10.366 3.756 2.186 1.00 0.00 C ATOM 581 CZ TYR A 37 9.745 2.691 1.527 1.00 0.00 C ATOM 582 OH TYR A 37 9.472 2.792 0.177 1.00 0.00 O ATOM 0 H TYR A 37 9.890 1.369 7.732 1.00 0.00 H new ATOM 0 HA TYR A 37 9.033 3.906 6.493 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.248 3.121 6.051 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.752 1.440 6.029 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.382 0.565 4.146 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.079 4.502 4.074 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.904 0.713 1.732 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.653 4.639 1.635 1.00 0.00 H new ATOM 0 HH TYR A 37 10.306 2.716 -0.332 1.00 0.00 H new ATOM 592 N CYS A 38 7.878 0.998 5.517 1.00 0.00 N ATOM 593 CA CYS A 38 6.748 0.363 4.805 1.00 0.00 C ATOM 594 C CYS A 38 5.430 0.893 5.367 1.00 0.00 C ATOM 595 O CYS A 38 4.573 1.346 4.637 1.00 0.00 O ATOM 596 CB CYS A 38 6.940 -1.122 5.089 1.00 0.00 C ATOM 597 SG CYS A 38 5.924 -2.108 3.975 1.00 0.00 S ATOM 0 H CYS A 38 8.578 0.348 5.875 1.00 0.00 H new ATOM 0 HA CYS A 38 6.720 0.568 3.735 1.00 0.00 H new ATOM 0 HB2 CYS A 38 7.990 -1.390 4.968 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.673 -1.339 6.123 1.00 0.00 H new ATOM 0 HG CYS A 38 5.311 -1.324 3.139 1.00 0.00 H new ATOM 603 N GLU A 39 5.272 0.882 6.657 1.00 0.00 N ATOM 604 CA GLU A 39 4.025 1.432 7.243 1.00 0.00 C ATOM 605 C GLU A 39 4.085 2.952 7.143 1.00 0.00 C ATOM 606 O GLU A 39 3.102 3.637 7.344 1.00 0.00 O ATOM 607 CB GLU A 39 4.043 0.990 8.701 1.00 0.00 C ATOM 608 CG GLU A 39 5.361 1.441 9.324 1.00 0.00 C ATOM 609 CD GLU A 39 5.086 2.483 10.409 1.00 0.00 C ATOM 610 OE1 GLU A 39 4.257 3.348 10.177 1.00 0.00 O ATOM 611 OE2 GLU A 39 5.710 2.399 11.454 1.00 0.00 O ATOM 0 H GLU A 39 5.949 0.518 7.328 1.00 0.00 H new ATOM 0 HA GLU A 39 3.120 1.091 6.740 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.201 1.424 9.239 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.942 -0.093 8.770 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.884 0.586 9.751 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.012 1.862 8.558 1.00 0.00 H new ATOM 618 N LYS A 40 5.225 3.487 6.776 1.00 0.00 N ATOM 619 CA LYS A 40 5.308 4.951 6.604 1.00 0.00 C ATOM 620 C LYS A 40 4.865 5.210 5.189 1.00 0.00 C ATOM 621 O LYS A 40 4.264 6.212 4.855 1.00 0.00 O ATOM 622 CB LYS A 40 6.777 5.342 6.761 1.00 0.00 C ATOM 623 CG LYS A 40 6.932 6.827 6.437 1.00 0.00 C ATOM 624 CD LYS A 40 8.308 7.301 6.897 1.00 0.00 C ATOM 625 CE LYS A 40 8.966 8.118 5.782 1.00 0.00 C ATOM 626 NZ LYS A 40 10.422 8.100 6.098 1.00 0.00 N ATOM 0 H LYS A 40 6.086 2.971 6.593 1.00 0.00 H new ATOM 0 HA LYS A 40 4.703 5.509 7.318 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.114 5.141 7.778 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.399 4.744 6.095 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.817 6.991 5.366 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.151 7.403 6.933 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.213 7.906 7.798 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.933 6.445 7.152 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.769 7.680 4.803 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.580 9.137 5.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.941 8.641 5.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.580 8.529 7.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.763 7.118 6.106 1.00 0.00 H new ATOM 640 N LYS A 41 5.167 4.258 4.361 1.00 0.00 N ATOM 641 CA LYS A 41 4.797 4.331 2.947 1.00 0.00 C ATOM 642 C LYS A 41 3.307 4.188 2.854 1.00 0.00 C ATOM 643 O LYS A 41 2.585 5.030 2.357 1.00 0.00 O ATOM 644 CB LYS A 41 5.400 3.085 2.344 1.00 0.00 C ATOM 645 CG LYS A 41 6.890 2.974 2.573 1.00 0.00 C ATOM 646 CD LYS A 41 7.504 4.342 2.816 1.00 0.00 C ATOM 647 CE LYS A 41 7.731 5.025 1.475 1.00 0.00 C ATOM 648 NZ LYS A 41 7.988 6.456 1.800 1.00 0.00 N ATOM 0 H LYS A 41 5.670 3.411 4.624 1.00 0.00 H new ATOM 0 HA LYS A 41 5.122 5.254 2.467 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.908 2.209 2.767 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.202 3.075 1.272 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.083 2.327 3.429 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.361 2.508 1.708 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.845 4.946 3.440 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.447 4.242 3.353 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.576 4.584 0.947 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.861 4.919 0.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.153 6.987 0.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.164 6.853 2.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.827 6.528 2.411 1.00 0.00 H new ATOM 662 N GLY A 42 2.862 3.090 3.379 1.00 0.00 N ATOM 663 CA GLY A 42 1.427 2.798 3.401 1.00 0.00 C ATOM 664 C GLY A 42 1.125 1.337 3.074 1.00 0.00 C ATOM 665 O GLY A 42 0.363 1.025 2.184 1.00 0.00 O ATOM 0 H GLY A 42 3.452 2.372 3.801 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.025 3.038 4.386 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.917 3.441 2.684 1.00 0.00 H new ATOM 669 N TRP A 43 1.670 0.444 3.844 1.00 0.00 N ATOM 670 CA TRP A 43 1.351 -1.000 3.665 1.00 0.00 C ATOM 671 C TRP A 43 0.940 -1.434 5.012 1.00 0.00 C ATOM 672 O TRP A 43 -0.088 -2.034 5.254 1.00 0.00 O ATOM 673 CB TRP A 43 2.582 -1.834 3.336 1.00 0.00 C ATOM 674 CG TRP A 43 3.554 -1.158 2.455 1.00 0.00 C ATOM 675 CD1 TRP A 43 3.804 0.151 2.452 1.00 0.00 C ATOM 676 CD2 TRP A 43 4.479 -1.741 1.487 1.00 0.00 C ATOM 677 NE1 TRP A 43 4.767 0.410 1.559 1.00 0.00 N ATOM 678 CE2 TRP A 43 5.240 -0.696 0.948 1.00 0.00 C ATOM 679 CE3 TRP A 43 4.735 -3.043 1.026 1.00 0.00 C ATOM 680 CZ2 TRP A 43 6.222 -0.893 0.008 1.00 0.00 C ATOM 681 CZ3 TRP A 43 5.732 -3.264 0.065 1.00 0.00 C ATOM 682 CH2 TRP A 43 6.484 -2.190 -0.442 1.00 0.00 C ATOM 0 H TRP A 43 2.328 0.651 4.596 1.00 0.00 H new ATOM 0 HA TRP A 43 0.623 -1.125 2.864 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.081 -2.108 4.266 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.262 -2.761 2.861 1.00 0.00 H new ATOM 0 HD1 TRP A 43 3.309 0.885 3.071 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.109 1.350 1.360 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.164 -3.874 1.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.785 -0.056 -0.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.923 -4.267 -0.288 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.259 -2.366 -1.174 1.00 0.00 H new ATOM 693 N ILE A 44 1.796 -1.051 5.896 1.00 0.00 N ATOM 694 CA ILE A 44 1.641 -1.294 7.330 1.00 0.00 C ATOM 695 C ILE A 44 2.133 -2.669 7.707 1.00 0.00 C ATOM 696 O ILE A 44 1.850 -3.179 8.773 1.00 0.00 O ATOM 697 CB ILE A 44 0.175 -1.173 7.647 1.00 0.00 C ATOM 698 CG1 ILE A 44 -0.413 0.029 6.925 1.00 0.00 C ATOM 699 CG2 ILE A 44 0.032 -0.987 9.155 1.00 0.00 C ATOM 700 CD1 ILE A 44 -1.814 -0.327 6.433 1.00 0.00 C ATOM 0 H ILE A 44 2.650 -0.547 5.659 1.00 0.00 H new ATOM 0 HA ILE A 44 2.230 -0.571 7.895 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.356 -2.068 7.322 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.456 0.888 7.595 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.221 0.312 6.085 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.023 -0.896 9.412 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.458 -1.848 9.670 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.559 -0.083 9.462 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.245 0.529 5.913 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.755 -1.175 5.750 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.443 -0.589 7.284 1.00 0.00 H new ATOM 712 N VAL A 45 2.847 -3.262 6.821 1.00 0.00 N ATOM 713 CA VAL A 45 3.388 -4.628 7.046 1.00 0.00 C ATOM 714 C VAL A 45 3.646 -4.876 8.537 1.00 0.00 C ATOM 715 O VAL A 45 4.641 -4.454 9.088 1.00 0.00 O ATOM 716 CB VAL A 45 4.689 -4.638 6.262 1.00 0.00 C ATOM 717 CG1 VAL A 45 4.385 -4.674 4.761 1.00 0.00 C ATOM 718 CG2 VAL A 45 5.503 -3.384 6.600 1.00 0.00 C ATOM 0 H VAL A 45 3.092 -2.854 5.919 1.00 0.00 H new ATOM 0 HA VAL A 45 2.699 -5.411 6.728 1.00 0.00 H new ATOM 0 HB VAL A 45 5.267 -5.522 6.530 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.320 -4.681 4.201 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.815 -5.573 4.527 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.804 -3.794 4.486 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.436 -3.393 6.037 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.929 -2.496 6.337 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.724 -3.370 7.667 1.00 0.00 H new ATOM 728 N ASN A 46 2.741 -5.545 9.193 1.00 0.00 N ATOM 729 CA ASN A 46 2.916 -5.806 10.648 1.00 0.00 C ATOM 730 C ASN A 46 1.783 -6.702 11.156 1.00 0.00 C ATOM 731 O ASN A 46 2.001 -7.826 11.562 1.00 0.00 O ATOM 732 CB ASN A 46 2.844 -4.422 11.292 1.00 0.00 C ATOM 733 CG ASN A 46 2.702 -4.560 12.807 1.00 0.00 C ATOM 734 OD1 ASN A 46 2.687 -5.656 13.332 1.00 0.00 O ATOM 735 ND2 ASN A 46 2.596 -3.483 13.536 1.00 0.00 N ATOM 0 H ASN A 46 1.886 -5.923 8.784 1.00 0.00 H new ATOM 0 HA ASN A 46 3.850 -6.318 10.880 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.742 -3.853 11.053 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.998 -3.867 10.888 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.500 -3.560 14.549 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.609 -2.564 13.093 1.00 0.00 H new ATOM 742 N ILE A 47 0.574 -6.213 11.128 1.00 0.00 N ATOM 743 CA ILE A 47 -0.577 -7.035 11.597 1.00 0.00 C ATOM 744 C ILE A 47 -1.823 -6.704 10.771 1.00 0.00 C ATOM 745 O ILE A 47 -2.056 -5.568 10.411 1.00 0.00 O ATOM 746 CB ILE A 47 -0.784 -6.646 13.061 1.00 0.00 C ATOM 747 CG1 ILE A 47 -1.869 -7.537 13.670 1.00 0.00 C ATOM 748 CG2 ILE A 47 -1.223 -5.182 13.145 1.00 0.00 C ATOM 749 CD1 ILE A 47 -1.872 -7.374 15.191 1.00 0.00 C ATOM 0 H ILE A 47 0.333 -5.278 10.800 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.392 -8.104 11.489 1.00 0.00 H new ATOM 0 HB ILE A 47 0.149 -6.776 13.609 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.844 -7.269 13.263 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.689 -8.579 13.406 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.370 -4.906 14.189 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.454 -4.546 12.706 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.158 -5.051 12.600 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.645 -8.009 15.623 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.900 -7.663 15.590 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.073 -6.333 15.445 1.00 0.00 H new ATOM 761 N THR A 48 -2.623 -7.687 10.464 1.00 0.00 N ATOM 762 CA THR A 48 -3.849 -7.422 9.660 1.00 0.00 C ATOM 763 C THR A 48 -5.038 -7.145 10.583 1.00 0.00 C ATOM 764 O THR A 48 -5.805 -8.030 10.904 1.00 0.00 O ATOM 765 CB THR A 48 -4.080 -8.700 8.855 1.00 0.00 C ATOM 766 OG1 THR A 48 -2.941 -8.957 8.044 1.00 0.00 O ATOM 767 CG2 THR A 48 -5.314 -8.530 7.968 1.00 0.00 C ATOM 0 H THR A 48 -2.482 -8.660 10.734 1.00 0.00 H new ATOM 0 HA THR A 48 -3.739 -6.550 9.015 1.00 0.00 H new ATOM 0 HB THR A 48 -4.239 -9.537 9.535 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.085 -9.777 7.528 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.478 -9.442 7.394 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.186 -8.332 8.592 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.159 -7.695 7.285 1.00 0.00 H new ATOM 775 N SER A 49 -5.198 -5.922 11.008 1.00 0.00 N ATOM 776 CA SER A 49 -6.339 -5.589 11.910 1.00 0.00 C ATOM 777 C SER A 49 -6.962 -4.252 11.500 1.00 0.00 C ATOM 778 O SER A 49 -6.488 -3.585 10.601 1.00 0.00 O ATOM 779 CB SER A 49 -5.727 -5.494 13.306 1.00 0.00 C ATOM 780 OG SER A 49 -6.553 -4.676 14.126 1.00 0.00 O ATOM 0 H SER A 49 -4.589 -5.139 10.771 1.00 0.00 H new ATOM 0 HA SER A 49 -7.133 -6.335 11.866 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.632 -6.488 13.743 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.723 -5.074 13.248 1.00 0.00 H new ATOM 0 HG SER A 49 -6.164 -4.614 15.023 1.00 0.00 H new ATOM 786 N GLN A 50 -8.022 -3.856 12.151 1.00 0.00 N ATOM 787 CA GLN A 50 -8.674 -2.564 11.795 1.00 0.00 C ATOM 788 C GLN A 50 -7.701 -1.399 11.998 1.00 0.00 C ATOM 789 O GLN A 50 -7.571 -0.866 13.082 1.00 0.00 O ATOM 790 CB GLN A 50 -9.862 -2.441 12.749 1.00 0.00 C ATOM 791 CG GLN A 50 -10.579 -1.114 12.499 1.00 0.00 C ATOM 792 CD GLN A 50 -11.949 -1.133 13.180 1.00 0.00 C ATOM 793 OE1 GLN A 50 -12.133 -0.525 14.216 1.00 0.00 O ATOM 794 NE2 GLN A 50 -12.924 -1.810 12.638 1.00 0.00 N ATOM 0 H GLN A 50 -8.464 -4.371 12.913 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.984 -2.537 10.750 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -10.550 -3.273 12.599 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.519 -2.493 13.782 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.981 -0.288 12.885 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.697 -0.949 11.428 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -12.769 -2.320 11.768 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -13.841 -1.829 13.084 1.00 0.00 H new ATOM 803 N VAL A 51 -7.021 -0.997 10.960 1.00 0.00 N ATOM 804 CA VAL A 51 -6.058 0.137 11.088 1.00 0.00 C ATOM 805 C VAL A 51 -6.374 1.207 10.039 1.00 0.00 C ATOM 806 O VAL A 51 -5.614 1.431 9.118 1.00 0.00 O ATOM 807 CB VAL A 51 -4.683 -0.479 10.831 1.00 0.00 C ATOM 808 CG1 VAL A 51 -4.665 -1.131 9.446 1.00 0.00 C ATOM 809 CG2 VAL A 51 -3.614 0.615 10.891 1.00 0.00 C ATOM 0 H VAL A 51 -7.089 -1.404 10.027 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.108 0.619 12.064 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.477 -1.233 11.591 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.684 -1.570 9.263 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.426 -1.910 9.401 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.872 -0.377 8.686 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.633 0.176 10.708 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.822 1.369 10.132 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.625 1.080 11.877 1.00 0.00 H new ATOM 819 N GLN A 52 -7.492 1.866 10.169 1.00 0.00 N ATOM 820 CA GLN A 52 -7.861 2.916 9.176 1.00 0.00 C ATOM 821 C GLN A 52 -6.981 4.156 9.353 1.00 0.00 C ATOM 822 O GLN A 52 -6.765 4.628 10.451 1.00 0.00 O ATOM 823 CB GLN A 52 -9.321 3.250 9.478 1.00 0.00 C ATOM 824 CG GLN A 52 -9.404 3.977 10.817 1.00 0.00 C ATOM 825 CD GLN A 52 -10.637 3.499 11.586 1.00 0.00 C ATOM 826 OE1 GLN A 52 -10.565 2.547 12.339 1.00 0.00 O ATOM 827 NE2 GLN A 52 -11.772 4.122 11.430 1.00 0.00 N ATOM 0 H GLN A 52 -8.167 1.723 10.920 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.721 2.576 8.150 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.735 3.874 8.686 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -9.916 2.337 9.509 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.503 3.788 11.401 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.459 5.053 10.655 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.833 4.921 10.798 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -12.599 3.811 11.940 1.00 0.00 H new ATOM 836 N THR A 53 -6.477 4.689 8.272 1.00 0.00 N ATOM 837 CA THR A 53 -5.614 5.903 8.368 1.00 0.00 C ATOM 838 C THR A 53 -5.975 6.888 7.252 1.00 0.00 C ATOM 839 O THR A 53 -6.495 6.508 6.221 1.00 0.00 O ATOM 840 CB THR A 53 -4.184 5.388 8.190 1.00 0.00 C ATOM 841 OG1 THR A 53 -4.029 4.873 6.875 1.00 0.00 O ATOM 842 CG2 THR A 53 -3.906 4.281 9.210 1.00 0.00 C ATOM 0 H THR A 53 -6.625 4.336 7.326 1.00 0.00 H new ATOM 0 HA THR A 53 -5.739 6.430 9.314 1.00 0.00 H new ATOM 0 HB THR A 53 -3.481 6.206 8.346 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.100 4.990 6.585 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.887 3.915 9.082 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.025 4.677 10.218 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.608 3.461 9.057 1.00 0.00 H new ATOM 850 N GLU A 54 -5.708 8.150 7.447 1.00 0.00 N ATOM 851 CA GLU A 54 -6.043 9.152 6.393 1.00 0.00 C ATOM 852 C GLU A 54 -4.828 9.411 5.497 1.00 0.00 C ATOM 853 O GLU A 54 -4.486 10.540 5.210 1.00 0.00 O ATOM 854 CB GLU A 54 -6.427 10.420 7.157 1.00 0.00 C ATOM 855 CG GLU A 54 -7.348 11.279 6.286 1.00 0.00 C ATOM 856 CD GLU A 54 -8.799 11.085 6.729 1.00 0.00 C ATOM 857 OE1 GLU A 54 -9.007 10.441 7.744 1.00 0.00 O ATOM 858 OE2 GLU A 54 -9.678 11.582 6.044 1.00 0.00 O ATOM 0 H GLU A 54 -5.274 8.531 8.288 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.847 8.809 5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.929 10.159 8.089 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.532 10.982 7.424 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.069 12.329 6.369 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.237 11.002 5.238 1.00 0.00 H new ATOM 865 N ARG A 55 -4.177 8.372 5.049 1.00 0.00 N ATOM 866 CA ARG A 55 -2.989 8.560 4.166 1.00 0.00 C ATOM 867 C ARG A 55 -2.111 9.699 4.692 1.00 0.00 C ATOM 868 O ARG A 55 -2.252 10.137 5.815 1.00 0.00 O ATOM 869 CB ARG A 55 -3.570 8.916 2.797 1.00 0.00 C ATOM 870 CG ARG A 55 -2.728 8.266 1.696 1.00 0.00 C ATOM 871 CD ARG A 55 -3.090 6.783 1.583 1.00 0.00 C ATOM 872 NE ARG A 55 -1.829 6.056 1.899 1.00 0.00 N ATOM 873 CZ ARG A 55 -1.230 5.358 0.975 1.00 0.00 C ATOM 874 NH1 ARG A 55 -0.900 5.919 -0.156 1.00 0.00 N ATOM 875 NH2 ARG A 55 -0.959 4.098 1.181 1.00 0.00 N ATOM 0 H ARG A 55 -4.415 7.402 5.256 1.00 0.00 H new ATOM 0 HA ARG A 55 -2.359 7.671 4.124 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -4.603 8.574 2.729 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.584 9.998 2.667 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -2.905 8.768 0.745 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.667 8.376 1.922 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.885 6.516 2.279 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.447 6.538 0.583 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.434 6.104 2.838 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.111 6.904 -0.317 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.431 5.373 -0.879 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.216 3.659 2.065 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.490 3.552 0.458 1.00 0.00 H new ATOM 889 N ASN A 56 -1.205 10.182 3.885 1.00 0.00 N ATOM 890 CA ASN A 56 -0.319 11.292 4.342 1.00 0.00 C ATOM 891 C ASN A 56 -0.233 12.377 3.263 1.00 0.00 C ATOM 892 O ASN A 56 0.710 12.431 2.499 1.00 0.00 O ATOM 893 CB ASN A 56 1.047 10.641 4.563 1.00 0.00 C ATOM 894 CG ASN A 56 1.036 9.869 5.884 1.00 0.00 C ATOM 895 OD1 ASN A 56 0.590 8.739 5.938 1.00 0.00 O ATOM 896 ND2 ASN A 56 1.513 10.434 6.960 1.00 0.00 N ATOM 0 H ASN A 56 -1.040 9.858 2.932 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.690 11.774 5.246 1.00 0.00 H new ATOM 0 HB2 ASN A 56 1.279 9.968 3.738 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.826 11.403 4.581 1.00 0.00 H new ATOM 0 HD21 ASN A 56 1.511 9.928 7.845 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.887 11.382 6.915 1.00 0.00 H new ATOM 903 N ILE A 57 -1.209 13.240 3.198 1.00 0.00 N ATOM 904 CA ILE A 57 -1.181 14.320 2.170 1.00 0.00 C ATOM 905 C ILE A 57 -0.915 13.722 0.787 1.00 0.00 C ATOM 906 O ILE A 57 0.019 14.095 0.106 1.00 0.00 O ATOM 907 CB ILE A 57 -0.031 15.236 2.592 1.00 0.00 C ATOM 908 CG1 ILE A 57 -0.117 15.501 4.097 1.00 0.00 C ATOM 909 CG2 ILE A 57 -0.129 16.563 1.836 1.00 0.00 C ATOM 910 CD1 ILE A 57 0.933 16.540 4.494 1.00 0.00 C ATOM 0 H ILE A 57 -2.024 13.245 3.811 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.127 14.858 2.106 1.00 0.00 H new ATOM 0 HB ILE A 57 0.919 14.755 2.359 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.113 15.858 4.358 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.045 14.576 4.650 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.691 17.215 2.137 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -0.069 16.376 0.764 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.079 17.044 2.068 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.871 16.728 5.566 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.927 16.166 4.248 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.750 17.468 3.951 1.00 0.00 H new ATOM 922 N ASN A 58 -1.730 12.794 0.369 1.00 0.00 N ATOM 923 CA ASN A 58 -1.524 12.168 -0.968 1.00 0.00 C ATOM 924 C ASN A 58 -2.703 12.493 -1.888 1.00 0.00 C ATOM 925 O ASN A 58 -2.932 11.829 -2.879 1.00 0.00 O ATOM 926 CB ASN A 58 -1.451 10.667 -0.694 1.00 0.00 C ATOM 927 CG ASN A 58 -0.250 10.375 0.207 1.00 0.00 C ATOM 928 OD1 ASN A 58 -0.355 10.429 1.416 1.00 0.00 O ATOM 929 ND2 ASN A 58 0.896 10.067 -0.335 1.00 0.00 N ATOM 0 H ASN A 58 -2.530 12.442 0.895 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.625 12.534 -1.464 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.370 10.328 -0.216 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.359 10.119 -1.632 1.00 0.00 H new ATOM 0 HD21 ASN A 58 1.704 9.872 0.256 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.984 10.022 -1.350 1.00 0.00 H new ATOM 936 N ARG A 59 -3.448 13.513 -1.566 1.00 0.00 N ATOM 937 CA ARG A 59 -4.611 13.887 -2.420 1.00 0.00 C ATOM 938 C ARG A 59 -4.193 14.945 -3.443 1.00 0.00 C ATOM 939 O ARG A 59 -4.386 14.786 -4.632 1.00 0.00 O ATOM 940 CB ARG A 59 -5.644 14.458 -1.450 1.00 0.00 C ATOM 941 CG ARG A 59 -6.873 13.547 -1.411 1.00 0.00 C ATOM 942 CD ARG A 59 -7.876 13.998 -2.475 1.00 0.00 C ATOM 943 NE ARG A 59 -8.901 12.918 -2.520 1.00 0.00 N ATOM 944 CZ ARG A 59 -10.156 13.201 -2.298 1.00 0.00 C ATOM 945 NH1 ARG A 59 -10.483 14.001 -1.320 1.00 0.00 N ATOM 946 NH2 ARG A 59 -11.083 12.678 -3.051 1.00 0.00 N ATOM 0 H ARG A 59 -3.302 14.105 -0.748 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.004 13.039 -2.981 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.212 14.545 -0.453 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.933 15.462 -1.761 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.578 12.513 -1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.334 13.582 -0.424 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.324 14.957 -2.214 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.393 14.125 -3.444 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.623 11.958 -2.724 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.758 14.406 -0.728 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.464 14.221 -1.148 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.827 12.049 -3.812 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -12.064 12.898 -2.879 1.00 0.00 H new ATOM 960 N ALA A 60 -3.620 16.026 -2.988 1.00 0.00 N ATOM 961 CA ALA A 60 -3.188 17.095 -3.933 1.00 0.00 C ATOM 962 C ALA A 60 -2.007 16.608 -4.776 1.00 0.00 C ATOM 963 O ALA A 60 -2.249 16.071 -5.844 1.00 0.00 O ATOM 964 CB ALA A 60 -2.767 18.265 -3.043 1.00 0.00 C ATOM 965 OXT ALA A 60 -0.882 16.781 -4.339 1.00 0.00 O ATOM 0 H ALA A 60 -3.432 16.215 -2.003 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.979 17.377 -4.628 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.435 19.095 -3.666 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.614 18.584 -2.436 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.952 17.951 -2.391 1.00 0.00 H new TER 971 ALA A 60 ATOM 972 N MET B 1 23.062 -10.099 -36.598 1.00 0.00 N ATOM 973 CA MET B 1 23.885 -10.461 -35.408 1.00 0.00 C ATOM 974 C MET B 1 23.620 -9.479 -34.264 1.00 0.00 C ATOM 975 O MET B 1 24.511 -8.797 -33.800 1.00 0.00 O ATOM 976 CB MET B 1 25.335 -10.354 -35.881 1.00 0.00 C ATOM 977 CG MET B 1 25.795 -11.707 -36.425 1.00 0.00 C ATOM 978 SD MET B 1 26.992 -11.446 -37.755 1.00 0.00 S ATOM 979 CE MET B 1 27.020 -13.146 -38.373 1.00 0.00 C ATOM 0 H1 MET B 1 23.250 -10.772 -37.368 1.00 0.00 H new ATOM 0 H2 MET B 1 22.054 -10.134 -36.346 1.00 0.00 H new ATOM 0 H3 MET B 1 23.308 -9.138 -36.911 1.00 0.00 H new ATOM 0 HA MET B 1 23.652 -11.457 -35.032 1.00 0.00 H new ATOM 0 HB2 MET B 1 25.421 -9.591 -36.654 1.00 0.00 H new ATOM 0 HB3 MET B 1 25.976 -10.045 -35.055 1.00 0.00 H new ATOM 0 HG2 MET B 1 26.245 -12.298 -35.627 1.00 0.00 H new ATOM 0 HG3 MET B 1 24.940 -12.272 -36.796 1.00 0.00 H new ATOM 0 HE1 MET B 1 27.709 -13.216 -39.215 1.00 0.00 H new ATOM 0 HE2 MET B 1 27.348 -13.817 -37.579 1.00 0.00 H new ATOM 0 HE3 MET B 1 26.020 -13.431 -38.699 1.00 0.00 H new ATOM 991 N GLY B 2 22.400 -9.403 -33.808 1.00 0.00 N ATOM 992 CA GLY B 2 22.081 -8.467 -32.694 1.00 0.00 C ATOM 993 C GLY B 2 21.590 -7.136 -33.265 1.00 0.00 C ATOM 994 O GLY B 2 22.376 -6.321 -33.709 1.00 0.00 O ATOM 0 H GLY B 2 21.612 -9.948 -34.158 1.00 0.00 H new ATOM 0 HA2 GLY B 2 21.317 -8.901 -32.049 1.00 0.00 H new ATOM 0 HA3 GLY B 2 22.965 -8.305 -32.077 1.00 0.00 H new ATOM 998 N PRO B 3 20.298 -6.961 -33.234 1.00 0.00 N ATOM 999 CA PRO B 3 19.681 -5.714 -33.753 1.00 0.00 C ATOM 1000 C PRO B 3 19.949 -4.569 -32.778 1.00 0.00 C ATOM 1001 O PRO B 3 20.194 -3.443 -33.164 1.00 0.00 O ATOM 1002 CB PRO B 3 18.191 -6.040 -33.782 1.00 0.00 C ATOM 1003 CG PRO B 3 18.016 -7.101 -32.743 1.00 0.00 C ATOM 1004 CD PRO B 3 19.295 -7.895 -32.713 1.00 0.00 C ATOM 0 HA PRO B 3 20.068 -5.409 -34.725 1.00 0.00 H new ATOM 0 HB2 PRO B 3 17.588 -5.160 -33.556 1.00 0.00 H new ATOM 0 HB3 PRO B 3 17.882 -6.394 -34.766 1.00 0.00 H new ATOM 0 HG2 PRO B 3 17.813 -6.658 -31.768 1.00 0.00 H new ATOM 0 HG3 PRO B 3 17.168 -7.742 -32.984 1.00 0.00 H new ATOM 0 HD2 PRO B 3 19.539 -8.222 -31.702 1.00 0.00 H new ATOM 0 HD3 PRO B 3 19.224 -8.791 -33.329 1.00 0.00 H new ATOM 1012 N LEU B 4 19.894 -4.865 -31.512 1.00 0.00 N ATOM 1013 CA LEU B 4 20.129 -3.825 -30.475 1.00 0.00 C ATOM 1014 C LEU B 4 20.631 -4.497 -29.197 1.00 0.00 C ATOM 1015 O LEU B 4 21.049 -5.638 -29.215 1.00 0.00 O ATOM 1016 CB LEU B 4 18.752 -3.204 -30.245 1.00 0.00 C ATOM 1017 CG LEU B 4 18.884 -1.686 -30.103 1.00 0.00 C ATOM 1018 CD1 LEU B 4 18.883 -1.040 -31.489 1.00 0.00 C ATOM 1019 CD2 LEU B 4 17.703 -1.149 -29.293 1.00 0.00 C ATOM 0 H LEU B 4 19.693 -5.796 -31.147 1.00 0.00 H new ATOM 0 HA LEU B 4 20.870 -3.082 -30.769 1.00 0.00 H new ATOM 0 HB2 LEU B 4 18.091 -3.444 -31.078 1.00 0.00 H new ATOM 0 HB3 LEU B 4 18.299 -3.624 -29.347 1.00 0.00 H new ATOM 0 HG LEU B 4 19.818 -1.449 -29.593 1.00 0.00 H new ATOM 0 HD11 LEU B 4 18.977 0.041 -31.387 1.00 0.00 H new ATOM 0 HD12 LEU B 4 19.722 -1.424 -32.070 1.00 0.00 H new ATOM 0 HD13 LEU B 4 17.950 -1.276 -32.000 1.00 0.00 H new ATOM 0 HD21 LEU B 4 17.794 -0.068 -29.190 1.00 0.00 H new ATOM 0 HD22 LEU B 4 16.771 -1.387 -29.806 1.00 0.00 H new ATOM 0 HD23 LEU B 4 17.701 -1.609 -28.305 1.00 0.00 H new ATOM 1031 N GLN B 5 20.577 -3.822 -28.083 1.00 0.00 N ATOM 1032 CA GLN B 5 21.037 -4.468 -26.821 1.00 0.00 C ATOM 1033 C GLN B 5 20.415 -5.860 -26.730 1.00 0.00 C ATOM 1034 O GLN B 5 20.944 -6.754 -26.099 1.00 0.00 O ATOM 1035 CB GLN B 5 20.532 -3.566 -25.694 1.00 0.00 C ATOM 1036 CG GLN B 5 19.021 -3.738 -25.530 1.00 0.00 C ATOM 1037 CD GLN B 5 18.471 -2.604 -24.662 1.00 0.00 C ATOM 1038 OE1 GLN B 5 18.307 -1.493 -25.125 1.00 0.00 O ATOM 1039 NE2 GLN B 5 18.178 -2.839 -23.411 1.00 0.00 N ATOM 0 H GLN B 5 20.239 -2.864 -27.991 1.00 0.00 H new ATOM 0 HA GLN B 5 22.120 -4.584 -26.769 1.00 0.00 H new ATOM 0 HB2 GLN B 5 21.039 -3.815 -24.762 1.00 0.00 H new ATOM 0 HB3 GLN B 5 20.767 -2.525 -25.916 1.00 0.00 H new ATOM 0 HG2 GLN B 5 18.535 -3.732 -26.506 1.00 0.00 H new ATOM 0 HG3 GLN B 5 18.801 -4.702 -25.070 1.00 0.00 H new ATOM 0 HE21 GLN B 5 18.315 -3.772 -23.022 1.00 0.00 H new ATOM 0 HE22 GLN B 5 17.812 -2.090 -22.824 1.00 0.00 H new ATOM 1048 N TYR B 6 19.295 -6.047 -27.375 1.00 0.00 N ATOM 1049 CA TYR B 6 18.624 -7.375 -27.359 1.00 0.00 C ATOM 1050 C TYR B 6 18.324 -7.817 -25.925 1.00 0.00 C ATOM 1051 O TYR B 6 18.789 -7.228 -24.970 1.00 0.00 O ATOM 1052 CB TYR B 6 19.625 -8.325 -28.017 1.00 0.00 C ATOM 1053 CG TYR B 6 18.921 -9.599 -28.408 1.00 0.00 C ATOM 1054 CD1 TYR B 6 18.847 -10.662 -27.502 1.00 0.00 C ATOM 1055 CD2 TYR B 6 18.339 -9.718 -29.677 1.00 0.00 C ATOM 1056 CE1 TYR B 6 18.193 -11.844 -27.862 1.00 0.00 C ATOM 1057 CE2 TYR B 6 17.685 -10.901 -30.038 1.00 0.00 C ATOM 1058 CZ TYR B 6 17.612 -11.964 -29.130 1.00 0.00 C ATOM 1059 OH TYR B 6 16.967 -13.131 -29.485 1.00 0.00 O ATOM 0 H TYR B 6 18.814 -5.329 -27.916 1.00 0.00 H new ATOM 0 HA TYR B 6 17.667 -7.356 -27.881 1.00 0.00 H new ATOM 0 HB2 TYR B 6 20.066 -7.855 -28.896 1.00 0.00 H new ATOM 0 HB3 TYR B 6 20.442 -8.544 -27.329 1.00 0.00 H new ATOM 0 HD1 TYR B 6 19.295 -10.570 -26.524 1.00 0.00 H new ATOM 0 HD2 TYR B 6 18.395 -8.897 -30.376 1.00 0.00 H new ATOM 0 HE1 TYR B 6 18.136 -12.664 -27.162 1.00 0.00 H new ATOM 0 HE2 TYR B 6 17.237 -10.994 -31.016 1.00 0.00 H new ATOM 0 HH TYR B 6 16.620 -13.048 -30.398 1.00 0.00 H new ATOM 1069 N LYS B 7 17.546 -8.854 -25.770 1.00 0.00 N ATOM 1070 CA LYS B 7 17.212 -9.341 -24.401 1.00 0.00 C ATOM 1071 C LYS B 7 17.205 -10.870 -24.371 1.00 0.00 C ATOM 1072 O LYS B 7 17.727 -11.521 -25.254 1.00 0.00 O ATOM 1073 CB LYS B 7 15.811 -8.799 -24.117 1.00 0.00 C ATOM 1074 CG LYS B 7 15.816 -7.275 -24.249 1.00 0.00 C ATOM 1075 CD LYS B 7 14.768 -6.678 -23.307 1.00 0.00 C ATOM 1076 CE LYS B 7 13.410 -6.634 -24.013 1.00 0.00 C ATOM 1077 NZ LYS B 7 12.413 -6.473 -22.918 1.00 0.00 N ATOM 0 H LYS B 7 17.127 -9.385 -26.533 1.00 0.00 H new ATOM 0 HA LYS B 7 17.938 -9.009 -23.659 1.00 0.00 H new ATOM 0 HB2 LYS B 7 15.094 -9.232 -24.814 1.00 0.00 H new ATOM 0 HB3 LYS B 7 15.495 -9.087 -23.114 1.00 0.00 H new ATOM 0 HG2 LYS B 7 16.804 -6.882 -24.008 1.00 0.00 H new ATOM 0 HG3 LYS B 7 15.601 -6.988 -25.278 1.00 0.00 H new ATOM 0 HD2 LYS B 7 14.698 -7.276 -22.398 1.00 0.00 H new ATOM 0 HD3 LYS B 7 15.065 -5.674 -23.005 1.00 0.00 H new ATOM 0 HE2 LYS B 7 13.359 -5.805 -24.719 1.00 0.00 H new ATOM 0 HE3 LYS B 7 13.230 -7.547 -24.580 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 11.456 -6.435 -23.323 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 12.481 -7.280 -22.265 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 12.605 -5.592 -22.400 1.00 0.00 H new ATOM 1091 N ASP B 8 16.612 -11.445 -23.362 1.00 0.00 N ATOM 1092 CA ASP B 8 16.567 -12.931 -23.271 1.00 0.00 C ATOM 1093 C ASP B 8 15.140 -13.396 -22.966 1.00 0.00 C ATOM 1094 O ASP B 8 14.213 -12.609 -22.935 1.00 0.00 O ATOM 1095 CB ASP B 8 17.504 -13.285 -22.116 1.00 0.00 C ATOM 1096 CG ASP B 8 18.918 -13.504 -22.656 1.00 0.00 C ATOM 1097 OD1 ASP B 8 19.121 -14.488 -23.348 1.00 0.00 O ATOM 1098 OD2 ASP B 8 19.774 -12.684 -22.369 1.00 0.00 O ATOM 0 H ASP B 8 16.156 -10.949 -22.596 1.00 0.00 H new ATOM 0 HA ASP B 8 16.868 -13.413 -24.201 1.00 0.00 H new ATOM 0 HB2 ASP B 8 17.506 -12.484 -21.376 1.00 0.00 H new ATOM 0 HB3 ASP B 8 17.153 -14.185 -21.611 1.00 0.00 H new ATOM 1103 N LEU B 9 14.956 -14.667 -22.740 1.00 0.00 N ATOM 1104 CA LEU B 9 13.590 -15.180 -22.436 1.00 0.00 C ATOM 1105 C LEU B 9 13.616 -16.049 -21.175 1.00 0.00 C ATOM 1106 O LEU B 9 14.659 -16.291 -20.600 1.00 0.00 O ATOM 1107 CB LEU B 9 13.198 -16.013 -23.657 1.00 0.00 C ATOM 1108 CG LEU B 9 14.273 -17.066 -23.923 1.00 0.00 C ATOM 1109 CD1 LEU B 9 13.605 -18.403 -24.246 1.00 0.00 C ATOM 1110 CD2 LEU B 9 15.132 -16.624 -25.110 1.00 0.00 C ATOM 0 H LEU B 9 15.692 -15.373 -22.753 1.00 0.00 H new ATOM 0 HA LEU B 9 12.880 -14.375 -22.248 1.00 0.00 H new ATOM 0 HB2 LEU B 9 12.235 -16.496 -23.487 1.00 0.00 H new ATOM 0 HB3 LEU B 9 13.082 -15.368 -24.528 1.00 0.00 H new ATOM 0 HG LEU B 9 14.902 -17.178 -23.040 1.00 0.00 H new ATOM 0 HD11 LEU B 9 14.370 -19.156 -24.436 1.00 0.00 H new ATOM 0 HD12 LEU B 9 12.990 -18.716 -23.402 1.00 0.00 H new ATOM 0 HD13 LEU B 9 12.978 -18.292 -25.130 1.00 0.00 H new ATOM 0 HD21 LEU B 9 15.900 -17.373 -25.302 1.00 0.00 H new ATOM 0 HD22 LEU B 9 14.503 -16.514 -25.993 1.00 0.00 H new ATOM 0 HD23 LEU B 9 15.606 -15.669 -24.881 1.00 0.00 H new ATOM 1122 N LYS B 10 12.478 -16.516 -20.742 1.00 0.00 N ATOM 1123 CA LYS B 10 12.436 -17.366 -19.517 1.00 0.00 C ATOM 1124 C LYS B 10 12.866 -16.553 -18.292 1.00 0.00 C ATOM 1125 O LYS B 10 13.772 -16.928 -17.573 1.00 0.00 O ATOM 1126 CB LYS B 10 13.428 -18.498 -19.785 1.00 0.00 C ATOM 1127 CG LYS B 10 12.888 -19.799 -19.186 1.00 0.00 C ATOM 1128 CD LYS B 10 14.040 -20.593 -18.566 1.00 0.00 C ATOM 1129 CE LYS B 10 14.356 -20.033 -17.179 1.00 0.00 C ATOM 1130 NZ LYS B 10 15.806 -20.306 -16.975 1.00 0.00 N ATOM 0 H LYS B 10 11.574 -16.346 -21.183 1.00 0.00 H new ATOM 0 HA LYS B 10 11.434 -17.743 -19.311 1.00 0.00 H new ATOM 0 HB2 LYS B 10 13.582 -18.615 -20.858 1.00 0.00 H new ATOM 0 HB3 LYS B 10 14.397 -18.258 -19.348 1.00 0.00 H new ATOM 0 HG2 LYS B 10 12.136 -19.578 -18.429 1.00 0.00 H new ATOM 0 HG3 LYS B 10 12.398 -20.392 -19.959 1.00 0.00 H new ATOM 0 HD2 LYS B 10 13.771 -21.647 -18.492 1.00 0.00 H new ATOM 0 HD3 LYS B 10 14.922 -20.533 -19.204 1.00 0.00 H new ATOM 0 HE2 LYS B 10 14.144 -18.965 -17.127 1.00 0.00 H new ATOM 0 HE3 LYS B 10 13.751 -20.516 -16.411 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 16.098 -19.950 -16.043 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 15.976 -21.331 -17.023 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 16.357 -19.828 -17.716 1.00 0.00 H new ATOM 1144 N ILE B 11 12.223 -15.445 -18.048 1.00 0.00 N ATOM 1145 CA ILE B 11 12.595 -14.611 -16.869 1.00 0.00 C ATOM 1146 C ILE B 11 11.379 -14.390 -15.964 1.00 0.00 C ATOM 1147 O ILE B 11 10.832 -15.320 -15.407 1.00 0.00 O ATOM 1148 CB ILE B 11 13.095 -13.285 -17.449 1.00 0.00 C ATOM 1149 CG1 ILE B 11 12.196 -12.849 -18.609 1.00 0.00 C ATOM 1150 CG2 ILE B 11 14.521 -13.451 -17.943 1.00 0.00 C ATOM 1151 CD1 ILE B 11 12.289 -11.333 -18.784 1.00 0.00 C ATOM 0 H ILE B 11 11.456 -15.080 -18.613 1.00 0.00 H new ATOM 0 HA ILE B 11 13.357 -15.090 -16.254 1.00 0.00 H new ATOM 0 HB ILE B 11 13.067 -12.522 -16.671 1.00 0.00 H new ATOM 0 HG12 ILE B 11 12.500 -13.351 -19.527 1.00 0.00 H new ATOM 0 HG13 ILE B 11 11.164 -13.141 -18.413 1.00 0.00 H new ATOM 0 HG21 ILE B 11 14.875 -12.506 -18.356 1.00 0.00 H new ATOM 0 HG22 ILE B 11 15.162 -13.747 -17.112 1.00 0.00 H new ATOM 0 HG23 ILE B 11 14.551 -14.219 -18.716 1.00 0.00 H new ATOM 0 HD11 ILE B 11 11.649 -11.022 -19.610 1.00 0.00 H new ATOM 0 HD12 ILE B 11 11.964 -10.840 -17.868 1.00 0.00 H new ATOM 0 HD13 ILE B 11 13.320 -11.054 -18.999 1.00 0.00 H new ATOM 1163 N ASP B 12 10.959 -13.164 -15.811 1.00 0.00 N ATOM 1164 CA ASP B 12 9.793 -12.864 -14.947 1.00 0.00 C ATOM 1165 C ASP B 12 9.818 -13.727 -13.680 1.00 0.00 C ATOM 1166 O ASP B 12 10.448 -13.385 -12.699 1.00 0.00 O ATOM 1167 CB ASP B 12 8.567 -13.181 -15.804 1.00 0.00 C ATOM 1168 CG ASP B 12 8.536 -12.249 -17.016 1.00 0.00 C ATOM 1169 OD1 ASP B 12 8.190 -11.092 -16.841 1.00 0.00 O ATOM 1170 OD2 ASP B 12 8.860 -12.707 -18.099 1.00 0.00 O ATOM 0 H ASP B 12 11.383 -12.350 -16.256 1.00 0.00 H new ATOM 0 HA ASP B 12 9.792 -11.828 -14.609 1.00 0.00 H new ATOM 0 HB2 ASP B 12 8.598 -14.220 -16.132 1.00 0.00 H new ATOM 0 HB3 ASP B 12 7.658 -13.060 -15.215 1.00 0.00 H new ATOM 1175 N ILE B 13 9.137 -14.842 -13.690 1.00 0.00 N ATOM 1176 CA ILE B 13 9.124 -15.718 -12.483 1.00 0.00 C ATOM 1177 C ILE B 13 10.552 -15.957 -11.983 1.00 0.00 C ATOM 1178 O ILE B 13 11.513 -15.525 -12.590 1.00 0.00 O ATOM 1179 CB ILE B 13 8.489 -17.027 -12.951 1.00 0.00 C ATOM 1180 CG1 ILE B 13 9.172 -17.493 -14.239 1.00 0.00 C ATOM 1181 CG2 ILE B 13 7.001 -16.803 -13.220 1.00 0.00 C ATOM 1182 CD1 ILE B 13 8.800 -18.950 -14.516 1.00 0.00 C ATOM 0 H ILE B 13 8.590 -15.183 -14.480 1.00 0.00 H new ATOM 0 HA ILE B 13 8.573 -15.272 -11.655 1.00 0.00 H new ATOM 0 HB ILE B 13 8.610 -17.786 -12.178 1.00 0.00 H new ATOM 0 HG12 ILE B 13 8.865 -16.863 -15.074 1.00 0.00 H new ATOM 0 HG13 ILE B 13 10.254 -17.394 -14.146 1.00 0.00 H new ATOM 0 HG21 ILE B 13 6.547 -17.736 -13.554 1.00 0.00 H new ATOM 0 HG22 ILE B 13 6.512 -16.469 -12.305 1.00 0.00 H new ATOM 0 HG23 ILE B 13 6.881 -16.044 -13.993 1.00 0.00 H new ATOM 0 HD11 ILE B 13 9.286 -19.282 -15.433 1.00 0.00 H new ATOM 0 HD12 ILE B 13 9.129 -19.574 -13.685 1.00 0.00 H new ATOM 0 HD13 ILE B 13 7.719 -19.035 -14.628 1.00 0.00 H new ATOM 1194 N LYS B 14 10.701 -16.641 -10.881 1.00 0.00 N ATOM 1195 CA LYS B 14 12.068 -16.908 -10.342 1.00 0.00 C ATOM 1196 C LYS B 14 12.727 -15.599 -9.895 1.00 0.00 C ATOM 1197 O LYS B 14 12.059 -14.638 -9.571 1.00 0.00 O ATOM 1198 CB LYS B 14 12.837 -17.527 -11.510 1.00 0.00 C ATOM 1199 CG LYS B 14 13.605 -18.758 -11.023 1.00 0.00 C ATOM 1200 CD LYS B 14 12.735 -20.003 -11.197 1.00 0.00 C ATOM 1201 CE LYS B 14 13.607 -21.256 -11.094 1.00 0.00 C ATOM 1202 NZ LYS B 14 13.631 -21.591 -9.643 1.00 0.00 N ATOM 0 H LYS B 14 9.935 -17.027 -10.329 1.00 0.00 H new ATOM 0 HA LYS B 14 12.050 -17.564 -9.472 1.00 0.00 H new ATOM 0 HB2 LYS B 14 12.147 -17.808 -12.305 1.00 0.00 H new ATOM 0 HB3 LYS B 14 13.529 -16.797 -11.931 1.00 0.00 H new ATOM 0 HG2 LYS B 14 14.532 -18.868 -11.586 1.00 0.00 H new ATOM 0 HG3 LYS B 14 13.880 -18.637 -9.975 1.00 0.00 H new ATOM 0 HD2 LYS B 14 11.957 -20.025 -10.434 1.00 0.00 H new ATOM 0 HD3 LYS B 14 12.232 -19.976 -12.164 1.00 0.00 H new ATOM 0 HE2 LYS B 14 13.192 -22.075 -11.681 1.00 0.00 H new ATOM 0 HE3 LYS B 14 14.612 -21.070 -11.473 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 14.211 -22.441 -9.493 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 14.037 -20.796 -9.110 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 12.661 -21.770 -9.312 1.00 0.00 H new ATOM 1216 N THR B 15 14.033 -15.558 -9.876 1.00 0.00 N ATOM 1217 CA THR B 15 14.741 -14.315 -9.449 1.00 0.00 C ATOM 1218 C THR B 15 14.034 -13.073 -10.009 1.00 0.00 C ATOM 1219 O THR B 15 14.079 -12.810 -11.194 1.00 0.00 O ATOM 1220 CB THR B 15 16.145 -14.445 -10.031 1.00 0.00 C ATOM 1221 OG1 THR B 15 16.062 -14.904 -11.373 1.00 0.00 O ATOM 1222 CG2 THR B 15 16.950 -15.439 -9.194 1.00 0.00 C ATOM 0 H THR B 15 14.642 -16.333 -10.138 1.00 0.00 H new ATOM 0 HA THR B 15 14.756 -14.201 -8.365 1.00 0.00 H new ATOM 0 HB THR B 15 16.640 -13.474 -10.014 1.00 0.00 H new ATOM 0 HG1 THR B 15 15.310 -14.465 -11.823 1.00 0.00 H new ATOM 0 HG21 THR B 15 17.954 -15.534 -9.608 1.00 0.00 H new ATOM 0 HG22 THR B 15 17.013 -15.082 -8.166 1.00 0.00 H new ATOM 0 HG23 THR B 15 16.457 -16.411 -9.210 1.00 0.00 H new ATOM 1230 N SER B 16 13.375 -12.314 -9.165 1.00 0.00 N ATOM 1231 CA SER B 16 12.663 -11.091 -9.653 1.00 0.00 C ATOM 1232 C SER B 16 13.700 -10.108 -10.285 1.00 0.00 C ATOM 1233 O SER B 16 14.374 -10.537 -11.199 1.00 0.00 O ATOM 1234 CB SER B 16 11.909 -10.576 -8.426 1.00 0.00 C ATOM 1235 OG SER B 16 11.053 -11.604 -7.947 1.00 0.00 O ATOM 0 H SER B 16 13.300 -12.488 -8.163 1.00 0.00 H new ATOM 0 HA SER B 16 11.945 -11.256 -10.457 1.00 0.00 H new ATOM 0 HB2 SER B 16 12.613 -10.279 -7.649 1.00 0.00 H new ATOM 0 HB3 SER B 16 11.327 -9.691 -8.685 1.00 0.00 H new ATOM 0 HG SER B 16 10.566 -11.284 -7.159 1.00 0.00 H new ATOM 1241 N PRO B 17 13.867 -8.838 -9.875 1.00 0.00 N ATOM 1242 CA PRO B 17 13.179 -8.093 -8.802 1.00 0.00 C ATOM 1243 C PRO B 17 12.291 -7.009 -9.405 1.00 0.00 C ATOM 1244 O PRO B 17 12.262 -5.904 -8.901 1.00 0.00 O ATOM 1245 CB PRO B 17 14.353 -7.365 -8.156 1.00 0.00 C ATOM 1246 CG PRO B 17 15.386 -7.248 -9.233 1.00 0.00 C ATOM 1247 CD PRO B 17 14.817 -7.919 -10.444 1.00 0.00 C ATOM 0 HA PRO B 17 12.573 -8.727 -8.154 1.00 0.00 H new ATOM 0 HB2 PRO B 17 14.054 -6.383 -7.790 1.00 0.00 H new ATOM 0 HB3 PRO B 17 14.738 -7.920 -7.301 1.00 0.00 H new ATOM 0 HG2 PRO B 17 15.613 -6.202 -9.440 1.00 0.00 H new ATOM 0 HG3 PRO B 17 16.319 -7.723 -8.929 1.00 0.00 H new ATOM 0 HD2 PRO B 17 14.339 -7.206 -11.116 1.00 0.00 H new ATOM 0 HD3 PRO B 17 15.585 -8.435 -11.020 1.00 0.00 H new ATOM 1255 N PRO B 18 11.641 -7.310 -10.487 1.00 0.00 N ATOM 1256 CA PRO B 18 10.828 -6.279 -11.145 1.00 0.00 C ATOM 1257 C PRO B 18 9.737 -5.723 -10.209 1.00 0.00 C ATOM 1258 O PRO B 18 9.487 -4.535 -10.235 1.00 0.00 O ATOM 1259 CB PRO B 18 10.330 -6.973 -12.409 1.00 0.00 C ATOM 1260 CG PRO B 18 10.389 -8.429 -12.103 1.00 0.00 C ATOM 1261 CD PRO B 18 11.569 -8.598 -11.186 1.00 0.00 C ATOM 0 HA PRO B 18 11.375 -5.372 -11.403 1.00 0.00 H new ATOM 0 HB2 PRO B 18 9.314 -6.663 -12.654 1.00 0.00 H new ATOM 0 HB3 PRO B 18 10.955 -6.725 -13.267 1.00 0.00 H new ATOM 0 HG2 PRO B 18 9.469 -8.768 -11.626 1.00 0.00 H new ATOM 0 HG3 PRO B 18 10.511 -9.017 -13.013 1.00 0.00 H new ATOM 0 HD2 PRO B 18 11.423 -9.425 -10.491 1.00 0.00 H new ATOM 0 HD3 PRO B 18 12.484 -8.806 -11.741 1.00 0.00 H new ATOM 1269 N PRO B 19 9.167 -6.543 -9.351 1.00 0.00 N ATOM 1270 CA PRO B 19 8.188 -6.001 -8.380 1.00 0.00 C ATOM 1271 C PRO B 19 8.983 -5.201 -7.342 1.00 0.00 C ATOM 1272 O PRO B 19 9.267 -5.674 -6.263 1.00 0.00 O ATOM 1273 CB PRO B 19 7.556 -7.243 -7.759 1.00 0.00 C ATOM 1274 CG PRO B 19 8.581 -8.314 -7.932 1.00 0.00 C ATOM 1275 CD PRO B 19 9.344 -7.994 -9.190 1.00 0.00 C ATOM 0 HA PRO B 19 7.427 -5.347 -8.806 1.00 0.00 H new ATOM 0 HB2 PRO B 19 7.322 -7.084 -6.706 1.00 0.00 H new ATOM 0 HB3 PRO B 19 6.622 -7.504 -8.257 1.00 0.00 H new ATOM 0 HG2 PRO B 19 9.251 -8.349 -7.073 1.00 0.00 H new ATOM 0 HG3 PRO B 19 8.107 -9.293 -8.007 1.00 0.00 H new ATOM 0 HD2 PRO B 19 10.397 -8.260 -9.097 1.00 0.00 H new ATOM 0 HD3 PRO B 19 8.951 -8.542 -10.046 1.00 0.00 H new ATOM 1283 N GLU B 20 9.398 -4.015 -7.707 1.00 0.00 N ATOM 1284 CA GLU B 20 10.244 -3.167 -6.802 1.00 0.00 C ATOM 1285 C GLU B 20 9.606 -2.889 -5.437 1.00 0.00 C ATOM 1286 O GLU B 20 9.523 -1.753 -5.019 1.00 0.00 O ATOM 1287 CB GLU B 20 10.430 -1.847 -7.553 1.00 0.00 C ATOM 1288 CG GLU B 20 9.107 -1.417 -8.193 1.00 0.00 C ATOM 1289 CD GLU B 20 9.257 -1.389 -9.715 1.00 0.00 C ATOM 1290 OE1 GLU B 20 10.314 -0.992 -10.178 1.00 0.00 O ATOM 1291 OE2 GLU B 20 8.315 -1.766 -10.391 1.00 0.00 O ATOM 0 H GLU B 20 9.185 -3.588 -8.608 1.00 0.00 H new ATOM 0 HA GLU B 20 11.176 -3.687 -6.582 1.00 0.00 H new ATOM 0 HB2 GLU B 20 10.779 -1.075 -6.867 1.00 0.00 H new ATOM 0 HB3 GLU B 20 11.195 -1.961 -8.321 1.00 0.00 H new ATOM 0 HG2 GLU B 20 8.313 -2.107 -7.909 1.00 0.00 H new ATOM 0 HG3 GLU B 20 8.818 -0.431 -7.828 1.00 0.00 H new ATOM 1298 N CYS B 21 9.200 -3.886 -4.707 1.00 0.00 N ATOM 1299 CA CYS B 21 8.640 -3.584 -3.351 1.00 0.00 C ATOM 1300 C CYS B 21 9.795 -3.382 -2.365 1.00 0.00 C ATOM 1301 O CYS B 21 9.697 -2.604 -1.438 1.00 0.00 O ATOM 1302 CB CYS B 21 7.702 -4.721 -2.887 1.00 0.00 C ATOM 1303 SG CYS B 21 7.847 -6.218 -3.903 1.00 0.00 S ATOM 0 H CYS B 21 9.227 -4.870 -4.973 1.00 0.00 H new ATOM 0 HA CYS B 21 8.049 -2.669 -3.395 1.00 0.00 H new ATOM 0 HB2 CYS B 21 7.926 -4.969 -1.850 1.00 0.00 H new ATOM 0 HB3 CYS B 21 6.671 -4.368 -2.914 1.00 0.00 H new ATOM 0 HG CYS B 21 8.024 -5.883 -5.146 1.00 0.00 H new ATOM 1309 N ILE B 22 10.898 -4.061 -2.567 1.00 0.00 N ATOM 1310 CA ILE B 22 12.064 -3.883 -1.645 1.00 0.00 C ATOM 1311 C ILE B 22 12.823 -2.623 -2.011 1.00 0.00 C ATOM 1312 O ILE B 22 13.050 -1.758 -1.199 1.00 0.00 O ATOM 1313 CB ILE B 22 12.998 -5.072 -1.876 1.00 0.00 C ATOM 1314 CG1 ILE B 22 12.308 -6.424 -1.649 1.00 0.00 C ATOM 1315 CG2 ILE B 22 14.181 -4.959 -0.923 1.00 0.00 C ATOM 1316 CD1 ILE B 22 10.891 -6.257 -1.081 1.00 0.00 C ATOM 0 H ILE B 22 11.041 -4.727 -3.326 1.00 0.00 H new ATOM 0 HA ILE B 22 11.723 -3.816 -0.612 1.00 0.00 H new ATOM 0 HB ILE B 22 13.318 -5.039 -2.918 1.00 0.00 H new ATOM 0 HG12 ILE B 22 12.259 -6.969 -2.592 1.00 0.00 H new ATOM 0 HG13 ILE B 22 12.905 -7.025 -0.964 1.00 0.00 H new ATOM 0 HG21 ILE B 22 14.855 -5.802 -1.078 1.00 0.00 H new ATOM 0 HG22 ILE B 22 14.714 -4.028 -1.114 1.00 0.00 H new ATOM 0 HG23 ILE B 22 13.821 -4.967 0.106 1.00 0.00 H new ATOM 0 HD11 ILE B 22 10.439 -7.238 -0.936 1.00 0.00 H new ATOM 0 HD12 ILE B 22 10.941 -5.736 -0.125 1.00 0.00 H new ATOM 0 HD13 ILE B 22 10.285 -5.678 -1.778 1.00 0.00 H new ATOM 1328 N ASN B 23 13.250 -2.524 -3.229 1.00 0.00 N ATOM 1329 CA ASN B 23 14.016 -1.313 -3.619 1.00 0.00 C ATOM 1330 C ASN B 23 13.136 -0.077 -3.462 1.00 0.00 C ATOM 1331 O ASN B 23 13.520 0.881 -2.829 1.00 0.00 O ATOM 1332 CB ASN B 23 14.432 -1.514 -5.073 1.00 0.00 C ATOM 1333 CG ASN B 23 13.209 -1.460 -5.979 1.00 0.00 C ATOM 1334 OD1 ASN B 23 12.158 -1.953 -5.623 1.00 0.00 O ATOM 1335 ND2 ASN B 23 13.301 -0.876 -7.144 1.00 0.00 N ATOM 0 H ASN B 23 13.107 -3.216 -3.965 1.00 0.00 H new ATOM 0 HA ASN B 23 14.894 -1.166 -2.990 1.00 0.00 H new ATOM 0 HB2 ASN B 23 15.145 -0.743 -5.365 1.00 0.00 H new ATOM 0 HB3 ASN B 23 14.936 -2.474 -5.186 1.00 0.00 H new ATOM 0 HD21 ASN B 23 12.488 -0.833 -7.758 1.00 0.00 H new ATOM 0 HD22 ASN B 23 14.186 -0.463 -7.439 1.00 0.00 H new ATOM 1342 N ASP B 24 11.937 -0.098 -3.979 1.00 0.00 N ATOM 1343 CA ASP B 24 11.060 1.084 -3.799 1.00 0.00 C ATOM 1344 C ASP B 24 10.873 1.280 -2.310 1.00 0.00 C ATOM 1345 O ASP B 24 10.555 2.351 -1.836 1.00 0.00 O ATOM 1346 CB ASP B 24 9.740 0.721 -4.472 1.00 0.00 C ATOM 1347 CG ASP B 24 8.872 1.974 -4.606 1.00 0.00 C ATOM 1348 OD1 ASP B 24 9.426 3.032 -4.854 1.00 0.00 O ATOM 1349 OD2 ASP B 24 7.666 1.854 -4.459 1.00 0.00 O ATOM 0 H ASP B 24 11.535 -0.871 -4.509 1.00 0.00 H new ATOM 0 HA ASP B 24 11.463 2.002 -4.226 1.00 0.00 H new ATOM 0 HB2 ASP B 24 9.928 0.289 -5.455 1.00 0.00 H new ATOM 0 HB3 ASP B 24 9.217 -0.035 -3.886 1.00 0.00 H new ATOM 1354 N LEU B 25 11.106 0.236 -1.566 1.00 0.00 N ATOM 1355 CA LEU B 25 10.983 0.328 -0.106 1.00 0.00 C ATOM 1356 C LEU B 25 12.267 0.869 0.457 1.00 0.00 C ATOM 1357 O LEU B 25 12.322 1.874 1.138 1.00 0.00 O ATOM 1358 CB LEU B 25 10.809 -1.118 0.382 1.00 0.00 C ATOM 1359 CG LEU B 25 11.478 -1.324 1.769 1.00 0.00 C ATOM 1360 CD1 LEU B 25 10.434 -1.347 2.869 1.00 0.00 C ATOM 1361 CD2 LEU B 25 12.255 -2.634 1.772 1.00 0.00 C ATOM 0 H LEU B 25 11.378 -0.681 -1.921 1.00 0.00 H new ATOM 0 HA LEU B 25 10.158 0.972 0.196 1.00 0.00 H new ATOM 0 HB2 LEU B 25 9.748 -1.358 0.447 1.00 0.00 H new ATOM 0 HB3 LEU B 25 11.247 -1.805 -0.342 1.00 0.00 H new ATOM 0 HG LEU B 25 12.159 -0.493 1.954 1.00 0.00 H new ATOM 0 HD11 LEU B 25 10.923 -1.492 3.832 1.00 0.00 H new ATOM 0 HD12 LEU B 25 9.892 -0.401 2.876 1.00 0.00 H new ATOM 0 HD13 LEU B 25 9.735 -2.164 2.690 1.00 0.00 H new ATOM 0 HD21 LEU B 25 12.724 -2.777 2.746 1.00 0.00 H new ATOM 0 HD22 LEU B 25 11.574 -3.461 1.572 1.00 0.00 H new ATOM 0 HD23 LEU B 25 13.024 -2.603 1.000 1.00 0.00 H new ATOM 1373 N LEU B 26 13.288 0.117 0.227 1.00 0.00 N ATOM 1374 CA LEU B 26 14.588 0.433 0.774 1.00 0.00 C ATOM 1375 C LEU B 26 15.212 1.602 0.034 1.00 0.00 C ATOM 1376 O LEU B 26 16.267 2.091 0.390 1.00 0.00 O ATOM 1377 CB LEU B 26 15.360 -0.854 0.578 1.00 0.00 C ATOM 1378 CG LEU B 26 16.821 -0.578 0.750 1.00 0.00 C ATOM 1379 CD1 LEU B 26 17.061 -0.175 2.192 1.00 0.00 C ATOM 1380 CD2 LEU B 26 17.624 -1.837 0.425 1.00 0.00 C ATOM 0 H LEU B 26 13.260 -0.731 -0.339 1.00 0.00 H new ATOM 0 HA LEU B 26 14.565 0.746 1.818 1.00 0.00 H new ATOM 0 HB2 LEU B 26 15.031 -1.603 1.298 1.00 0.00 H new ATOM 0 HB3 LEU B 26 15.168 -1.260 -0.415 1.00 0.00 H new ATOM 0 HG LEU B 26 17.136 0.221 0.079 1.00 0.00 H new ATOM 0 HD11 LEU B 26 18.121 0.031 2.341 1.00 0.00 H new ATOM 0 HD12 LEU B 26 16.482 0.719 2.421 1.00 0.00 H new ATOM 0 HD13 LEU B 26 16.753 -0.986 2.852 1.00 0.00 H new ATOM 0 HD21 LEU B 26 18.687 -1.633 0.551 1.00 0.00 H new ATOM 0 HD22 LEU B 26 17.327 -2.642 1.097 1.00 0.00 H new ATOM 0 HD23 LEU B 26 17.432 -2.135 -0.606 1.00 0.00 H new ATOM 1392 N GLN B 27 14.539 2.096 -0.959 1.00 0.00 N ATOM 1393 CA GLN B 27 15.060 3.264 -1.676 1.00 0.00 C ATOM 1394 C GLN B 27 14.987 4.450 -0.725 1.00 0.00 C ATOM 1395 O GLN B 27 15.465 5.529 -1.013 1.00 0.00 O ATOM 1396 CB GLN B 27 14.100 3.453 -2.833 1.00 0.00 C ATOM 1397 CG GLN B 27 14.648 2.725 -4.062 1.00 0.00 C ATOM 1398 CD GLN B 27 15.125 3.732 -5.107 1.00 0.00 C ATOM 1399 OE1 GLN B 27 14.498 4.864 -5.230 1.00 0.00 O flip ATOM 1400 NE2 GLN B 27 16.081 3.486 -5.816 1.00 0.00 N flip ATOM 0 H GLN B 27 13.648 1.734 -1.300 1.00 0.00 H new ATOM 0 HA GLN B 27 16.088 3.158 -2.023 1.00 0.00 H new ATOM 0 HB2 GLN B 27 13.116 3.063 -2.573 1.00 0.00 H new ATOM 0 HB3 GLN B 27 13.976 4.514 -3.049 1.00 0.00 H new ATOM 0 HG2 GLN B 27 15.473 2.075 -3.770 1.00 0.00 H new ATOM 0 HG3 GLN B 27 13.875 2.086 -4.489 1.00 0.00 H new ATOM 0 HE21 GLN B 27 16.573 2.598 -5.719 1.00 0.00 H new ATOM 0 HE22 GLN B 27 16.392 4.168 -6.508 1.00 0.00 H new ATOM 1409 N ALA B 28 14.354 4.257 0.414 1.00 0.00 N ATOM 1410 CA ALA B 28 14.214 5.368 1.373 1.00 0.00 C ATOM 1411 C ALA B 28 14.708 5.008 2.786 1.00 0.00 C ATOM 1412 O ALA B 28 14.910 5.896 3.590 1.00 0.00 O ATOM 1413 CB ALA B 28 12.717 5.662 1.399 1.00 0.00 C ATOM 0 H ALA B 28 13.935 3.374 0.706 1.00 0.00 H new ATOM 0 HA ALA B 28 14.821 6.221 1.068 1.00 0.00 H new ATOM 0 HB1 ALA B 28 12.519 6.481 2.091 1.00 0.00 H new ATOM 0 HB2 ALA B 28 12.384 5.943 0.400 1.00 0.00 H new ATOM 0 HB3 ALA B 28 12.177 4.773 1.725 1.00 0.00 H new ATOM 1419 N VAL B 29 14.908 3.751 3.146 1.00 0.00 N ATOM 1420 CA VAL B 29 15.378 3.515 4.538 1.00 0.00 C ATOM 1421 C VAL B 29 16.856 3.180 4.546 1.00 0.00 C ATOM 1422 O VAL B 29 17.408 2.830 5.568 1.00 0.00 O ATOM 1423 CB VAL B 29 14.501 2.385 5.118 1.00 0.00 C ATOM 1424 CG1 VAL B 29 14.103 1.395 4.024 1.00 0.00 C ATOM 1425 CG2 VAL B 29 15.260 1.640 6.221 1.00 0.00 C ATOM 0 H VAL B 29 14.772 2.925 2.563 1.00 0.00 H new ATOM 0 HA VAL B 29 15.276 4.405 5.159 1.00 0.00 H new ATOM 0 HB VAL B 29 13.600 2.836 5.535 1.00 0.00 H new ATOM 0 HG11 VAL B 29 13.485 0.607 4.454 1.00 0.00 H new ATOM 0 HG12 VAL B 29 13.540 1.916 3.250 1.00 0.00 H new ATOM 0 HG13 VAL B 29 15.000 0.956 3.587 1.00 0.00 H new ATOM 0 HG21 VAL B 29 14.631 0.845 6.622 1.00 0.00 H new ATOM 0 HG22 VAL B 29 16.171 1.208 5.807 1.00 0.00 H new ATOM 0 HG23 VAL B 29 15.518 2.336 7.019 1.00 0.00 H new ATOM 1435 N ASP B 30 17.518 3.332 3.434 1.00 0.00 N ATOM 1436 CA ASP B 30 18.974 3.058 3.420 1.00 0.00 C ATOM 1437 C ASP B 30 19.237 1.757 4.137 1.00 0.00 C ATOM 1438 O ASP B 30 19.356 1.724 5.347 1.00 0.00 O ATOM 1439 CB ASP B 30 19.564 4.204 4.220 1.00 0.00 C ATOM 1440 CG ASP B 30 19.985 5.335 3.281 1.00 0.00 C ATOM 1441 OD1 ASP B 30 19.602 5.292 2.123 1.00 0.00 O ATOM 1442 OD2 ASP B 30 20.684 6.226 3.735 1.00 0.00 O ATOM 0 H ASP B 30 17.116 3.631 2.545 1.00 0.00 H new ATOM 0 HA ASP B 30 19.390 2.981 2.416 1.00 0.00 H new ATOM 0 HB2 ASP B 30 18.832 4.571 4.939 1.00 0.00 H new ATOM 0 HB3 ASP B 30 20.424 3.855 4.791 1.00 0.00 H new ATOM 1447 N SER B 31 19.285 0.670 3.449 1.00 0.00 N ATOM 1448 CA SER B 31 19.470 -0.574 4.193 1.00 0.00 C ATOM 1449 C SER B 31 19.840 -1.707 3.240 1.00 0.00 C ATOM 1450 O SER B 31 19.096 -2.645 3.044 1.00 0.00 O ATOM 1451 CB SER B 31 18.081 -0.722 4.816 1.00 0.00 C ATOM 1452 OG SER B 31 18.206 -1.131 6.163 1.00 0.00 O ATOM 0 H SER B 31 19.207 0.591 2.435 1.00 0.00 H new ATOM 0 HA SER B 31 20.273 -0.586 4.930 1.00 0.00 H new ATOM 0 HB2 SER B 31 17.544 0.225 4.761 1.00 0.00 H new ATOM 0 HB3 SER B 31 17.496 -1.452 4.257 1.00 0.00 H new ATOM 0 HG SER B 31 18.658 -0.430 6.677 1.00 0.00 H new ATOM 1458 N GLN B 32 20.998 -1.611 2.642 1.00 0.00 N ATOM 1459 CA GLN B 32 21.432 -2.663 1.689 1.00 0.00 C ATOM 1460 C GLN B 32 21.213 -4.040 2.300 1.00 0.00 C ATOM 1461 O GLN B 32 21.090 -5.015 1.603 1.00 0.00 O ATOM 1462 CB GLN B 32 22.920 -2.405 1.457 1.00 0.00 C ATOM 1463 CG GLN B 32 23.280 -2.811 0.028 1.00 0.00 C ATOM 1464 CD GLN B 32 24.145 -1.727 -0.607 1.00 0.00 C ATOM 1465 OE1 GLN B 32 25.191 -1.385 -0.092 1.00 0.00 O ATOM 1466 NE2 GLN B 32 23.749 -1.168 -1.714 1.00 0.00 N ATOM 0 H GLN B 32 21.660 -0.847 2.775 1.00 0.00 H new ATOM 0 HA GLN B 32 20.869 -2.635 0.756 1.00 0.00 H new ATOM 0 HB2 GLN B 32 23.149 -1.351 1.618 1.00 0.00 H new ATOM 0 HB3 GLN B 32 23.516 -2.973 2.171 1.00 0.00 H new ATOM 0 HG2 GLN B 32 23.814 -3.761 0.032 1.00 0.00 H new ATOM 0 HG3 GLN B 32 22.373 -2.958 -0.559 1.00 0.00 H new ATOM 0 HE21 GLN B 32 22.871 -1.456 -2.145 1.00 0.00 H new ATOM 0 HE22 GLN B 32 24.317 -0.442 -2.150 1.00 0.00 H new ATOM 1475 N GLU B 33 21.134 -4.137 3.591 1.00 0.00 N ATOM 1476 CA GLU B 33 20.889 -5.471 4.192 1.00 0.00 C ATOM 1477 C GLU B 33 19.534 -5.981 3.710 1.00 0.00 C ATOM 1478 O GLU B 33 19.315 -7.167 3.568 1.00 0.00 O ATOM 1479 CB GLU B 33 20.876 -5.240 5.697 1.00 0.00 C ATOM 1480 CG GLU B 33 22.235 -4.701 6.147 1.00 0.00 C ATOM 1481 CD GLU B 33 22.923 -5.734 7.041 1.00 0.00 C ATOM 1482 OE1 GLU B 33 22.244 -6.316 7.872 1.00 0.00 O ATOM 1483 OE2 GLU B 33 24.117 -5.926 6.881 1.00 0.00 O ATOM 0 H GLU B 33 21.227 -3.363 4.249 1.00 0.00 H new ATOM 0 HA GLU B 33 21.642 -6.209 3.917 1.00 0.00 H new ATOM 0 HB2 GLU B 33 20.089 -4.533 5.960 1.00 0.00 H new ATOM 0 HB3 GLU B 33 20.654 -6.172 6.216 1.00 0.00 H new ATOM 0 HG2 GLU B 33 22.857 -4.484 5.279 1.00 0.00 H new ATOM 0 HG3 GLU B 33 22.105 -3.764 6.689 1.00 0.00 H new ATOM 1490 N VAL B 34 18.627 -5.081 3.436 1.00 0.00 N ATOM 1491 CA VAL B 34 17.291 -5.500 2.939 1.00 0.00 C ATOM 1492 C VAL B 34 17.404 -5.836 1.447 1.00 0.00 C ATOM 1493 O VAL B 34 16.849 -6.809 0.979 1.00 0.00 O ATOM 1494 CB VAL B 34 16.363 -4.294 3.222 1.00 0.00 C ATOM 1495 CG1 VAL B 34 15.573 -3.901 1.975 1.00 0.00 C ATOM 1496 CG2 VAL B 34 15.371 -4.676 4.322 1.00 0.00 C ATOM 0 H VAL B 34 18.757 -4.074 3.536 1.00 0.00 H new ATOM 0 HA VAL B 34 16.895 -6.393 3.422 1.00 0.00 H new ATOM 0 HB VAL B 34 16.982 -3.451 3.528 1.00 0.00 H new ATOM 0 HG11 VAL B 34 14.930 -3.051 2.204 1.00 0.00 H new ATOM 0 HG12 VAL B 34 16.264 -3.628 1.177 1.00 0.00 H new ATOM 0 HG13 VAL B 34 14.960 -4.743 1.652 1.00 0.00 H new ATOM 0 HG21 VAL B 34 14.713 -3.832 4.528 1.00 0.00 H new ATOM 0 HG22 VAL B 34 14.776 -5.529 3.995 1.00 0.00 H new ATOM 0 HG23 VAL B 34 15.916 -4.940 5.228 1.00 0.00 H new ATOM 1506 N ARG B 35 18.153 -5.068 0.707 1.00 0.00 N ATOM 1507 CA ARG B 35 18.333 -5.378 -0.732 1.00 0.00 C ATOM 1508 C ARG B 35 19.342 -6.517 -0.846 1.00 0.00 C ATOM 1509 O ARG B 35 19.133 -7.487 -1.546 1.00 0.00 O ATOM 1510 CB ARG B 35 18.903 -4.110 -1.325 1.00 0.00 C ATOM 1511 CG ARG B 35 17.928 -3.516 -2.338 1.00 0.00 C ATOM 1512 CD ARG B 35 18.727 -2.958 -3.506 1.00 0.00 C ATOM 1513 NE ARG B 35 17.714 -2.555 -4.519 1.00 0.00 N ATOM 1514 CZ ARG B 35 17.562 -1.295 -4.823 1.00 0.00 C ATOM 1515 NH1 ARG B 35 17.459 -0.405 -3.876 1.00 0.00 N ATOM 1516 NH2 ARG B 35 17.518 -0.925 -6.074 1.00 0.00 N ATOM 0 H ARG B 35 18.647 -4.240 1.039 1.00 0.00 H new ATOM 0 HA ARG B 35 17.415 -5.680 -1.236 1.00 0.00 H new ATOM 0 HB2 ARG B 35 19.101 -3.387 -0.534 1.00 0.00 H new ATOM 0 HB3 ARG B 35 19.856 -4.323 -1.809 1.00 0.00 H new ATOM 0 HG2 ARG B 35 17.231 -4.279 -2.686 1.00 0.00 H new ATOM 0 HG3 ARG B 35 17.333 -2.728 -1.875 1.00 0.00 H new ATOM 0 HD2 ARG B 35 19.334 -2.107 -3.196 1.00 0.00 H new ATOM 0 HD3 ARG B 35 19.410 -3.706 -3.909 1.00 0.00 H new ATOM 0 HE ARG B 35 17.139 -3.263 -4.975 1.00 0.00 H new ATOM 0 HH11 ARG B 35 17.497 -0.694 -2.898 1.00 0.00 H new ATOM 0 HH12 ARG B 35 17.340 0.580 -4.113 1.00 0.00 H new ATOM 0 HH21 ARG B 35 17.602 -1.621 -6.815 1.00 0.00 H new ATOM 0 HH22 ARG B 35 17.399 0.060 -6.311 1.00 0.00 H new ATOM 1530 N ASP B 36 20.420 -6.420 -0.112 1.00 0.00 N ATOM 1531 CA ASP B 36 21.423 -7.512 -0.121 1.00 0.00 C ATOM 1532 C ASP B 36 20.674 -8.777 0.243 1.00 0.00 C ATOM 1533 O ASP B 36 21.000 -9.874 -0.163 1.00 0.00 O ATOM 1534 CB ASP B 36 22.437 -7.152 0.970 1.00 0.00 C ATOM 1535 CG ASP B 36 23.695 -8.008 0.802 1.00 0.00 C ATOM 1536 OD1 ASP B 36 24.447 -7.746 -0.121 1.00 0.00 O ATOM 1537 OD2 ASP B 36 23.883 -8.911 1.601 1.00 0.00 O ATOM 0 H ASP B 36 20.644 -5.629 0.492 1.00 0.00 H new ATOM 0 HA ASP B 36 21.930 -7.648 -1.076 1.00 0.00 H new ATOM 0 HB2 ASP B 36 22.693 -6.094 0.908 1.00 0.00 H new ATOM 0 HB3 ASP B 36 22.001 -7.317 1.955 1.00 0.00 H new ATOM 1542 N TYR B 37 19.624 -8.585 0.985 1.00 0.00 N ATOM 1543 CA TYR B 37 18.755 -9.687 1.388 1.00 0.00 C ATOM 1544 C TYR B 37 17.852 -10.004 0.202 1.00 0.00 C ATOM 1545 O TYR B 37 17.769 -11.119 -0.262 1.00 0.00 O ATOM 1546 CB TYR B 37 17.963 -9.109 2.559 1.00 0.00 C ATOM 1547 CG TYR B 37 16.648 -9.816 2.643 1.00 0.00 C ATOM 1548 CD1 TYR B 37 15.619 -9.427 1.790 1.00 0.00 C ATOM 1549 CD2 TYR B 37 16.482 -10.895 3.512 1.00 0.00 C ATOM 1550 CE1 TYR B 37 14.418 -10.114 1.793 1.00 0.00 C ATOM 1551 CE2 TYR B 37 15.267 -11.583 3.532 1.00 0.00 C ATOM 1552 CZ TYR B 37 14.236 -11.198 2.670 1.00 0.00 C ATOM 1553 OH TYR B 37 13.047 -11.899 2.675 1.00 0.00 O ATOM 0 H TYR B 37 19.334 -7.672 1.334 1.00 0.00 H new ATOM 0 HA TYR B 37 19.267 -10.606 1.674 1.00 0.00 H new ATOM 0 HB2 TYR B 37 18.519 -9.232 3.489 1.00 0.00 H new ATOM 0 HB3 TYR B 37 17.809 -8.039 2.420 1.00 0.00 H new ATOM 0 HD1 TYR B 37 15.758 -8.588 1.125 1.00 0.00 H new ATOM 0 HD2 TYR B 37 17.288 -11.196 4.165 1.00 0.00 H new ATOM 0 HE1 TYR B 37 13.623 -9.819 1.124 1.00 0.00 H new ATOM 0 HE2 TYR B 37 15.124 -12.410 4.212 1.00 0.00 H new ATOM 0 HH TYR B 37 12.581 -11.746 3.523 1.00 0.00 H new ATOM 1563 N CYS B 38 17.202 -9.002 -0.306 1.00 0.00 N ATOM 1564 CA CYS B 38 16.311 -9.188 -1.470 1.00 0.00 C ATOM 1565 C CYS B 38 17.058 -9.945 -2.570 1.00 0.00 C ATOM 1566 O CYS B 38 16.580 -10.930 -3.091 1.00 0.00 O ATOM 1567 CB CYS B 38 15.969 -7.762 -1.882 1.00 0.00 C ATOM 1568 SG CYS B 38 14.590 -7.756 -3.041 1.00 0.00 S ATOM 0 H CYS B 38 17.253 -8.046 0.045 1.00 0.00 H new ATOM 0 HA CYS B 38 15.416 -9.774 -1.262 1.00 0.00 H new ATOM 0 HB2 CYS B 38 15.714 -7.173 -1.001 1.00 0.00 H new ATOM 0 HB3 CYS B 38 16.839 -7.290 -2.339 1.00 0.00 H new ATOM 0 HG CYS B 38 14.224 -8.979 -3.287 1.00 0.00 H new ATOM 1574 N GLU B 39 18.243 -9.521 -2.901 1.00 0.00 N ATOM 1575 CA GLU B 39 19.019 -10.258 -3.927 1.00 0.00 C ATOM 1576 C GLU B 39 19.538 -11.544 -3.293 1.00 0.00 C ATOM 1577 O GLU B 39 20.005 -12.437 -3.971 1.00 0.00 O ATOM 1578 CB GLU B 39 20.175 -9.333 -4.296 1.00 0.00 C ATOM 1579 CG GLU B 39 20.895 -8.922 -3.014 1.00 0.00 C ATOM 1580 CD GLU B 39 22.338 -9.433 -3.046 1.00 0.00 C ATOM 1581 OE1 GLU B 39 22.517 -10.640 -3.088 1.00 0.00 O ATOM 1582 OE2 GLU B 39 23.237 -8.610 -3.027 1.00 0.00 O ATOM 0 H GLU B 39 18.704 -8.701 -2.507 1.00 0.00 H new ATOM 0 HA GLU B 39 18.434 -10.523 -4.808 1.00 0.00 H new ATOM 0 HB2 GLU B 39 20.864 -9.839 -4.972 1.00 0.00 H new ATOM 0 HB3 GLU B 39 19.803 -8.453 -4.820 1.00 0.00 H new ATOM 0 HG2 GLU B 39 20.886 -7.837 -2.912 1.00 0.00 H new ATOM 0 HG3 GLU B 39 20.374 -9.328 -2.147 1.00 0.00 H new ATOM 1589 N LYS B 40 19.407 -11.670 -1.994 1.00 0.00 N ATOM 1590 CA LYS B 40 19.835 -12.926 -1.345 1.00 0.00 C ATOM 1591 C LYS B 40 18.650 -13.849 -1.443 1.00 0.00 C ATOM 1592 O LYS B 40 18.757 -15.054 -1.559 1.00 0.00 O ATOM 1593 CB LYS B 40 20.113 -12.604 0.123 1.00 0.00 C ATOM 1594 CG LYS B 40 20.403 -13.908 0.870 1.00 0.00 C ATOM 1595 CD LYS B 40 20.976 -13.584 2.249 1.00 0.00 C ATOM 1596 CE LYS B 40 20.309 -14.474 3.301 1.00 0.00 C ATOM 1597 NZ LYS B 40 20.686 -13.872 4.610 1.00 0.00 N ATOM 0 H LYS B 40 19.025 -10.960 -1.370 1.00 0.00 H new ATOM 0 HA LYS B 40 20.722 -13.370 -1.797 1.00 0.00 H new ATOM 0 HB2 LYS B 40 20.962 -11.925 0.206 1.00 0.00 H new ATOM 0 HB3 LYS B 40 19.256 -12.098 0.567 1.00 0.00 H new ATOM 0 HG2 LYS B 40 19.489 -14.493 0.972 1.00 0.00 H new ATOM 0 HG3 LYS B 40 21.109 -14.515 0.304 1.00 0.00 H new ATOM 0 HD2 LYS B 40 22.054 -13.743 2.253 1.00 0.00 H new ATOM 0 HD3 LYS B 40 20.808 -12.534 2.487 1.00 0.00 H new ATOM 0 HE2 LYS B 40 19.227 -14.494 3.173 1.00 0.00 H new ATOM 0 HE3 LYS B 40 20.658 -15.504 3.225 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 20.265 -14.428 5.382 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 21.721 -13.873 4.707 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 20.335 -12.894 4.656 1.00 0.00 H new ATOM 1611 N LYS B 41 17.505 -13.240 -1.415 1.00 0.00 N ATOM 1612 CA LYS B 41 16.246 -13.977 -1.521 1.00 0.00 C ATOM 1613 C LYS B 41 16.129 -14.486 -2.928 1.00 0.00 C ATOM 1614 O LYS B 41 16.031 -15.665 -3.205 1.00 0.00 O ATOM 1615 CB LYS B 41 15.183 -12.920 -1.340 1.00 0.00 C ATOM 1616 CG LYS B 41 15.323 -12.148 -0.048 1.00 0.00 C ATOM 1617 CD LYS B 41 16.087 -12.954 0.987 1.00 0.00 C ATOM 1618 CE LYS B 41 15.134 -13.945 1.643 1.00 0.00 C ATOM 1619 NZ LYS B 41 16.010 -14.929 2.338 1.00 0.00 N ATOM 0 H LYS B 41 17.397 -12.230 -1.320 1.00 0.00 H new ATOM 0 HA LYS B 41 16.171 -14.801 -0.811 1.00 0.00 H new ATOM 0 HB2 LYS B 41 15.226 -12.224 -2.178 1.00 0.00 H new ATOM 0 HB3 LYS B 41 14.201 -13.393 -1.368 1.00 0.00 H new ATOM 0 HG2 LYS B 41 15.841 -11.207 -0.236 1.00 0.00 H new ATOM 0 HG3 LYS B 41 14.335 -11.896 0.338 1.00 0.00 H new ATOM 0 HD2 LYS B 41 16.916 -13.483 0.516 1.00 0.00 H new ATOM 0 HD3 LYS B 41 16.517 -12.292 1.738 1.00 0.00 H new ATOM 0 HE2 LYS B 41 14.469 -13.445 2.347 1.00 0.00 H new ATOM 0 HE3 LYS B 41 14.503 -14.435 0.901 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 15.422 -15.643 2.813 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 16.627 -15.396 1.643 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 16.594 -14.436 3.044 1.00 0.00 H new ATOM 1633 N GLY B 42 16.173 -13.548 -3.821 1.00 0.00 N ATOM 1634 CA GLY B 42 16.103 -13.870 -5.249 1.00 0.00 C ATOM 1635 C GLY B 42 15.218 -12.895 -6.026 1.00 0.00 C ATOM 1636 O GLY B 42 14.309 -13.281 -6.726 1.00 0.00 O ATOM 0 H GLY B 42 16.256 -12.554 -3.609 1.00 0.00 H new ATOM 0 HA2 GLY B 42 17.108 -13.858 -5.671 1.00 0.00 H new ATOM 0 HA3 GLY B 42 15.718 -14.882 -5.372 1.00 0.00 H new ATOM 1640 N TRP B 43 15.534 -11.639 -5.957 1.00 0.00 N ATOM 1641 CA TRP B 43 14.786 -10.632 -6.762 1.00 0.00 C ATOM 1642 C TRP B 43 15.843 -9.928 -7.508 1.00 0.00 C ATOM 1643 O TRP B 43 15.836 -9.759 -8.711 1.00 0.00 O ATOM 1644 CB TRP B 43 14.135 -9.560 -5.898 1.00 0.00 C ATOM 1645 CG TRP B 43 13.590 -10.066 -4.620 1.00 0.00 C ATOM 1646 CD1 TRP B 43 14.110 -11.065 -3.910 1.00 0.00 C ATOM 1647 CD2 TRP B 43 12.462 -9.567 -3.837 1.00 0.00 C ATOM 1648 NE1 TRP B 43 13.390 -11.231 -2.794 1.00 0.00 N ATOM 1649 CE2 TRP B 43 12.382 -10.342 -2.673 1.00 0.00 C ATOM 1650 CE3 TRP B 43 11.516 -8.543 -4.009 1.00 0.00 C ATOM 1651 CZ2 TRP B 43 11.434 -10.134 -1.699 1.00 0.00 C ATOM 1652 CZ3 TRP B 43 10.540 -8.318 -3.028 1.00 0.00 C ATOM 1653 CH2 TRP B 43 10.502 -9.109 -1.865 1.00 0.00 C ATOM 0 H TRP B 43 16.282 -11.260 -5.376 1.00 0.00 H new ATOM 0 HA TRP B 43 14.012 -11.127 -7.349 1.00 0.00 H new ATOM 0 HB2 TRP B 43 14.870 -8.783 -5.686 1.00 0.00 H new ATOM 0 HB3 TRP B 43 13.330 -9.091 -6.464 1.00 0.00 H new ATOM 0 HD1 TRP B 43 14.975 -11.648 -4.190 1.00 0.00 H new ATOM 0 HE1 TRP B 43 13.584 -11.957 -2.104 1.00 0.00 H new ATOM 0 HE3 TRP B 43 11.541 -7.929 -4.897 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 11.411 -10.756 -0.817 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 9.812 -7.532 -3.166 1.00 0.00 H new ATOM 0 HH2 TRP B 43 9.756 -8.924 -1.106 1.00 0.00 H new ATOM 1664 N ILE B 44 16.797 -9.571 -6.718 1.00 0.00 N ATOM 1665 CA ILE B 44 18.014 -8.898 -7.169 1.00 0.00 C ATOM 1666 C ILE B 44 17.808 -7.406 -7.288 1.00 0.00 C ATOM 1667 O ILE B 44 18.588 -6.700 -7.897 1.00 0.00 O ATOM 1668 CB ILE B 44 18.367 -9.477 -8.514 1.00 0.00 C ATOM 1669 CG1 ILE B 44 18.178 -10.989 -8.499 1.00 0.00 C ATOM 1670 CG2 ILE B 44 19.830 -9.144 -8.795 1.00 0.00 C ATOM 1671 CD1 ILE B 44 17.605 -11.432 -9.842 1.00 0.00 C ATOM 0 H ILE B 44 16.773 -9.733 -5.711 1.00 0.00 H new ATOM 0 HA ILE B 44 18.815 -9.054 -6.446 1.00 0.00 H new ATOM 0 HB ILE B 44 17.722 -9.058 -9.286 1.00 0.00 H new ATOM 0 HG12 ILE B 44 19.131 -11.486 -8.314 1.00 0.00 H new ATOM 0 HG13 ILE B 44 17.506 -11.276 -7.690 1.00 0.00 H new ATOM 0 HG21 ILE B 44 20.116 -9.551 -9.765 1.00 0.00 H new ATOM 0 HG22 ILE B 44 19.962 -8.062 -8.803 1.00 0.00 H new ATOM 0 HG23 ILE B 44 20.458 -9.581 -8.019 1.00 0.00 H new ATOM 0 HD11 ILE B 44 17.467 -12.513 -9.840 1.00 0.00 H new ATOM 0 HD12 ILE B 44 16.645 -10.944 -10.007 1.00 0.00 H new ATOM 0 HD13 ILE B 44 18.294 -11.156 -10.640 1.00 0.00 H new ATOM 1683 N VAL B 45 16.752 -6.947 -6.724 1.00 0.00 N ATOM 1684 CA VAL B 45 16.414 -5.501 -6.773 1.00 0.00 C ATOM 1685 C VAL B 45 17.681 -4.635 -6.839 1.00 0.00 C ATOM 1686 O VAL B 45 18.370 -4.450 -5.857 1.00 0.00 O ATOM 1687 CB VAL B 45 15.664 -5.258 -5.471 1.00 0.00 C ATOM 1688 CG1 VAL B 45 14.277 -5.904 -5.538 1.00 0.00 C ATOM 1689 CG2 VAL B 45 16.455 -5.852 -4.302 1.00 0.00 C ATOM 0 H VAL B 45 16.082 -7.521 -6.213 1.00 0.00 H new ATOM 0 HA VAL B 45 15.830 -5.240 -7.656 1.00 0.00 H new ATOM 0 HB VAL B 45 15.549 -4.185 -5.321 1.00 0.00 H new ATOM 0 HG11 VAL B 45 13.747 -5.726 -4.602 1.00 0.00 H new ATOM 0 HG12 VAL B 45 13.713 -5.470 -6.363 1.00 0.00 H new ATOM 0 HG13 VAL B 45 14.383 -6.977 -5.696 1.00 0.00 H new ATOM 0 HG21 VAL B 45 15.916 -5.676 -3.371 1.00 0.00 H new ATOM 0 HG22 VAL B 45 16.578 -6.924 -4.453 1.00 0.00 H new ATOM 0 HG23 VAL B 45 17.435 -5.378 -4.248 1.00 0.00 H new ATOM 1699 N ASN B 46 18.001 -4.111 -7.993 1.00 0.00 N ATOM 1700 CA ASN B 46 19.228 -3.269 -8.109 1.00 0.00 C ATOM 1701 C ASN B 46 19.282 -2.579 -9.479 1.00 0.00 C ATOM 1702 O ASN B 46 18.673 -3.023 -10.432 1.00 0.00 O ATOM 1703 CB ASN B 46 20.390 -4.250 -7.958 1.00 0.00 C ATOM 1704 CG ASN B 46 21.692 -3.575 -8.388 1.00 0.00 C ATOM 1705 OD1 ASN B 46 21.855 -2.382 -8.230 1.00 0.00 O ATOM 1706 ND2 ASN B 46 22.633 -4.295 -8.929 1.00 0.00 N ATOM 0 H ASN B 46 17.469 -4.229 -8.856 1.00 0.00 H new ATOM 0 HA ASN B 46 19.256 -2.478 -7.360 1.00 0.00 H new ATOM 0 HB2 ASN B 46 20.466 -4.582 -6.923 1.00 0.00 H new ATOM 0 HB3 ASN B 46 20.211 -5.137 -8.565 1.00 0.00 H new ATOM 0 HD21 ASN B 46 23.507 -3.857 -9.220 1.00 0.00 H new ATOM 0 HD22 ASN B 46 22.496 -5.297 -9.062 1.00 0.00 H new ATOM 1713 N ILE B 47 20.013 -1.501 -9.581 1.00 0.00 N ATOM 1714 CA ILE B 47 20.117 -0.781 -10.885 1.00 0.00 C ATOM 1715 C ILE B 47 21.584 -0.468 -11.195 1.00 0.00 C ATOM 1716 O ILE B 47 22.340 -0.073 -10.330 1.00 0.00 O ATOM 1717 CB ILE B 47 19.324 0.512 -10.694 1.00 0.00 C ATOM 1718 CG1 ILE B 47 19.454 1.379 -11.948 1.00 0.00 C ATOM 1719 CG2 ILE B 47 19.874 1.277 -9.488 1.00 0.00 C ATOM 1720 CD1 ILE B 47 18.384 0.975 -12.964 1.00 0.00 C ATOM 0 H ILE B 47 20.544 -1.086 -8.815 1.00 0.00 H new ATOM 0 HA ILE B 47 19.732 -1.373 -11.715 1.00 0.00 H new ATOM 0 HB ILE B 47 18.275 0.271 -10.523 1.00 0.00 H new ATOM 0 HG12 ILE B 47 19.344 2.432 -11.688 1.00 0.00 H new ATOM 0 HG13 ILE B 47 20.446 1.261 -12.383 1.00 0.00 H new ATOM 0 HG21 ILE B 47 19.308 2.199 -9.353 1.00 0.00 H new ATOM 0 HG22 ILE B 47 19.783 0.661 -8.594 1.00 0.00 H new ATOM 0 HG23 ILE B 47 20.924 1.517 -9.657 1.00 0.00 H new ATOM 0 HD11 ILE B 47 18.478 1.593 -13.857 1.00 0.00 H new ATOM 0 HD12 ILE B 47 18.515 -0.073 -13.233 1.00 0.00 H new ATOM 0 HD13 ILE B 47 17.395 1.116 -12.527 1.00 0.00 H new ATOM 1732 N THR B 48 21.996 -0.646 -12.421 1.00 0.00 N ATOM 1733 CA THR B 48 23.416 -0.361 -12.780 1.00 0.00 C ATOM 1734 C THR B 48 23.695 1.144 -12.717 1.00 0.00 C ATOM 1735 O THR B 48 22.879 1.954 -13.108 1.00 0.00 O ATOM 1736 CB THR B 48 23.579 -0.870 -14.213 1.00 0.00 C ATOM 1737 OG1 THR B 48 22.489 -1.722 -14.542 1.00 0.00 O ATOM 1738 CG2 THR B 48 24.892 -1.646 -14.335 1.00 0.00 C ATOM 0 H THR B 48 21.412 -0.976 -13.189 1.00 0.00 H new ATOM 0 HA THR B 48 24.112 -0.842 -12.092 1.00 0.00 H new ATOM 0 HB THR B 48 23.595 -0.023 -14.899 1.00 0.00 H new ATOM 0 HG1 THR B 48 22.593 -2.046 -15.461 1.00 0.00 H new ATOM 0 HG21 THR B 48 25.007 -2.008 -15.357 1.00 0.00 H new ATOM 0 HG22 THR B 48 25.727 -0.990 -14.086 1.00 0.00 H new ATOM 0 HG23 THR B 48 24.879 -2.493 -13.649 1.00 0.00 H new ATOM 1746 N SER B 49 24.847 1.522 -12.232 1.00 0.00 N ATOM 1747 CA SER B 49 25.185 2.973 -12.150 1.00 0.00 C ATOM 1748 C SER B 49 26.689 3.177 -12.363 1.00 0.00 C ATOM 1749 O SER B 49 27.435 2.231 -12.526 1.00 0.00 O ATOM 1750 CB SER B 49 24.782 3.398 -10.739 1.00 0.00 C ATOM 1751 OG SER B 49 25.731 2.896 -9.810 1.00 0.00 O ATOM 0 H SER B 49 25.569 0.889 -11.889 1.00 0.00 H new ATOM 0 HA SER B 49 24.672 3.559 -12.912 1.00 0.00 H new ATOM 0 HB2 SER B 49 24.732 4.485 -10.674 1.00 0.00 H new ATOM 0 HB3 SER B 49 23.788 3.019 -10.502 1.00 0.00 H new ATOM 0 HG SER B 49 25.477 3.168 -8.903 1.00 0.00 H new ATOM 1757 N GLN B 50 27.139 4.402 -12.365 1.00 0.00 N ATOM 1758 CA GLN B 50 28.595 4.664 -12.568 1.00 0.00 C ATOM 1759 C GLN B 50 29.430 3.744 -11.671 1.00 0.00 C ATOM 1760 O GLN B 50 29.618 4.007 -10.501 1.00 0.00 O ATOM 1761 CB GLN B 50 28.794 6.128 -12.169 1.00 0.00 C ATOM 1762 CG GLN B 50 30.252 6.532 -12.403 1.00 0.00 C ATOM 1763 CD GLN B 50 30.301 7.865 -13.154 1.00 0.00 C ATOM 1764 OE1 GLN B 50 30.273 7.892 -14.369 1.00 0.00 O ATOM 1765 NE2 GLN B 50 30.375 8.980 -12.480 1.00 0.00 N ATOM 0 H GLN B 50 26.563 5.234 -12.235 1.00 0.00 H new ATOM 0 HA GLN B 50 28.909 4.475 -13.595 1.00 0.00 H new ATOM 0 HB2 GLN B 50 28.131 6.767 -12.752 1.00 0.00 H new ATOM 0 HB3 GLN B 50 28.531 6.268 -11.120 1.00 0.00 H new ATOM 0 HG2 GLN B 50 30.773 6.621 -11.450 1.00 0.00 H new ATOM 0 HG3 GLN B 50 30.766 5.761 -12.977 1.00 0.00 H new ATOM 0 HE21 GLN B 50 30.399 8.959 -11.460 1.00 0.00 H new ATOM 0 HE22 GLN B 50 30.409 9.872 -12.973 1.00 0.00 H new ATOM 1774 N VAL B 51 29.932 2.666 -12.213 1.00 0.00 N ATOM 1775 CA VAL B 51 30.754 1.731 -11.391 1.00 0.00 C ATOM 1776 C VAL B 51 31.672 0.900 -12.294 1.00 0.00 C ATOM 1777 O VAL B 51 32.869 1.106 -12.336 1.00 0.00 O ATOM 1778 CB VAL B 51 29.741 0.832 -10.680 1.00 0.00 C ATOM 1779 CG1 VAL B 51 30.475 -0.312 -9.978 1.00 0.00 C ATOM 1780 CG2 VAL B 51 28.970 1.652 -9.644 1.00 0.00 C ATOM 0 H VAL B 51 29.808 2.393 -13.188 1.00 0.00 H new ATOM 0 HA VAL B 51 31.396 2.257 -10.685 1.00 0.00 H new ATOM 0 HB VAL B 51 29.045 0.422 -11.412 1.00 0.00 H new ATOM 0 HG11 VAL B 51 29.752 -0.952 -9.472 1.00 0.00 H new ATOM 0 HG12 VAL B 51 31.025 -0.898 -10.715 1.00 0.00 H new ATOM 0 HG13 VAL B 51 31.172 0.097 -9.247 1.00 0.00 H new ATOM 0 HG21 VAL B 51 28.248 1.012 -9.137 1.00 0.00 H new ATOM 0 HG22 VAL B 51 29.667 2.063 -8.913 1.00 0.00 H new ATOM 0 HG23 VAL B 51 28.445 2.467 -10.142 1.00 0.00 H new ATOM 1790 N GLN B 52 31.120 -0.036 -13.016 1.00 0.00 N ATOM 1791 CA GLN B 52 31.958 -0.881 -13.919 1.00 0.00 C ATOM 1792 C GLN B 52 33.246 -1.304 -13.207 1.00 0.00 C ATOM 1793 O GLN B 52 34.333 -0.932 -13.602 1.00 0.00 O ATOM 1794 CB GLN B 52 32.279 0.016 -15.116 1.00 0.00 C ATOM 1795 CG GLN B 52 30.980 0.595 -15.682 1.00 0.00 C ATOM 1796 CD GLN B 52 31.271 1.307 -17.004 1.00 0.00 C ATOM 1797 OE1 GLN B 52 31.855 2.372 -17.020 1.00 0.00 O ATOM 1798 NE2 GLN B 52 30.884 0.759 -18.124 1.00 0.00 N ATOM 0 H GLN B 52 30.124 -0.254 -13.021 1.00 0.00 H new ATOM 0 HA GLN B 52 31.446 -1.796 -14.219 1.00 0.00 H new ATOM 0 HB2 GLN B 52 32.947 0.822 -14.811 1.00 0.00 H new ATOM 0 HB3 GLN B 52 32.800 -0.556 -15.884 1.00 0.00 H new ATOM 0 HG2 GLN B 52 30.252 -0.201 -15.838 1.00 0.00 H new ATOM 0 HG3 GLN B 52 30.540 1.293 -14.970 1.00 0.00 H new ATOM 0 HE21 GLN B 52 30.394 -0.135 -18.111 1.00 0.00 H new ATOM 0 HE22 GLN B 52 31.072 1.225 -19.012 1.00 0.00 H new ATOM 1807 N THR B 53 33.134 -2.080 -12.164 1.00 0.00 N ATOM 1808 CA THR B 53 34.355 -2.526 -11.431 1.00 0.00 C ATOM 1809 C THR B 53 33.971 -3.428 -10.256 1.00 0.00 C ATOM 1810 O THR B 53 33.411 -2.981 -9.275 1.00 0.00 O ATOM 1811 CB THR B 53 35.008 -1.240 -10.924 1.00 0.00 C ATOM 1812 OG1 THR B 53 36.167 -1.567 -10.170 1.00 0.00 O ATOM 1813 CG2 THR B 53 34.019 -0.478 -10.040 1.00 0.00 C ATOM 0 H THR B 53 32.251 -2.425 -11.787 1.00 0.00 H new ATOM 0 HA THR B 53 35.027 -3.102 -12.067 1.00 0.00 H new ATOM 0 HB THR B 53 35.289 -0.615 -11.771 1.00 0.00 H new ATOM 0 HG1 THR B 53 36.589 -0.744 -9.845 1.00 0.00 H new ATOM 0 HG21 THR B 53 34.485 0.439 -9.679 1.00 0.00 H new ATOM 0 HG22 THR B 53 33.130 -0.229 -10.620 1.00 0.00 H new ATOM 0 HG23 THR B 53 33.736 -1.100 -9.191 1.00 0.00 H new ATOM 1821 N GLU B 54 34.268 -4.696 -10.346 1.00 0.00 N ATOM 1822 CA GLU B 54 33.921 -5.623 -9.232 1.00 0.00 C ATOM 1823 C GLU B 54 34.911 -6.793 -9.187 1.00 0.00 C ATOM 1824 O GLU B 54 35.900 -6.751 -8.482 1.00 0.00 O ATOM 1825 CB GLU B 54 32.509 -6.118 -9.553 1.00 0.00 C ATOM 1826 CG GLU B 54 32.077 -7.141 -8.504 1.00 0.00 C ATOM 1827 CD GLU B 54 31.254 -8.243 -9.175 1.00 0.00 C ATOM 1828 OE1 GLU B 54 31.615 -8.638 -10.271 1.00 0.00 O ATOM 1829 OE2 GLU B 54 30.279 -8.670 -8.582 1.00 0.00 O ATOM 0 H GLU B 54 34.736 -5.129 -11.142 1.00 0.00 H new ATOM 0 HA GLU B 54 33.967 -5.136 -8.258 1.00 0.00 H new ATOM 0 HB2 GLU B 54 31.813 -5.280 -9.567 1.00 0.00 H new ATOM 0 HB3 GLU B 54 32.487 -6.568 -10.546 1.00 0.00 H new ATOM 0 HG2 GLU B 54 32.953 -7.571 -8.018 1.00 0.00 H new ATOM 0 HG3 GLU B 54 31.488 -6.654 -7.727 1.00 0.00 H new ATOM 1836 N ARG B 55 34.657 -7.833 -9.934 1.00 0.00 N ATOM 1837 CA ARG B 55 35.592 -8.997 -9.930 1.00 0.00 C ATOM 1838 C ARG B 55 36.613 -8.852 -11.061 1.00 0.00 C ATOM 1839 O ARG B 55 36.488 -7.999 -11.916 1.00 0.00 O ATOM 1840 CB ARG B 55 34.704 -10.222 -10.163 1.00 0.00 C ATOM 1841 CG ARG B 55 34.891 -11.215 -9.014 1.00 0.00 C ATOM 1842 CD ARG B 55 34.068 -10.759 -7.807 1.00 0.00 C ATOM 1843 NE ARG B 55 34.127 -11.897 -6.849 1.00 0.00 N ATOM 1844 CZ ARG B 55 33.520 -11.811 -5.697 1.00 0.00 C ATOM 1845 NH1 ARG B 55 33.782 -10.816 -4.895 1.00 0.00 N ATOM 1846 NH2 ARG B 55 32.651 -12.720 -5.347 1.00 0.00 N ATOM 0 H ARG B 55 33.846 -7.928 -10.545 1.00 0.00 H new ATOM 0 HA ARG B 55 36.154 -9.074 -8.999 1.00 0.00 H new ATOM 0 HB2 ARG B 55 33.659 -9.919 -10.229 1.00 0.00 H new ATOM 0 HB3 ARG B 55 34.960 -10.695 -11.111 1.00 0.00 H new ATOM 0 HG2 ARG B 55 34.578 -12.211 -9.326 1.00 0.00 H new ATOM 0 HG3 ARG B 55 35.945 -11.282 -8.745 1.00 0.00 H new ATOM 0 HD2 ARG B 55 34.481 -9.851 -7.368 1.00 0.00 H new ATOM 0 HD3 ARG B 55 33.040 -10.536 -8.092 1.00 0.00 H new ATOM 0 HE ARG B 55 34.641 -12.743 -7.093 1.00 0.00 H new ATOM 0 HH11 ARG B 55 34.461 -10.106 -5.168 1.00 0.00 H new ATOM 0 HH12 ARG B 55 33.308 -10.748 -3.994 1.00 0.00 H new ATOM 0 HH21 ARG B 55 32.446 -13.498 -5.974 1.00 0.00 H new ATOM 0 HH22 ARG B 55 32.177 -12.652 -4.446 1.00 0.00 H new ATOM 1860 N ASN B 56 37.624 -9.675 -11.072 1.00 0.00 N ATOM 1861 CA ASN B 56 38.650 -9.578 -12.148 1.00 0.00 C ATOM 1862 C ASN B 56 38.497 -10.738 -13.135 1.00 0.00 C ATOM 1863 O ASN B 56 38.036 -10.562 -14.246 1.00 0.00 O ATOM 1864 CB ASN B 56 39.994 -9.666 -11.425 1.00 0.00 C ATOM 1865 CG ASN B 56 40.307 -8.322 -10.766 1.00 0.00 C ATOM 1866 OD1 ASN B 56 40.586 -7.351 -11.441 1.00 0.00 O ATOM 1867 ND2 ASN B 56 40.271 -8.225 -9.466 1.00 0.00 N ATOM 0 H ASN B 56 37.784 -10.410 -10.383 1.00 0.00 H new ATOM 0 HA ASN B 56 38.555 -8.657 -12.724 1.00 0.00 H new ATOM 0 HB2 ASN B 56 39.963 -10.454 -10.672 1.00 0.00 H new ATOM 0 HB3 ASN B 56 40.782 -9.930 -12.130 1.00 0.00 H new ATOM 0 HD21 ASN B 56 40.477 -7.334 -9.015 1.00 0.00 H new ATOM 0 HD22 ASN B 56 40.037 -9.041 -8.900 1.00 0.00 H new ATOM 1874 N ILE B 57 38.884 -11.920 -12.743 1.00 0.00 N ATOM 1875 CA ILE B 57 38.764 -13.086 -13.664 1.00 0.00 C ATOM 1876 C ILE B 57 38.025 -14.241 -12.980 1.00 0.00 C ATOM 1877 O ILE B 57 37.495 -15.120 -13.631 1.00 0.00 O ATOM 1878 CB ILE B 57 40.205 -13.482 -13.982 1.00 0.00 C ATOM 1879 CG1 ILE B 57 40.960 -13.744 -12.675 1.00 0.00 C ATOM 1880 CG2 ILE B 57 40.887 -12.344 -14.745 1.00 0.00 C ATOM 1881 CD1 ILE B 57 42.401 -14.150 -12.988 1.00 0.00 C ATOM 0 H ILE B 57 39.278 -12.129 -11.826 1.00 0.00 H new ATOM 0 HA ILE B 57 38.196 -12.844 -14.562 1.00 0.00 H new ATOM 0 HB ILE B 57 40.210 -14.385 -14.593 1.00 0.00 H new ATOM 0 HG12 ILE B 57 40.951 -12.850 -12.052 1.00 0.00 H new ATOM 0 HG13 ILE B 57 40.464 -14.532 -12.108 1.00 0.00 H new ATOM 0 HG21 ILE B 57 41.915 -12.624 -14.973 1.00 0.00 H new ATOM 0 HG22 ILE B 57 40.348 -12.154 -15.673 1.00 0.00 H new ATOM 0 HG23 ILE B 57 40.884 -11.442 -14.133 1.00 0.00 H new ATOM 0 HD11 ILE B 57 42.937 -14.336 -12.057 1.00 0.00 H new ATOM 0 HD12 ILE B 57 42.400 -15.056 -13.594 1.00 0.00 H new ATOM 0 HD13 ILE B 57 42.894 -13.347 -13.536 1.00 0.00 H new ATOM 1893 N ASN B 58 37.985 -14.251 -11.676 1.00 0.00 N ATOM 1894 CA ASN B 58 37.278 -15.354 -10.964 1.00 0.00 C ATOM 1895 C ASN B 58 37.963 -16.691 -11.258 1.00 0.00 C ATOM 1896 O ASN B 58 37.990 -17.150 -12.384 1.00 0.00 O ATOM 1897 CB ASN B 58 35.857 -15.342 -11.528 1.00 0.00 C ATOM 1898 CG ASN B 58 34.899 -15.971 -10.515 1.00 0.00 C ATOM 1899 OD1 ASN B 58 35.087 -15.844 -9.323 1.00 0.00 O ATOM 1900 ND2 ASN B 58 33.869 -16.648 -10.945 1.00 0.00 N ATOM 0 H ASN B 58 38.410 -13.546 -11.074 1.00 0.00 H new ATOM 0 HA ASN B 58 37.286 -15.223 -9.882 1.00 0.00 H new ATOM 0 HB2 ASN B 58 35.550 -14.319 -11.748 1.00 0.00 H new ATOM 0 HB3 ASN B 58 35.823 -15.894 -12.467 1.00 0.00 H new ATOM 0 HD21 ASN B 58 33.222 -17.070 -10.279 1.00 0.00 H new ATOM 0 HD22 ASN B 58 33.711 -16.755 -11.947 1.00 0.00 H new ATOM 1907 N ARG B 59 38.519 -17.318 -10.259 1.00 0.00 N ATOM 1908 CA ARG B 59 39.205 -18.623 -10.484 1.00 0.00 C ATOM 1909 C ARG B 59 38.600 -19.704 -9.584 1.00 0.00 C ATOM 1910 O ARG B 59 39.238 -20.195 -8.674 1.00 0.00 O ATOM 1911 CB ARG B 59 40.667 -18.373 -10.111 1.00 0.00 C ATOM 1912 CG ARG B 59 41.291 -17.399 -11.112 1.00 0.00 C ATOM 1913 CD ARG B 59 42.486 -18.066 -11.798 1.00 0.00 C ATOM 1914 NE ARG B 59 43.389 -18.474 -10.685 1.00 0.00 N ATOM 1915 CZ ARG B 59 44.170 -17.595 -10.122 1.00 0.00 C ATOM 1916 NH1 ARG B 59 45.310 -17.281 -10.678 1.00 0.00 N ATOM 1917 NH2 ARG B 59 43.814 -17.029 -9.001 1.00 0.00 N ATOM 0 H ARG B 59 38.528 -16.984 -9.295 1.00 0.00 H new ATOM 0 HA ARG B 59 39.100 -18.971 -11.512 1.00 0.00 H new ATOM 0 HB2 ARG B 59 40.731 -17.965 -9.102 1.00 0.00 H new ATOM 0 HB3 ARG B 59 41.219 -19.313 -10.110 1.00 0.00 H new ATOM 0 HG2 ARG B 59 40.551 -17.101 -11.855 1.00 0.00 H new ATOM 0 HG3 ARG B 59 41.612 -16.491 -10.601 1.00 0.00 H new ATOM 0 HD2 ARG B 59 42.173 -18.927 -12.388 1.00 0.00 H new ATOM 0 HD3 ARG B 59 42.985 -17.377 -12.479 1.00 0.00 H new ATOM 0 HE ARG B 59 43.396 -19.442 -10.363 1.00 0.00 H new ATOM 0 HH11 ARG B 59 45.590 -17.724 -11.553 1.00 0.00 H new ATOM 0 HH12 ARG B 59 45.920 -16.593 -10.237 1.00 0.00 H new ATOM 0 HH21 ARG B 59 42.925 -17.274 -8.566 1.00 0.00 H new ATOM 0 HH22 ARG B 59 44.425 -16.341 -8.560 1.00 0.00 H new ATOM 1931 N ALA B 60 37.375 -20.078 -9.830 1.00 0.00 N ATOM 1932 CA ALA B 60 36.736 -21.128 -8.987 1.00 0.00 C ATOM 1933 C ALA B 60 36.823 -20.743 -7.506 1.00 0.00 C ATOM 1934 O ALA B 60 37.583 -21.378 -6.794 1.00 0.00 O ATOM 1935 CB ALA B 60 37.541 -22.399 -9.260 1.00 0.00 C ATOM 1936 OXT ALA B 60 36.129 -19.821 -7.111 1.00 0.00 O ATOM 0 H ALA B 60 36.790 -19.703 -10.576 1.00 0.00 H new ATOM 0 HA ALA B 60 35.679 -21.258 -9.219 1.00 0.00 H new ATOM 0 HB1 ALA B 60 37.132 -23.222 -8.674 1.00 0.00 H new ATOM 0 HB2 ALA B 60 37.484 -22.645 -10.320 1.00 0.00 H new ATOM 0 HB3 ALA B 60 38.582 -22.237 -8.980 1.00 0.00 H new TER 1942 ALA B 60