USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1014 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: B 20 SER OG : rot 180:sc= -0.0539 USER MOD Set 1.2: B 24 LYS NZ :NH3+ -154:sc= 0.0265 (180deg=0) USER MOD Set 2.1: A 12 SER OG : rot 60:sc= 0.527 USER MOD Set 2.2: B 18 THR OG1 : rot 84:sc= 0.982 USER MOD Set 3.1: B 6 SER OG : rot 180:sc= -0.445 USER MOD Set 3.2: B 9 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 75 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.71) USER MOD Set 4.2: A 88 LYS NZ :NH3+ -172:sc= 0 (180deg=0) USER MOD Set 5.1: A 46 THR OG1 : rot 90:sc= 1.18 USER MOD Set 5.2: A 60 CYS SG : rot 20:sc= -11.7! USER MOD Set 6.1: A 45 HIS : no HE2:sc= -6.16! C(o=-12!,f=-31!) USER MOD Set 6.2: A 52 LYS NZ :NH3+ 162:sc= -1.3! (180deg=-1.81) USER MOD Set 6.3: A 57 CYS SG : rot 60:sc= -2.83 USER MOD Set 6.4: B 30 ASN : amide:sc= -1.96 K(o=-12,f=-23!) USER MOD Set 7.1: A 19 SER OG : rot 70:sc= -0.124 USER MOD Set 7.2: A 22 HIS : no HD1:sc= -0.246 K(o=-1.8,f=-2.3) USER MOD Set 7.3: A 31 CYS SG : rot -179:sc= -1.94! USER MOD Set 7.4: A 36 CYS SG : rot -143:sc= 0.521 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= -1.86 USER MOD Single : A 8 SER OG : rot 131:sc= -0.449 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 18 GLN : amide:sc=-0.00184 K(o=-0.0018,f=-1.3!) USER MOD Single : A 25 GLN :FLIP amide:sc= -3.98! C(o=-6.7!,f=-4!) USER MOD Single : A 26 CYS SG : rot 180:sc= -0.036 USER MOD Single : A 28 ASN : amide:sc= 0.0108 K(o=0.011,f=-1.6) USER MOD Single : A 30 ASN : amide:sc=-0.00729 K(o=-0.0073,f=-1.8!) USER MOD Single : A 32 SER OG : rot 180:sc= 0.00626 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 38 LYS NZ :NH3+ -121:sc= 0.866 (180deg=-7.36!) USER MOD Single : A 39 MET CE :methyl -148:sc= -0.14 (180deg=-2.08) USER MOD Single : A 40 LYS NZ :NH3+ -175:sc= -5.63! (180deg=-5.93!) USER MOD Single : A 44 GLN : amide:sc= -1.75 K(o=-1.8,f=-3.8!) USER MOD Single : A 47 LYS NZ :NH3+ -154:sc= -0.15 (180deg=-1.02) USER MOD Single : A 49 CYS SG : rot -171:sc= -0.332 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 60:sc= 0.784 USER MOD Single : A 54 ASN : amide:sc= -0.0607 K(o=-0.061,f=-1.3!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.19 K(o=-0.19,f=-1.5!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.0391 K(o=-0.039,f=-0.75) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.167 K(o=-0.17,f=-0.86) USER MOD Single : A 74 CYS SG : rot -91:sc= 0.828 USER MOD Single : A 77 ASN : amide:sc= -0.566 K(o=-0.57,f=-4) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 CYS SG : rot -70:sc= -1.92! USER MOD Single : A 86 ASN : amide:sc= -0.587 K(o=-0.59,f=-1.2) USER MOD Single : A 89 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.42) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -161:sc= -0.0308 (180deg=-0.447) USER MOD Single : B 5 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 15 SER OG : rot -86:sc= 0.718 USER MOD Single : B 16 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : B 29 ASN : amide:sc= -0.725 K(o=-0.72,f=-4.2!) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 38 GLN : amide:sc= -0.144 K(o=-0.14,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.616 -0.163 19.966 1.00 0.00 N ATOM 2 CA ALA A 1 -17.815 -1.022 19.755 1.00 0.00 C ATOM 3 C ALA A 1 -17.452 -2.184 18.833 1.00 0.00 C ATOM 4 O ALA A 1 -16.903 -3.193 19.277 1.00 0.00 O ATOM 5 CB ALA A 1 -18.934 -0.186 19.130 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.862 0.629 20.594 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.857 -0.726 20.400 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.290 0.209 19.051 1.00 0.00 H new ATOM 0 HA ALA A 1 -18.157 -1.419 20.711 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -19.813 -0.812 18.975 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -19.189 0.638 19.797 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -18.599 0.213 18.173 1.00 0.00 H new ATOM 13 N THR A 2 -17.762 -2.035 17.549 1.00 0.00 N ATOM 14 CA THR A 2 -17.467 -3.076 16.572 1.00 0.00 C ATOM 15 C THR A 2 -15.962 -3.238 16.394 1.00 0.00 C ATOM 16 O THR A 2 -15.486 -4.327 16.076 1.00 0.00 O ATOM 17 CB THR A 2 -18.107 -2.728 15.226 1.00 0.00 C ATOM 18 OG1 THR A 2 -17.595 -1.486 14.766 1.00 0.00 O ATOM 19 CG2 THR A 2 -19.625 -2.625 15.391 1.00 0.00 C ATOM 0 H THR A 2 -18.215 -1.207 17.162 1.00 0.00 H new ATOM 0 HA THR A 2 -17.880 -4.016 16.939 1.00 0.00 H new ATOM 0 HB THR A 2 -17.874 -3.508 14.502 1.00 0.00 H new ATOM 0 HG1 THR A 2 -18.003 -1.263 13.903 1.00 0.00 H new ATOM 0 HG21 THR A 2 -20.079 -2.377 14.432 1.00 0.00 H new ATOM 0 HG22 THR A 2 -20.018 -3.579 15.743 1.00 0.00 H new ATOM 0 HG23 THR A 2 -19.860 -1.846 16.116 1.00 0.00 H new ATOM 27 N GLN A 3 -15.224 -2.139 16.585 1.00 0.00 N ATOM 28 CA GLN A 3 -13.763 -2.137 16.435 1.00 0.00 C ATOM 29 C GLN A 3 -13.166 -3.517 16.699 1.00 0.00 C ATOM 30 O GLN A 3 -13.524 -4.184 17.669 1.00 0.00 O ATOM 31 CB GLN A 3 -13.146 -1.131 17.407 1.00 0.00 C ATOM 32 CG GLN A 3 -13.589 0.282 17.027 1.00 0.00 C ATOM 33 CD GLN A 3 -12.987 1.295 17.994 1.00 0.00 C ATOM 34 OE1 GLN A 3 -13.310 1.289 19.182 1.00 0.00 O ATOM 35 NE2 GLN A 3 -12.124 2.169 17.554 1.00 0.00 N ATOM 0 H GLN A 3 -15.617 -1.234 16.845 1.00 0.00 H new ATOM 0 HA GLN A 3 -13.537 -1.858 15.406 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -13.455 -1.358 18.427 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -12.059 -1.203 17.380 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.275 0.509 16.008 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -14.677 0.349 17.048 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -11.858 2.172 16.569 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -11.715 2.849 18.195 1.00 0.00 H new ATOM 44 N SER A 4 -12.268 -3.940 15.818 1.00 0.00 N ATOM 45 CA SER A 4 -11.639 -5.247 15.947 1.00 0.00 C ATOM 46 C SER A 4 -10.448 -5.338 14.996 1.00 0.00 C ATOM 47 O SER A 4 -10.138 -4.371 14.302 1.00 0.00 O ATOM 48 CB SER A 4 -12.679 -6.337 15.640 1.00 0.00 C ATOM 49 OG SER A 4 -12.580 -7.372 16.610 1.00 0.00 O ATOM 0 H SER A 4 -11.960 -3.399 15.010 1.00 0.00 H new ATOM 0 HA SER A 4 -11.273 -5.391 16.963 1.00 0.00 H new ATOM 0 HB2 SER A 4 -13.682 -5.911 15.648 1.00 0.00 H new ATOM 0 HB3 SER A 4 -12.513 -6.742 14.642 1.00 0.00 H new ATOM 0 HG SER A 4 -13.244 -8.067 16.416 1.00 0.00 H new ATOM 55 N PRO A 5 -9.785 -6.465 14.928 1.00 0.00 N ATOM 56 CA PRO A 5 -8.626 -6.635 14.013 1.00 0.00 C ATOM 57 C PRO A 5 -9.060 -6.281 12.610 1.00 0.00 C ATOM 58 O PRO A 5 -8.305 -5.714 11.825 1.00 0.00 O ATOM 59 CB PRO A 5 -8.262 -8.117 14.154 1.00 0.00 C ATOM 60 CG PRO A 5 -8.736 -8.461 15.522 1.00 0.00 C ATOM 61 CD PRO A 5 -10.048 -7.695 15.683 1.00 0.00 C ATOM 0 HA PRO A 5 -7.771 -5.998 14.241 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.753 -8.725 13.394 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -7.189 -8.279 14.048 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.889 -9.535 15.630 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -8.009 -8.165 16.279 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.895 -8.248 15.277 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -10.274 -7.490 16.729 1.00 0.00 H new ATOM 69 N GLY A 6 -10.319 -6.589 12.334 1.00 0.00 N ATOM 70 CA GLY A 6 -10.901 -6.274 11.050 1.00 0.00 C ATOM 71 C GLY A 6 -10.788 -4.776 10.818 1.00 0.00 C ATOM 72 O GLY A 6 -10.574 -4.318 9.698 1.00 0.00 O ATOM 0 H GLY A 6 -10.951 -7.056 12.985 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -10.387 -6.819 10.258 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -11.946 -6.583 11.023 1.00 0.00 H new ATOM 76 N ASP A 7 -10.884 -4.024 11.912 1.00 0.00 N ATOM 77 CA ASP A 7 -10.751 -2.573 11.854 1.00 0.00 C ATOM 78 C ASP A 7 -9.274 -2.208 11.848 1.00 0.00 C ATOM 79 O ASP A 7 -8.875 -1.180 11.300 1.00 0.00 O ATOM 80 CB ASP A 7 -11.447 -1.920 13.053 1.00 0.00 C ATOM 81 CG ASP A 7 -11.563 -0.414 12.830 1.00 0.00 C ATOM 82 OD1 ASP A 7 -10.763 0.118 12.079 1.00 0.00 O ATOM 83 OD2 ASP A 7 -12.452 0.184 13.414 1.00 0.00 O ATOM 0 H ASP A 7 -11.053 -4.396 12.847 1.00 0.00 H new ATOM 0 HA ASP A 7 -11.225 -2.207 10.943 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.438 -2.353 13.190 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.883 -2.119 13.964 1.00 0.00 H new ATOM 88 N SER A 8 -8.464 -3.086 12.431 1.00 0.00 N ATOM 89 CA SER A 8 -7.024 -2.884 12.461 1.00 0.00 C ATOM 90 C SER A 8 -6.463 -3.136 11.072 1.00 0.00 C ATOM 91 O SER A 8 -5.512 -2.486 10.639 1.00 0.00 O ATOM 92 CB SER A 8 -6.372 -3.826 13.480 1.00 0.00 C ATOM 93 OG SER A 8 -5.073 -3.347 13.798 1.00 0.00 O ATOM 0 H SER A 8 -8.781 -3.941 12.887 1.00 0.00 H new ATOM 0 HA SER A 8 -6.806 -1.859 12.762 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.982 -3.883 14.382 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.310 -4.835 13.072 1.00 0.00 H new ATOM 0 HG SER A 8 -4.963 -3.323 14.771 1.00 0.00 H new ATOM 99 N ARG A 9 -7.094 -4.067 10.369 1.00 0.00 N ATOM 100 CA ARG A 9 -6.698 -4.389 9.011 1.00 0.00 C ATOM 101 C ARG A 9 -7.090 -3.246 8.096 1.00 0.00 C ATOM 102 O ARG A 9 -6.366 -2.891 7.164 1.00 0.00 O ATOM 103 CB ARG A 9 -7.356 -5.694 8.553 1.00 0.00 C ATOM 104 CG ARG A 9 -6.719 -6.873 9.290 1.00 0.00 C ATOM 105 CD ARG A 9 -7.396 -8.175 8.858 1.00 0.00 C ATOM 106 NE ARG A 9 -6.795 -9.309 9.550 1.00 0.00 N ATOM 107 CZ ARG A 9 -7.050 -10.556 9.173 1.00 0.00 C ATOM 108 NH1 ARG A 9 -7.853 -10.783 8.170 1.00 0.00 N ATOM 109 NH2 ARG A 9 -6.498 -11.555 9.807 1.00 0.00 N ATOM 0 H ARG A 9 -7.882 -4.611 10.720 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.618 -4.528 8.974 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.427 -5.663 8.752 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.235 -5.816 7.477 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -5.652 -6.917 9.073 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.820 -6.739 10.367 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.463 -8.129 9.078 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.298 -8.304 7.780 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.168 -9.141 10.337 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.285 -10.002 7.676 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.049 -11.741 7.880 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.871 -11.377 10.592 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.694 -12.513 9.518 1.00 0.00 H new ATOM 123 N ARG A 10 -8.231 -2.649 8.406 1.00 0.00 N ATOM 124 CA ARG A 10 -8.720 -1.507 7.643 1.00 0.00 C ATOM 125 C ARG A 10 -7.871 -0.284 7.962 1.00 0.00 C ATOM 126 O ARG A 10 -7.601 0.550 7.097 1.00 0.00 O ATOM 127 CB ARG A 10 -10.192 -1.224 7.957 1.00 0.00 C ATOM 128 CG ARG A 10 -11.081 -2.325 7.352 1.00 0.00 C ATOM 129 CD ARG A 10 -11.067 -2.255 5.817 1.00 0.00 C ATOM 130 NE ARG A 10 -12.313 -2.794 5.284 1.00 0.00 N ATOM 131 CZ ARG A 10 -12.566 -4.098 5.320 1.00 0.00 C ATOM 132 NH1 ARG A 10 -11.695 -4.917 5.842 1.00 0.00 N ATOM 133 NH2 ARG A 10 -13.687 -4.560 4.837 1.00 0.00 N ATOM 0 H ARG A 10 -8.835 -2.934 9.177 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.643 -1.739 6.581 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.340 -1.178 9.036 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.478 -0.252 7.554 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.729 -3.303 7.679 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -12.102 -2.215 7.716 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.939 -1.222 5.493 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.220 -2.819 5.426 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.001 -2.160 4.877 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.820 -4.556 6.222 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.889 -5.918 5.870 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.370 -3.920 4.431 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.880 -5.561 4.865 1.00 0.00 H new ATOM 147 N LEU A 11 -7.427 -0.207 9.211 1.00 0.00 N ATOM 148 CA LEU A 11 -6.572 0.889 9.645 1.00 0.00 C ATOM 149 C LEU A 11 -5.152 0.628 9.166 1.00 0.00 C ATOM 150 O LEU A 11 -4.383 1.562 8.931 1.00 0.00 O ATOM 151 CB LEU A 11 -6.595 1.018 11.178 1.00 0.00 C ATOM 152 CG LEU A 11 -7.820 1.848 11.631 1.00 0.00 C ATOM 153 CD1 LEU A 11 -8.249 1.440 13.049 1.00 0.00 C ATOM 154 CD2 LEU A 11 -7.467 3.341 11.635 1.00 0.00 C ATOM 0 H LEU A 11 -7.644 -0.888 9.938 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.940 1.822 9.219 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.631 0.028 11.632 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.677 1.494 11.523 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.637 1.659 10.935 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.112 2.033 13.353 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.514 0.383 13.059 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.426 1.615 13.742 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.334 3.919 11.955 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.640 3.517 12.322 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.176 3.649 10.631 1.00 0.00 H new ATOM 166 N SER A 12 -4.815 -0.651 9.004 1.00 0.00 N ATOM 167 CA SER A 12 -3.486 -1.008 8.531 1.00 0.00 C ATOM 168 C SER A 12 -3.300 -0.481 7.120 1.00 0.00 C ATOM 169 O SER A 12 -2.292 0.158 6.811 1.00 0.00 O ATOM 170 CB SER A 12 -3.301 -2.526 8.539 1.00 0.00 C ATOM 171 OG SER A 12 -2.092 -2.853 7.864 1.00 0.00 O ATOM 0 H SER A 12 -5.433 -1.441 9.190 1.00 0.00 H new ATOM 0 HA SER A 12 -2.744 -0.565 9.195 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.271 -2.895 9.564 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.147 -3.010 8.051 1.00 0.00 H new ATOM 0 HG SER A 12 -1.337 -2.427 8.321 1.00 0.00 H new ATOM 177 N ILE A 13 -4.286 -0.738 6.262 1.00 0.00 N ATOM 178 CA ILE A 13 -4.211 -0.267 4.893 1.00 0.00 C ATOM 179 C ILE A 13 -4.393 1.249 4.827 1.00 0.00 C ATOM 180 O ILE A 13 -3.879 1.890 3.921 1.00 0.00 O ATOM 181 CB ILE A 13 -5.265 -0.945 4.015 1.00 0.00 C ATOM 182 CG1 ILE A 13 -6.664 -0.605 4.526 1.00 0.00 C ATOM 183 CG2 ILE A 13 -5.065 -2.462 4.027 1.00 0.00 C ATOM 184 CD1 ILE A 13 -7.715 -1.271 3.634 1.00 0.00 C ATOM 0 H ILE A 13 -5.131 -1.262 6.491 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.221 -0.525 4.516 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.158 -0.582 2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.778 -0.945 5.555 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.808 0.475 4.529 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.821 -2.934 3.399 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.073 -2.701 3.643 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.158 -2.833 5.048 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.712 -1.026 4.001 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.606 -0.909 2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.576 -2.352 3.653 1.00 0.00 H new ATOM 196 N GLN A 14 -5.126 1.815 5.785 1.00 0.00 N ATOM 197 CA GLN A 14 -5.362 3.241 5.818 1.00 0.00 C ATOM 198 C GLN A 14 -4.035 3.979 5.948 1.00 0.00 C ATOM 199 O GLN A 14 -3.805 4.993 5.297 1.00 0.00 O ATOM 200 CB GLN A 14 -6.263 3.576 7.007 1.00 0.00 C ATOM 201 CG GLN A 14 -6.793 4.993 6.844 1.00 0.00 C ATOM 202 CD GLN A 14 -7.689 5.361 8.020 1.00 0.00 C ATOM 203 OE1 GLN A 14 -8.425 4.516 8.530 1.00 0.00 O ATOM 204 NE2 GLN A 14 -7.667 6.579 8.488 1.00 0.00 N ATOM 0 H GLN A 14 -5.564 1.298 6.547 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.851 3.552 4.895 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -7.091 2.869 7.063 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.705 3.488 7.939 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.961 5.694 6.778 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -7.353 5.074 5.912 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.056 7.277 8.064 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.260 6.833 9.278 1.00 0.00 H new ATOM 213 N ARG A 15 -3.157 3.427 6.775 1.00 0.00 N ATOM 214 CA ARG A 15 -1.833 3.992 6.981 1.00 0.00 C ATOM 215 C ARG A 15 -0.980 3.748 5.748 1.00 0.00 C ATOM 216 O ARG A 15 -0.227 4.621 5.311 1.00 0.00 O ATOM 217 CB ARG A 15 -1.181 3.362 8.217 1.00 0.00 C ATOM 218 CG ARG A 15 -1.863 3.895 9.479 1.00 0.00 C ATOM 219 CD ARG A 15 -1.239 3.247 10.715 1.00 0.00 C ATOM 220 NE ARG A 15 -1.883 3.753 11.923 1.00 0.00 N ATOM 221 CZ ARG A 15 -1.529 4.919 12.456 1.00 0.00 C ATOM 222 NH1 ARG A 15 -0.594 5.635 11.893 1.00 0.00 N ATOM 223 NH2 ARG A 15 -2.119 5.349 13.537 1.00 0.00 N ATOM 0 H ARG A 15 -3.341 2.583 7.317 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.918 5.066 7.145 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.268 2.276 8.174 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.117 3.596 8.239 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.756 4.978 9.532 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.931 3.681 9.445 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.347 2.164 10.662 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.170 3.459 10.747 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.618 3.202 12.367 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.136 5.300 11.045 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.321 6.529 12.301 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.852 4.791 13.974 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.847 6.243 13.945 1.00 0.00 H new ATOM 237 N ALA A 16 -1.144 2.568 5.157 1.00 0.00 N ATOM 238 CA ALA A 16 -0.419 2.243 3.944 1.00 0.00 C ATOM 239 C ALA A 16 -0.966 3.113 2.831 1.00 0.00 C ATOM 240 O ALA A 16 -0.220 3.639 2.010 1.00 0.00 O ATOM 241 CB ALA A 16 -0.585 0.758 3.599 1.00 0.00 C ATOM 0 H ALA A 16 -1.765 1.833 5.496 1.00 0.00 H new ATOM 0 HA ALA A 16 0.646 2.430 4.079 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.034 0.533 2.686 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.198 0.149 4.416 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.641 0.535 3.450 1.00 0.00 H new ATOM 247 N ILE A 17 -2.282 3.283 2.855 1.00 0.00 N ATOM 248 CA ILE A 17 -2.973 4.117 1.889 1.00 0.00 C ATOM 249 C ILE A 17 -2.528 5.558 2.070 1.00 0.00 C ATOM 250 O ILE A 17 -2.137 6.217 1.114 1.00 0.00 O ATOM 251 CB ILE A 17 -4.490 3.989 2.123 1.00 0.00 C ATOM 252 CG1 ILE A 17 -5.000 2.635 1.542 1.00 0.00 C ATOM 253 CG2 ILE A 17 -5.260 5.189 1.518 1.00 0.00 C ATOM 254 CD1 ILE A 17 -5.902 2.841 0.315 1.00 0.00 C ATOM 0 H ILE A 17 -2.895 2.847 3.543 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.739 3.801 0.872 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.678 4.001 3.197 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.148 2.014 1.266 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.552 2.095 2.311 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.327 5.066 1.701 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.916 6.113 1.982 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.079 5.233 0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.235 1.873 -0.058 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.769 3.439 0.597 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.343 3.358 -0.465 1.00 0.00 H new ATOM 266 N GLN A 18 -2.573 6.042 3.307 1.00 0.00 N ATOM 267 CA GLN A 18 -2.162 7.413 3.568 1.00 0.00 C ATOM 268 C GLN A 18 -0.807 7.682 2.926 1.00 0.00 C ATOM 269 O GLN A 18 -0.569 8.766 2.407 1.00 0.00 O ATOM 270 CB GLN A 18 -2.098 7.681 5.082 1.00 0.00 C ATOM 271 CG GLN A 18 -3.497 8.024 5.614 1.00 0.00 C ATOM 272 CD GLN A 18 -3.484 8.050 7.139 1.00 0.00 C ATOM 273 OE1 GLN A 18 -2.429 7.901 7.755 1.00 0.00 O ATOM 274 NE2 GLN A 18 -4.602 8.228 7.789 1.00 0.00 N ATOM 0 H GLN A 18 -2.882 5.518 4.126 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.900 8.086 3.132 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -1.708 6.804 5.599 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -1.411 8.502 5.286 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.814 8.993 5.228 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.220 7.288 5.261 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.476 8.351 7.277 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.602 8.244 8.809 1.00 0.00 H new ATOM 283 N SER A 19 0.071 6.681 2.921 1.00 0.00 N ATOM 284 CA SER A 19 1.378 6.853 2.291 1.00 0.00 C ATOM 285 C SER A 19 1.307 6.487 0.816 1.00 0.00 C ATOM 286 O SER A 19 1.898 7.167 -0.016 1.00 0.00 O ATOM 287 CB SER A 19 2.444 6.009 2.997 1.00 0.00 C ATOM 288 OG SER A 19 3.723 6.348 2.480 1.00 0.00 O ATOM 0 H SER A 19 -0.092 5.763 3.335 1.00 0.00 H new ATOM 0 HA SER A 19 1.661 7.902 2.380 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.414 6.187 4.072 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.246 4.948 2.844 1.00 0.00 H new ATOM 0 HG SER A 19 3.966 7.251 2.774 1.00 0.00 H new ATOM 294 N LEU A 20 0.570 5.433 0.476 1.00 0.00 N ATOM 295 CA LEU A 20 0.447 5.061 -0.930 1.00 0.00 C ATOM 296 C LEU A 20 -0.272 6.170 -1.691 1.00 0.00 C ATOM 297 O LEU A 20 0.226 6.662 -2.703 1.00 0.00 O ATOM 298 CB LEU A 20 -0.281 3.702 -1.047 1.00 0.00 C ATOM 299 CG LEU A 20 -1.143 3.580 -2.325 1.00 0.00 C ATOM 300 CD1 LEU A 20 -0.253 3.435 -3.561 1.00 0.00 C ATOM 301 CD2 LEU A 20 -2.030 2.339 -2.208 1.00 0.00 C ATOM 0 H LEU A 20 0.063 4.838 1.131 1.00 0.00 H new ATOM 0 HA LEU A 20 1.434 4.942 -1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.457 2.900 -1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.917 3.562 -0.173 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.751 4.479 -2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.877 3.350 -4.451 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.390 4.310 -3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.363 2.541 -3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.642 2.244 -3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.404 1.453 -2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.676 2.435 -1.336 1.00 0.00 H new ATOM 313 N VAL A 21 -1.436 6.577 -1.190 1.00 0.00 N ATOM 314 CA VAL A 21 -2.190 7.642 -1.837 1.00 0.00 C ATOM 315 C VAL A 21 -1.342 8.917 -1.862 1.00 0.00 C ATOM 316 O VAL A 21 -1.244 9.578 -2.894 1.00 0.00 O ATOM 317 CB VAL A 21 -3.536 7.877 -1.103 1.00 0.00 C ATOM 318 CG1 VAL A 21 -4.005 9.334 -1.241 1.00 0.00 C ATOM 319 CG2 VAL A 21 -4.607 6.952 -1.693 1.00 0.00 C ATOM 0 H VAL A 21 -1.870 6.191 -0.351 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.422 7.354 -2.862 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.384 7.661 -0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.951 9.463 -0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.257 9.999 -0.811 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.141 9.574 -2.296 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.553 7.116 -1.178 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.729 7.168 -2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.301 5.914 -1.567 1.00 0.00 H new ATOM 329 N HIS A 22 -0.717 9.256 -0.730 1.00 0.00 N ATOM 330 CA HIS A 22 0.116 10.457 -0.681 1.00 0.00 C ATOM 331 C HIS A 22 1.362 10.289 -1.546 1.00 0.00 C ATOM 332 O HIS A 22 1.677 11.149 -2.363 1.00 0.00 O ATOM 333 CB HIS A 22 0.519 10.787 0.758 1.00 0.00 C ATOM 334 CG HIS A 22 1.050 12.193 0.822 1.00 0.00 C ATOM 335 ND1 HIS A 22 0.254 13.287 0.522 1.00 0.00 N ATOM 336 CD2 HIS A 22 2.279 12.706 1.155 1.00 0.00 C ATOM 337 CE1 HIS A 22 1.005 14.392 0.681 1.00 0.00 C ATOM 338 NE2 HIS A 22 2.248 14.094 1.066 1.00 0.00 N ATOM 0 H HIS A 22 -0.770 8.730 0.142 1.00 0.00 H new ATOM 0 HA HIS A 22 -0.474 11.285 -1.074 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -0.340 10.681 1.421 1.00 0.00 H new ATOM 0 HB3 HIS A 22 1.277 10.085 1.104 1.00 0.00 H new ATOM 0 HD2 HIS A 22 3.140 12.121 1.443 1.00 0.00 H new ATOM 0 HE1 HIS A 22 0.646 15.397 0.517 1.00 0.00 H new ATOM 0 HE2 HIS A 22 3.011 14.744 1.254 1.00 0.00 H new ATOM 346 N ALA A 23 2.068 9.180 -1.362 1.00 0.00 N ATOM 347 CA ALA A 23 3.279 8.917 -2.138 1.00 0.00 C ATOM 348 C ALA A 23 2.964 8.773 -3.626 1.00 0.00 C ATOM 349 O ALA A 23 3.816 9.042 -4.475 1.00 0.00 O ATOM 350 CB ALA A 23 3.960 7.637 -1.650 1.00 0.00 C ATOM 0 H ALA A 23 1.828 8.452 -0.689 1.00 0.00 H new ATOM 0 HA ALA A 23 3.946 9.767 -1.997 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.860 7.456 -2.238 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.229 7.746 -0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.277 6.795 -1.764 1.00 0.00 H new ATOM 356 N ALA A 24 1.744 8.343 -3.943 1.00 0.00 N ATOM 357 CA ALA A 24 1.340 8.161 -5.335 1.00 0.00 C ATOM 358 C ALA A 24 0.715 9.432 -5.893 1.00 0.00 C ATOM 359 O ALA A 24 0.356 9.487 -7.061 1.00 0.00 O ATOM 360 CB ALA A 24 0.335 7.026 -5.427 1.00 0.00 C ATOM 0 H ALA A 24 1.022 8.115 -3.259 1.00 0.00 H new ATOM 0 HA ALA A 24 2.228 7.924 -5.922 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.034 6.890 -6.466 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.790 6.107 -5.058 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.541 7.265 -4.823 1.00 0.00 H new ATOM 366 N GLN A 25 0.593 10.443 -5.047 1.00 0.00 N ATOM 367 CA GLN A 25 0.023 11.728 -5.433 1.00 0.00 C ATOM 368 C GLN A 25 1.056 12.830 -5.255 1.00 0.00 C ATOM 369 O GLN A 25 1.092 13.792 -6.024 1.00 0.00 O ATOM 370 CB GLN A 25 -1.177 12.008 -4.535 1.00 0.00 C ATOM 371 CG GLN A 25 -2.307 11.023 -4.853 1.00 0.00 C ATOM 372 CD GLN A 25 -3.204 11.561 -5.947 1.00 0.00 C ATOM 373 OE1 GLN A 25 -3.758 10.717 -6.755 1.00 0.00 O flip ATOM 374 NE2 GLN A 25 -3.411 12.768 -6.063 1.00 0.00 N flip ATOM 0 H GLN A 25 0.886 10.397 -4.071 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.282 11.699 -6.479 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.888 11.918 -3.488 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.522 13.031 -4.683 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.885 10.067 -5.162 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.895 10.836 -3.954 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.969 13.425 -5.420 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.025 13.112 -6.802 1.00 0.00 H new ATOM 383 N CYS A 26 1.912 12.665 -4.255 1.00 0.00 N ATOM 384 CA CYS A 26 2.974 13.629 -4.001 1.00 0.00 C ATOM 385 C CYS A 26 4.287 13.085 -4.539 1.00 0.00 C ATOM 386 O CYS A 26 5.093 12.521 -3.799 1.00 0.00 O ATOM 387 CB CYS A 26 3.094 13.902 -2.503 1.00 0.00 C ATOM 388 SG CYS A 26 4.189 15.318 -2.233 1.00 0.00 S ATOM 0 H CYS A 26 1.892 11.876 -3.609 1.00 0.00 H new ATOM 0 HA CYS A 26 2.736 14.566 -4.505 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.110 14.104 -2.079 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.487 13.023 -1.993 1.00 0.00 H new ATOM 0 HG CYS A 26 4.290 15.552 -0.958 1.00 0.00 H new ATOM 394 N ARG A 27 4.485 13.259 -5.837 1.00 0.00 N ATOM 395 CA ARG A 27 5.693 12.789 -6.498 1.00 0.00 C ATOM 396 C ARG A 27 6.804 13.822 -6.309 1.00 0.00 C ATOM 397 O ARG A 27 7.473 14.236 -7.250 1.00 0.00 O ATOM 398 CB ARG A 27 5.361 12.550 -7.981 1.00 0.00 C ATOM 399 CG ARG A 27 6.618 12.215 -8.804 1.00 0.00 C ATOM 400 CD ARG A 27 7.367 11.034 -8.180 1.00 0.00 C ATOM 401 NE ARG A 27 8.299 10.471 -9.153 1.00 0.00 N ATOM 402 CZ ARG A 27 9.220 9.584 -8.793 1.00 0.00 C ATOM 403 NH1 ARG A 27 9.309 9.206 -7.547 1.00 0.00 N ATOM 404 NH2 ARG A 27 10.035 9.091 -9.685 1.00 0.00 N ATOM 0 H ARG A 27 3.821 13.725 -6.456 1.00 0.00 H new ATOM 0 HA ARG A 27 6.048 11.852 -6.069 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.644 11.734 -8.065 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.883 13.438 -8.394 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.336 11.974 -9.829 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.273 13.085 -8.850 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.908 11.362 -7.292 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.658 10.271 -7.858 1.00 0.00 H new ATOM 0 HE ARG A 27 8.242 10.765 -10.128 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.672 9.592 -6.850 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.016 8.525 -7.270 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.965 9.387 -10.659 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.742 8.410 -9.409 1.00 0.00 H new ATOM 418 N ASN A 28 6.986 14.250 -5.065 1.00 0.00 N ATOM 419 CA ASN A 28 8.009 15.238 -4.756 1.00 0.00 C ATOM 420 C ASN A 28 9.394 14.645 -4.980 1.00 0.00 C ATOM 421 O ASN A 28 10.278 15.303 -5.526 1.00 0.00 O ATOM 422 CB ASN A 28 7.879 15.693 -3.302 1.00 0.00 C ATOM 423 CG ASN A 28 8.886 16.800 -3.018 1.00 0.00 C ATOM 424 OD1 ASN A 28 9.937 16.552 -2.425 1.00 0.00 O ATOM 425 ND2 ASN A 28 8.624 18.017 -3.408 1.00 0.00 N ATOM 0 H ASN A 28 6.444 13.931 -4.262 1.00 0.00 H new ATOM 0 HA ASN A 28 7.874 16.096 -5.415 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.867 16.051 -3.112 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.050 14.851 -2.631 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.290 18.767 -3.222 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.753 18.219 -3.899 1.00 0.00 H new ATOM 432 N ALA A 29 9.559 13.401 -4.525 1.00 0.00 N ATOM 433 CA ALA A 29 10.822 12.662 -4.625 1.00 0.00 C ATOM 434 C ALA A 29 11.601 12.781 -3.319 1.00 0.00 C ATOM 435 O ALA A 29 12.102 11.790 -2.790 1.00 0.00 O ATOM 436 CB ALA A 29 11.682 13.162 -5.798 1.00 0.00 C ATOM 0 H ALA A 29 8.813 12.872 -4.072 1.00 0.00 H new ATOM 0 HA ALA A 29 10.581 11.615 -4.812 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.609 12.590 -5.839 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.134 13.033 -6.732 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.913 14.218 -5.656 1.00 0.00 H new ATOM 442 N ASN A 30 11.693 14.004 -2.806 1.00 0.00 N ATOM 443 CA ASN A 30 12.405 14.260 -1.557 1.00 0.00 C ATOM 444 C ASN A 30 11.428 14.280 -0.386 1.00 0.00 C ATOM 445 O ASN A 30 11.741 14.814 0.678 1.00 0.00 O ATOM 446 CB ASN A 30 13.126 15.607 -1.638 1.00 0.00 C ATOM 447 CG ASN A 30 14.266 15.531 -2.648 1.00 0.00 C ATOM 448 OD1 ASN A 30 14.673 14.439 -3.046 1.00 0.00 O ATOM 449 ND2 ASN A 30 14.812 16.632 -3.085 1.00 0.00 N ATOM 0 H ASN A 30 11.284 14.834 -3.235 1.00 0.00 H new ATOM 0 HA ASN A 30 13.133 13.464 -1.401 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.423 16.388 -1.929 1.00 0.00 H new ATOM 0 HB3 ASN A 30 13.516 15.879 -0.657 1.00 0.00 H new ATOM 0 HD21 ASN A 30 15.578 16.590 -3.758 1.00 0.00 H new ATOM 0 HD22 ASN A 30 14.473 17.535 -2.754 1.00 0.00 H new ATOM 456 N CYS A 31 10.237 13.715 -0.603 1.00 0.00 N ATOM 457 CA CYS A 31 9.193 13.681 0.425 1.00 0.00 C ATOM 458 C CYS A 31 9.793 13.591 1.831 1.00 0.00 C ATOM 459 O CYS A 31 10.756 12.857 2.054 1.00 0.00 O ATOM 460 CB CYS A 31 8.272 12.486 0.182 1.00 0.00 C ATOM 461 SG CYS A 31 6.769 12.680 1.171 1.00 0.00 S ATOM 0 H CYS A 31 9.971 13.274 -1.484 1.00 0.00 H new ATOM 0 HA CYS A 31 8.624 14.608 0.360 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.019 12.416 -0.876 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.780 11.560 0.450 1.00 0.00 H new ATOM 0 HG CYS A 31 5.991 11.655 0.984 1.00 0.00 H new ATOM 467 N SER A 32 9.236 14.359 2.769 1.00 0.00 N ATOM 468 CA SER A 32 9.744 14.373 4.139 1.00 0.00 C ATOM 469 C SER A 32 9.041 13.348 5.016 1.00 0.00 C ATOM 470 O SER A 32 9.257 13.321 6.225 1.00 0.00 O ATOM 471 CB SER A 32 9.564 15.755 4.753 1.00 0.00 C ATOM 472 OG SER A 32 8.207 16.158 4.621 1.00 0.00 O ATOM 0 H SER A 32 8.439 14.974 2.606 1.00 0.00 H new ATOM 0 HA SER A 32 10.803 14.117 4.091 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.849 15.737 5.805 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.218 16.473 4.258 1.00 0.00 H new ATOM 0 HG SER A 32 8.090 17.047 5.017 1.00 0.00 H new ATOM 478 N LEU A 33 8.219 12.497 4.412 1.00 0.00 N ATOM 479 CA LEU A 33 7.523 11.458 5.160 1.00 0.00 C ATOM 480 C LEU A 33 8.247 10.130 4.939 1.00 0.00 C ATOM 481 O LEU A 33 8.108 9.524 3.879 1.00 0.00 O ATOM 482 CB LEU A 33 6.062 11.368 4.690 1.00 0.00 C ATOM 483 CG LEU A 33 5.273 12.609 5.180 1.00 0.00 C ATOM 484 CD1 LEU A 33 4.429 13.196 4.043 1.00 0.00 C ATOM 485 CD2 LEU A 33 4.333 12.221 6.331 1.00 0.00 C ATOM 0 H LEU A 33 8.019 12.506 3.412 1.00 0.00 H new ATOM 0 HA LEU A 33 7.522 11.695 6.224 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.024 11.308 3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.602 10.458 5.076 1.00 0.00 H new ATOM 0 HG LEU A 33 5.996 13.350 5.521 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.883 14.066 4.407 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.081 13.494 3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.722 12.445 3.690 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.785 13.102 6.666 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.628 11.464 5.986 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.918 11.821 7.159 1.00 0.00 H new ATOM 497 N PRO A 34 9.045 9.670 5.881 1.00 0.00 N ATOM 498 CA PRO A 34 9.803 8.405 5.703 1.00 0.00 C ATOM 499 C PRO A 34 8.937 7.314 5.092 1.00 0.00 C ATOM 500 O PRO A 34 9.425 6.460 4.355 1.00 0.00 O ATOM 501 CB PRO A 34 10.248 8.046 7.124 1.00 0.00 C ATOM 502 CG PRO A 34 10.384 9.361 7.818 1.00 0.00 C ATOM 503 CD PRO A 34 9.320 10.279 7.200 1.00 0.00 C ATOM 0 HA PRO A 34 10.642 8.511 5.016 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.515 7.409 7.620 1.00 0.00 H new ATOM 0 HB3 PRO A 34 11.192 7.501 7.118 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.230 9.253 8.892 1.00 0.00 H new ATOM 0 HG3 PRO A 34 11.383 9.774 7.679 1.00 0.00 H new ATOM 0 HD2 PRO A 34 8.422 10.320 7.816 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.684 11.301 7.100 1.00 0.00 H new ATOM 511 N SER A 35 7.645 7.363 5.391 1.00 0.00 N ATOM 512 CA SER A 35 6.713 6.386 4.853 1.00 0.00 C ATOM 513 C SER A 35 6.584 6.557 3.344 1.00 0.00 C ATOM 514 O SER A 35 6.400 5.582 2.618 1.00 0.00 O ATOM 515 CB SER A 35 5.343 6.542 5.517 1.00 0.00 C ATOM 516 OG SER A 35 5.414 6.069 6.856 1.00 0.00 O ATOM 0 H SER A 35 7.223 8.065 5.999 1.00 0.00 H new ATOM 0 HA SER A 35 7.095 5.387 5.063 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.037 7.588 5.504 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.591 5.983 4.961 1.00 0.00 H new ATOM 0 HG SER A 35 4.539 6.169 7.285 1.00 0.00 H new ATOM 522 N CYS A 36 6.685 7.795 2.870 1.00 0.00 N ATOM 523 CA CYS A 36 6.583 8.044 1.434 1.00 0.00 C ATOM 524 C CYS A 36 7.823 7.531 0.711 1.00 0.00 C ATOM 525 O CYS A 36 7.723 6.740 -0.226 1.00 0.00 O ATOM 526 CB CYS A 36 6.412 9.540 1.167 1.00 0.00 C ATOM 527 SG CYS A 36 4.654 9.965 1.210 1.00 0.00 S ATOM 0 H CYS A 36 6.834 8.625 3.443 1.00 0.00 H new ATOM 0 HA CYS A 36 5.710 7.511 1.056 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.955 10.118 1.915 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.835 9.797 0.196 1.00 0.00 H new ATOM 0 HG CYS A 36 4.404 10.868 0.309 1.00 0.00 H new ATOM 533 N GLN A 37 8.989 7.995 1.143 1.00 0.00 N ATOM 534 CA GLN A 37 10.237 7.592 0.522 1.00 0.00 C ATOM 535 C GLN A 37 10.335 6.089 0.424 1.00 0.00 C ATOM 536 O GLN A 37 10.853 5.552 -0.553 1.00 0.00 O ATOM 537 CB GLN A 37 11.413 8.082 1.357 1.00 0.00 C ATOM 538 CG GLN A 37 11.400 9.611 1.408 1.00 0.00 C ATOM 539 CD GLN A 37 12.658 10.125 2.097 1.00 0.00 C ATOM 540 OE1 GLN A 37 12.879 9.849 3.277 1.00 0.00 O ATOM 541 NE2 GLN A 37 13.500 10.865 1.429 1.00 0.00 N ATOM 0 H GLN A 37 9.093 8.649 1.919 1.00 0.00 H new ATOM 0 HA GLN A 37 10.262 8.027 -0.477 1.00 0.00 H new ATOM 0 HB2 GLN A 37 11.352 7.673 2.366 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.350 7.730 0.926 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.339 10.015 0.398 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.516 9.957 1.944 1.00 0.00 H new ATOM 0 HE21 GLN A 37 13.315 11.092 0.452 1.00 0.00 H new ATOM 0 HE22 GLN A 37 14.343 11.216 1.884 1.00 0.00 H new ATOM 550 N LYS A 38 9.841 5.413 1.446 1.00 0.00 N ATOM 551 CA LYS A 38 9.888 3.972 1.469 1.00 0.00 C ATOM 552 C LYS A 38 8.793 3.418 0.559 1.00 0.00 C ATOM 553 O LYS A 38 8.957 2.357 -0.045 1.00 0.00 O ATOM 554 CB LYS A 38 9.795 3.475 2.938 1.00 0.00 C ATOM 555 CG LYS A 38 8.896 2.233 3.083 1.00 0.00 C ATOM 556 CD LYS A 38 7.453 2.702 3.266 1.00 0.00 C ATOM 557 CE LYS A 38 6.494 1.516 3.177 1.00 0.00 C ATOM 558 NZ LYS A 38 5.123 1.967 3.552 1.00 0.00 N ATOM 0 H LYS A 38 9.406 5.841 2.264 1.00 0.00 H new ATOM 0 HA LYS A 38 10.835 3.601 1.078 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.795 3.241 3.303 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.406 4.277 3.566 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.980 1.599 2.200 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.211 1.634 3.937 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.344 3.195 4.232 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.203 3.438 2.502 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.492 1.109 2.166 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.822 0.717 3.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.787 1.416 4.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.146 2.976 3.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.478 1.823 2.749 1.00 0.00 H new ATOM 572 N MET A 39 7.687 4.156 0.430 1.00 0.00 N ATOM 573 CA MET A 39 6.610 3.719 -0.447 1.00 0.00 C ATOM 574 C MET A 39 7.001 3.990 -1.886 1.00 0.00 C ATOM 575 O MET A 39 6.672 3.221 -2.784 1.00 0.00 O ATOM 576 CB MET A 39 5.279 4.415 -0.119 1.00 0.00 C ATOM 577 CG MET A 39 4.500 3.654 0.968 1.00 0.00 C ATOM 578 SD MET A 39 4.264 1.914 0.502 1.00 0.00 S ATOM 579 CE MET A 39 3.328 2.191 -1.022 1.00 0.00 C ATOM 0 H MET A 39 7.520 5.039 0.912 1.00 0.00 H new ATOM 0 HA MET A 39 6.459 2.651 -0.294 1.00 0.00 H new ATOM 0 HB2 MET A 39 5.473 5.434 0.216 1.00 0.00 H new ATOM 0 HB3 MET A 39 4.672 4.486 -1.021 1.00 0.00 H new ATOM 0 HG2 MET A 39 5.039 3.711 1.914 1.00 0.00 H new ATOM 0 HG3 MET A 39 3.531 4.127 1.124 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.623 1.373 -1.170 1.00 0.00 H new ATOM 0 HE2 MET A 39 2.782 3.132 -0.948 1.00 0.00 H new ATOM 0 HE3 MET A 39 4.014 2.235 -1.868 1.00 0.00 H new ATOM 589 N LYS A 40 7.746 5.063 -2.107 1.00 0.00 N ATOM 590 CA LYS A 40 8.199 5.343 -3.452 1.00 0.00 C ATOM 591 C LYS A 40 9.146 4.240 -3.834 1.00 0.00 C ATOM 592 O LYS A 40 9.086 3.694 -4.922 1.00 0.00 O ATOM 593 CB LYS A 40 8.886 6.700 -3.548 1.00 0.00 C ATOM 594 CG LYS A 40 7.841 7.797 -3.352 1.00 0.00 C ATOM 595 CD LYS A 40 8.504 9.166 -3.452 1.00 0.00 C ATOM 596 CE LYS A 40 7.460 10.245 -3.176 1.00 0.00 C ATOM 597 NZ LYS A 40 8.109 11.580 -3.229 1.00 0.00 N ATOM 0 H LYS A 40 8.040 5.732 -1.395 1.00 0.00 H new ATOM 0 HA LYS A 40 7.348 5.384 -4.131 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.666 6.782 -2.791 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.371 6.810 -4.518 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.059 7.706 -4.106 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.361 7.685 -2.380 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.322 9.241 -2.735 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.935 9.304 -4.444 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.658 10.188 -3.912 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.006 10.087 -2.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.421 12.311 -2.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.914 11.601 -2.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.447 11.763 -4.195 1.00 0.00 H new ATOM 611 N ARG A 41 9.973 3.871 -2.882 1.00 0.00 N ATOM 612 CA ARG A 41 10.901 2.784 -3.072 1.00 0.00 C ATOM 613 C ARG A 41 10.117 1.563 -3.534 1.00 0.00 C ATOM 614 O ARG A 41 10.574 0.811 -4.376 1.00 0.00 O ATOM 615 CB ARG A 41 11.602 2.503 -1.737 1.00 0.00 C ATOM 616 CG ARG A 41 13.026 1.999 -1.982 1.00 0.00 C ATOM 617 CD ARG A 41 13.730 1.781 -0.644 1.00 0.00 C ATOM 618 NE ARG A 41 14.020 3.062 -0.003 1.00 0.00 N ATOM 619 CZ ARG A 41 15.100 3.770 -0.332 1.00 0.00 C ATOM 620 NH1 ARG A 41 15.913 3.332 -1.254 1.00 0.00 N ATOM 621 NH2 ARG A 41 15.345 4.903 0.268 1.00 0.00 N ATOM 0 H ARG A 41 10.020 4.312 -1.964 1.00 0.00 H new ATOM 0 HA ARG A 41 11.653 3.032 -3.821 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.629 3.411 -1.134 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.038 1.761 -1.171 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.001 1.067 -2.547 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.580 2.721 -2.582 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.102 1.175 0.009 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.656 1.228 -0.800 1.00 0.00 H new ATOM 0 HE ARG A 41 13.384 3.421 0.709 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.722 2.447 -1.724 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.739 3.875 -1.505 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.710 5.246 0.989 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.172 5.445 0.016 1.00 0.00 H new ATOM 635 N VAL A 42 8.921 1.409 -2.968 1.00 0.00 N ATOM 636 CA VAL A 42 8.024 0.306 -3.306 1.00 0.00 C ATOM 637 C VAL A 42 7.371 0.529 -4.675 1.00 0.00 C ATOM 638 O VAL A 42 7.349 -0.373 -5.510 1.00 0.00 O ATOM 639 CB VAL A 42 6.939 0.168 -2.218 1.00 0.00 C ATOM 640 CG1 VAL A 42 5.834 -0.790 -2.685 1.00 0.00 C ATOM 641 CG2 VAL A 42 7.579 -0.365 -0.926 1.00 0.00 C ATOM 0 H VAL A 42 8.547 2.045 -2.263 1.00 0.00 H new ATOM 0 HA VAL A 42 8.608 -0.613 -3.355 1.00 0.00 H new ATOM 0 HB VAL A 42 6.495 1.146 -2.031 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.076 -0.877 -1.907 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.377 -0.402 -3.595 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.264 -1.772 -2.885 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.815 -0.464 -0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.029 -1.339 -1.118 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.348 0.329 -0.588 1.00 0.00 H new ATOM 651 N VAL A 43 6.844 1.733 -4.900 1.00 0.00 N ATOM 652 CA VAL A 43 6.203 2.048 -6.173 1.00 0.00 C ATOM 653 C VAL A 43 7.259 2.202 -7.263 1.00 0.00 C ATOM 654 O VAL A 43 7.187 1.566 -8.314 1.00 0.00 O ATOM 655 CB VAL A 43 5.380 3.333 -6.054 1.00 0.00 C ATOM 656 CG1 VAL A 43 4.749 3.667 -7.410 1.00 0.00 C ATOM 657 CG2 VAL A 43 4.270 3.127 -5.020 1.00 0.00 C ATOM 0 H VAL A 43 6.849 2.497 -4.224 1.00 0.00 H new ATOM 0 HA VAL A 43 5.533 1.230 -6.439 1.00 0.00 H new ATOM 0 HB VAL A 43 6.029 4.152 -5.743 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.163 4.582 -7.323 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.535 3.808 -8.152 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.099 2.849 -7.720 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.681 4.040 -4.932 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.625 2.308 -5.337 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.713 2.886 -4.054 1.00 0.00 H new ATOM 667 N GLN A 44 8.251 3.039 -6.992 1.00 0.00 N ATOM 668 CA GLN A 44 9.336 3.260 -7.932 1.00 0.00 C ATOM 669 C GLN A 44 9.946 1.921 -8.334 1.00 0.00 C ATOM 670 O GLN A 44 10.345 1.738 -9.484 1.00 0.00 O ATOM 671 CB GLN A 44 10.404 4.170 -7.302 1.00 0.00 C ATOM 672 CG GLN A 44 9.810 5.553 -7.031 1.00 0.00 C ATOM 673 CD GLN A 44 9.509 6.262 -8.347 1.00 0.00 C ATOM 674 OE1 GLN A 44 10.392 6.393 -9.197 1.00 0.00 O ATOM 675 NE2 GLN A 44 8.311 6.727 -8.571 1.00 0.00 N ATOM 0 H GLN A 44 8.325 3.576 -6.128 1.00 0.00 H new ATOM 0 HA GLN A 44 8.946 3.752 -8.823 1.00 0.00 H new ATOM 0 HB2 GLN A 44 10.767 3.731 -6.373 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.261 4.257 -7.970 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.897 5.456 -6.444 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.507 6.147 -6.440 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.582 6.618 -7.866 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.104 7.200 -9.451 1.00 0.00 H new ATOM 684 N HIS A 45 9.992 0.970 -7.392 1.00 0.00 N ATOM 685 CA HIS A 45 10.526 -0.355 -7.688 1.00 0.00 C ATOM 686 C HIS A 45 9.459 -1.214 -8.358 1.00 0.00 C ATOM 687 O HIS A 45 9.770 -2.074 -9.182 1.00 0.00 O ATOM 688 CB HIS A 45 10.988 -1.014 -6.384 1.00 0.00 C ATOM 689 CG HIS A 45 10.801 -2.504 -6.437 1.00 0.00 C ATOM 690 ND1 HIS A 45 11.550 -3.331 -7.259 1.00 0.00 N ATOM 691 CD2 HIS A 45 9.916 -3.322 -5.783 1.00 0.00 C ATOM 692 CE1 HIS A 45 11.103 -4.584 -7.078 1.00 0.00 C ATOM 693 NE2 HIS A 45 10.107 -4.631 -6.191 1.00 0.00 N ATOM 0 H HIS A 45 9.669 1.095 -6.433 1.00 0.00 H new ATOM 0 HA HIS A 45 11.372 -0.261 -8.368 1.00 0.00 H new ATOM 0 HB2 HIS A 45 12.038 -0.782 -6.208 1.00 0.00 H new ATOM 0 HB3 HIS A 45 10.425 -0.603 -5.546 1.00 0.00 H new ATOM 0 HD1 HIS A 45 12.301 -3.042 -7.885 1.00 0.00 H new ATOM 0 HD2 HIS A 45 9.183 -2.995 -5.061 1.00 0.00 H new ATOM 0 HE1 HIS A 45 11.501 -5.449 -7.588 1.00 0.00 H new ATOM 701 N THR A 46 8.204 -0.995 -7.985 1.00 0.00 N ATOM 702 CA THR A 46 7.122 -1.788 -8.554 1.00 0.00 C ATOM 703 C THR A 46 7.125 -1.695 -10.066 1.00 0.00 C ATOM 704 O THR A 46 7.017 -2.711 -10.755 1.00 0.00 O ATOM 705 CB THR A 46 5.772 -1.310 -7.993 1.00 0.00 C ATOM 706 OG1 THR A 46 5.626 -1.780 -6.660 1.00 0.00 O ATOM 707 CG2 THR A 46 4.587 -1.814 -8.840 1.00 0.00 C ATOM 0 H THR A 46 7.914 -0.291 -7.306 1.00 0.00 H new ATOM 0 HA THR A 46 7.274 -2.831 -8.277 1.00 0.00 H new ATOM 0 HB THR A 46 5.765 -0.220 -8.020 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.998 -1.121 -6.038 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.653 -1.454 -8.409 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.684 -1.441 -9.860 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.585 -2.904 -8.851 1.00 0.00 H new ATOM 715 N LYS A 47 7.236 -0.489 -10.590 1.00 0.00 N ATOM 716 CA LYS A 47 7.234 -0.327 -12.033 1.00 0.00 C ATOM 717 C LYS A 47 8.576 -0.737 -12.629 1.00 0.00 C ATOM 718 O LYS A 47 8.626 -1.322 -13.710 1.00 0.00 O ATOM 719 CB LYS A 47 6.916 1.118 -12.408 1.00 0.00 C ATOM 720 CG LYS A 47 5.500 1.475 -11.940 1.00 0.00 C ATOM 721 CD LYS A 47 5.047 2.778 -12.604 1.00 0.00 C ATOM 722 CE LYS A 47 5.897 3.946 -12.100 1.00 0.00 C ATOM 723 NZ LYS A 47 5.275 5.229 -12.528 1.00 0.00 N ATOM 0 H LYS A 47 7.327 0.374 -10.054 1.00 0.00 H new ATOM 0 HA LYS A 47 6.461 -0.977 -12.443 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.641 1.791 -11.950 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.997 1.250 -13.487 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.810 0.669 -12.191 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.482 1.583 -10.856 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.136 2.694 -13.687 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.995 2.961 -12.384 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.975 3.911 -11.013 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.910 3.870 -12.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.007 5.965 -12.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.825 5.104 -13.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.558 5.517 -11.832 1.00 0.00 H new ATOM 737 N GLY A 48 9.663 -0.432 -11.925 1.00 0.00 N ATOM 738 CA GLY A 48 10.991 -0.786 -12.414 1.00 0.00 C ATOM 739 C GLY A 48 11.025 -2.238 -12.879 1.00 0.00 C ATOM 740 O GLY A 48 11.894 -2.631 -13.658 1.00 0.00 O ATOM 0 H GLY A 48 9.652 0.052 -11.027 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.268 -0.128 -13.238 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.727 -0.634 -11.624 1.00 0.00 H new ATOM 744 N CYS A 49 10.064 -3.028 -12.397 1.00 0.00 N ATOM 745 CA CYS A 49 9.975 -4.443 -12.763 1.00 0.00 C ATOM 746 C CYS A 49 8.730 -4.718 -13.609 1.00 0.00 C ATOM 747 O CYS A 49 7.626 -4.297 -13.260 1.00 0.00 O ATOM 748 CB CYS A 49 9.928 -5.282 -11.494 1.00 0.00 C ATOM 749 SG CYS A 49 10.277 -7.012 -11.901 1.00 0.00 S ATOM 0 H CYS A 49 9.338 -2.713 -11.754 1.00 0.00 H new ATOM 0 HA CYS A 49 10.851 -4.706 -13.356 1.00 0.00 H new ATOM 0 HB2 CYS A 49 10.658 -4.912 -10.774 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.947 -5.198 -11.026 1.00 0.00 H new ATOM 0 HG CYS A 49 10.054 -7.757 -10.859 1.00 0.00 H new ATOM 755 N LYS A 50 8.910 -5.445 -14.712 1.00 0.00 N ATOM 756 CA LYS A 50 7.796 -5.788 -15.593 1.00 0.00 C ATOM 757 C LYS A 50 7.107 -7.065 -15.118 1.00 0.00 C ATOM 758 O LYS A 50 5.896 -7.220 -15.275 1.00 0.00 O ATOM 759 CB LYS A 50 8.308 -5.975 -17.027 1.00 0.00 C ATOM 760 CG LYS A 50 8.913 -4.661 -17.553 1.00 0.00 C ATOM 761 CD LYS A 50 7.800 -3.704 -18.001 1.00 0.00 C ATOM 762 CE LYS A 50 8.423 -2.417 -18.543 1.00 0.00 C ATOM 763 NZ LYS A 50 7.341 -1.499 -18.997 1.00 0.00 N ATOM 0 H LYS A 50 9.814 -5.806 -15.015 1.00 0.00 H new ATOM 0 HA LYS A 50 7.071 -4.974 -15.570 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.059 -6.765 -17.052 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.490 -6.292 -17.674 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.514 -4.192 -16.774 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.581 -4.869 -18.389 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.187 -4.176 -18.769 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.141 -3.477 -17.163 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.023 -1.936 -17.770 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.094 -2.645 -19.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.762 -0.622 -19.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.787 -1.960 -19.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.718 -1.273 -18.195 1.00 0.00 H new ATOM 777 N ARG A 51 7.880 -7.971 -14.525 1.00 0.00 N ATOM 778 CA ARG A 51 7.324 -9.220 -14.018 1.00 0.00 C ATOM 779 C ARG A 51 6.528 -8.962 -12.748 1.00 0.00 C ATOM 780 O ARG A 51 5.414 -9.460 -12.586 1.00 0.00 O ATOM 781 CB ARG A 51 8.456 -10.219 -13.726 1.00 0.00 C ATOM 782 CG ARG A 51 7.896 -11.488 -13.038 1.00 0.00 C ATOM 783 CD ARG A 51 8.168 -11.441 -11.526 1.00 0.00 C ATOM 784 NE ARG A 51 9.605 -11.408 -11.273 1.00 0.00 N ATOM 785 CZ ARG A 51 10.344 -12.510 -11.361 1.00 0.00 C ATOM 786 NH1 ARG A 51 9.788 -13.642 -11.690 1.00 0.00 N ATOM 787 NH2 ARG A 51 11.627 -12.458 -11.121 1.00 0.00 N ATOM 0 H ARG A 51 8.885 -7.864 -14.385 1.00 0.00 H new ATOM 0 HA ARG A 51 6.661 -9.640 -14.774 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.956 -10.493 -14.655 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.205 -9.752 -13.086 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.824 -11.565 -13.219 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.356 -12.377 -13.469 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.695 -10.561 -11.091 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.726 -12.312 -11.042 1.00 0.00 H new ATOM 0 HE ARG A 51 10.050 -10.525 -11.024 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.787 -13.682 -11.880 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.354 -14.488 -11.758 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.063 -11.572 -10.866 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.193 -13.304 -11.189 1.00 0.00 H new ATOM 801 N LYS A 52 7.113 -8.178 -11.848 1.00 0.00 N ATOM 802 CA LYS A 52 6.461 -7.856 -10.590 1.00 0.00 C ATOM 803 C LYS A 52 5.282 -6.918 -10.827 1.00 0.00 C ATOM 804 O LYS A 52 4.292 -6.960 -10.099 1.00 0.00 O ATOM 805 CB LYS A 52 7.488 -7.254 -9.606 1.00 0.00 C ATOM 806 CG LYS A 52 6.836 -6.206 -8.686 1.00 0.00 C ATOM 807 CD LYS A 52 7.808 -5.824 -7.550 1.00 0.00 C ATOM 808 CE LYS A 52 7.065 -5.110 -6.402 1.00 0.00 C ATOM 809 NZ LYS A 52 7.808 -5.317 -5.127 1.00 0.00 N ATOM 0 H LYS A 52 8.034 -7.757 -11.968 1.00 0.00 H new ATOM 0 HA LYS A 52 6.065 -8.768 -10.143 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.925 -8.049 -9.002 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.303 -6.794 -10.165 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.570 -5.320 -9.262 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.911 -6.603 -8.267 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.298 -6.720 -7.169 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.591 -5.174 -7.940 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.979 -4.045 -6.617 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.051 -5.500 -6.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.502 -4.611 -4.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.613 -6.271 -4.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.828 -5.214 -5.299 1.00 0.00 H new ATOM 823 N THR A 53 5.388 -6.072 -11.844 1.00 0.00 N ATOM 824 CA THR A 53 4.310 -5.138 -12.139 1.00 0.00 C ATOM 825 C THR A 53 3.049 -5.893 -12.547 1.00 0.00 C ATOM 826 O THR A 53 1.940 -5.369 -12.443 1.00 0.00 O ATOM 827 CB THR A 53 4.741 -4.158 -13.248 1.00 0.00 C ATOM 828 OG1 THR A 53 5.553 -3.143 -12.679 1.00 0.00 O ATOM 829 CG2 THR A 53 3.522 -3.510 -13.930 1.00 0.00 C ATOM 0 H THR A 53 6.193 -6.013 -12.467 1.00 0.00 H new ATOM 0 HA THR A 53 4.089 -4.564 -11.239 1.00 0.00 H new ATOM 0 HB THR A 53 5.297 -4.715 -14.002 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.342 -3.550 -12.263 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.861 -2.825 -14.707 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.900 -4.286 -14.377 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.941 -2.960 -13.190 1.00 0.00 H new ATOM 837 N ASN A 54 3.225 -7.127 -13.002 1.00 0.00 N ATOM 838 CA ASN A 54 2.093 -7.943 -13.417 1.00 0.00 C ATOM 839 C ASN A 54 1.453 -8.608 -12.204 1.00 0.00 C ATOM 840 O ASN A 54 0.501 -9.375 -12.343 1.00 0.00 O ATOM 841 CB ASN A 54 2.560 -9.026 -14.393 1.00 0.00 C ATOM 842 CG ASN A 54 3.082 -8.385 -15.672 1.00 0.00 C ATOM 843 OD1 ASN A 54 2.690 -7.270 -16.017 1.00 0.00 O ATOM 844 ND2 ASN A 54 3.951 -9.029 -16.402 1.00 0.00 N ATOM 0 H ASN A 54 4.134 -7.581 -13.092 1.00 0.00 H new ATOM 0 HA ASN A 54 1.362 -7.299 -13.906 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.343 -9.629 -13.933 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.734 -9.699 -14.625 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.307 -8.609 -17.261 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.274 -9.953 -16.114 1.00 0.00 H new ATOM 851 N GLY A 55 1.994 -8.329 -11.014 1.00 0.00 N ATOM 852 CA GLY A 55 1.472 -8.933 -9.786 1.00 0.00 C ATOM 853 C GLY A 55 2.419 -10.015 -9.290 1.00 0.00 C ATOM 854 O GLY A 55 2.187 -10.636 -8.254 1.00 0.00 O ATOM 0 H GLY A 55 2.783 -7.697 -10.876 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.349 -8.168 -9.020 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.486 -9.359 -9.972 1.00 0.00 H new ATOM 858 N GLY A 56 3.481 -10.250 -10.054 1.00 0.00 N ATOM 859 CA GLY A 56 4.455 -11.275 -9.705 1.00 0.00 C ATOM 860 C GLY A 56 4.781 -11.251 -8.215 1.00 0.00 C ATOM 861 O GLY A 56 4.794 -12.291 -7.557 1.00 0.00 O ATOM 0 H GLY A 56 3.688 -9.746 -10.916 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.066 -12.256 -9.978 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.368 -11.122 -10.281 1.00 0.00 H new ATOM 865 N CYS A 57 5.075 -10.062 -7.695 1.00 0.00 N ATOM 866 CA CYS A 57 5.433 -9.907 -6.303 1.00 0.00 C ATOM 867 C CYS A 57 4.210 -9.744 -5.410 1.00 0.00 C ATOM 868 O CYS A 57 3.318 -8.959 -5.727 1.00 0.00 O ATOM 869 CB CYS A 57 6.286 -8.655 -6.155 1.00 0.00 C ATOM 870 SG CYS A 57 7.225 -8.749 -4.617 1.00 0.00 S ATOM 0 H CYS A 57 5.070 -9.192 -8.227 1.00 0.00 H new ATOM 0 HA CYS A 57 5.969 -10.806 -5.998 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.964 -8.561 -7.003 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.653 -7.768 -6.154 1.00 0.00 H new ATOM 0 HG CYS A 57 7.992 -9.798 -4.640 1.00 0.00 H new ATOM 876 N PRO A 58 4.170 -10.391 -4.274 1.00 0.00 N ATOM 877 CA PRO A 58 3.047 -10.201 -3.322 1.00 0.00 C ATOM 878 C PRO A 58 2.814 -8.709 -3.089 1.00 0.00 C ATOM 879 O PRO A 58 1.699 -8.278 -2.798 1.00 0.00 O ATOM 880 CB PRO A 58 3.534 -10.897 -2.045 1.00 0.00 C ATOM 881 CG PRO A 58 4.490 -11.941 -2.522 1.00 0.00 C ATOM 882 CD PRO A 58 5.151 -11.374 -3.778 1.00 0.00 C ATOM 0 HA PRO A 58 2.099 -10.607 -3.676 1.00 0.00 H new ATOM 0 HB2 PRO A 58 4.021 -10.192 -1.371 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.704 -11.342 -1.495 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.234 -12.165 -1.758 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.970 -12.873 -2.743 1.00 0.00 H new ATOM 0 HD2 PRO A 58 6.108 -10.905 -3.550 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.345 -12.153 -4.515 1.00 0.00 H new ATOM 890 N ILE A 59 3.880 -7.927 -3.262 1.00 0.00 N ATOM 891 CA ILE A 59 3.788 -6.485 -3.113 1.00 0.00 C ATOM 892 C ILE A 59 2.919 -5.918 -4.217 1.00 0.00 C ATOM 893 O ILE A 59 2.045 -5.099 -3.962 1.00 0.00 O ATOM 894 CB ILE A 59 5.189 -5.836 -3.149 1.00 0.00 C ATOM 895 CG1 ILE A 59 5.924 -6.149 -1.846 1.00 0.00 C ATOM 896 CG2 ILE A 59 5.077 -4.314 -3.320 1.00 0.00 C ATOM 897 CD1 ILE A 59 7.385 -5.688 -1.946 1.00 0.00 C ATOM 0 H ILE A 59 4.809 -8.271 -3.504 1.00 0.00 H new ATOM 0 HA ILE A 59 3.339 -6.261 -2.146 1.00 0.00 H new ATOM 0 HB ILE A 59 5.742 -6.242 -3.996 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.432 -5.649 -1.012 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.884 -7.219 -1.644 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.075 -3.876 -3.343 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.561 -4.090 -4.253 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.516 -3.894 -2.485 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.903 -5.914 -1.014 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.875 -6.208 -2.769 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.416 -4.614 -2.127 1.00 0.00 H new ATOM 909 N CYS A 60 3.147 -6.363 -5.448 1.00 0.00 N ATOM 910 CA CYS A 60 2.352 -5.868 -6.551 1.00 0.00 C ATOM 911 C CYS A 60 0.980 -6.517 -6.522 1.00 0.00 C ATOM 912 O CYS A 60 -0.035 -5.855 -6.725 1.00 0.00 O ATOM 913 CB CYS A 60 3.056 -6.121 -7.889 1.00 0.00 C ATOM 914 SG CYS A 60 4.182 -4.751 -8.212 1.00 0.00 S ATOM 0 H CYS A 60 3.859 -7.049 -5.698 1.00 0.00 H new ATOM 0 HA CYS A 60 2.231 -4.790 -6.446 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.605 -7.062 -7.856 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.324 -6.207 -8.692 1.00 0.00 H new ATOM 0 HG CYS A 60 4.441 -4.131 -7.099 1.00 0.00 H new ATOM 920 N LYS A 61 0.950 -7.806 -6.236 1.00 0.00 N ATOM 921 CA LYS A 61 -0.327 -8.501 -6.162 1.00 0.00 C ATOM 922 C LYS A 61 -1.191 -7.873 -5.071 1.00 0.00 C ATOM 923 O LYS A 61 -2.364 -7.565 -5.288 1.00 0.00 O ATOM 924 CB LYS A 61 -0.102 -9.983 -5.864 1.00 0.00 C ATOM 925 CG LYS A 61 -1.330 -10.780 -6.306 1.00 0.00 C ATOM 926 CD LYS A 61 -1.180 -12.237 -5.874 1.00 0.00 C ATOM 927 CE LYS A 61 -0.016 -12.895 -6.623 1.00 0.00 C ATOM 928 NZ LYS A 61 -0.141 -14.375 -6.525 1.00 0.00 N ATOM 0 H LYS A 61 1.771 -8.383 -6.055 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.839 -8.411 -7.120 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.785 -10.340 -6.387 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.076 -10.128 -4.799 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.231 -10.351 -5.867 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.443 -10.721 -7.388 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.006 -12.289 -4.799 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.104 -12.780 -6.074 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.021 -12.587 -7.668 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.934 -12.570 -6.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.648 -14.824 -7.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.117 -14.660 -5.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.042 -14.676 -6.949 1.00 0.00 H new ATOM 942 N GLN A 62 -0.591 -7.676 -3.901 1.00 0.00 N ATOM 943 CA GLN A 62 -1.302 -7.074 -2.781 1.00 0.00 C ATOM 944 C GLN A 62 -1.612 -5.605 -3.064 1.00 0.00 C ATOM 945 O GLN A 62 -2.705 -5.126 -2.757 1.00 0.00 O ATOM 946 CB GLN A 62 -0.462 -7.189 -1.505 1.00 0.00 C ATOM 947 CG GLN A 62 -1.265 -6.677 -0.307 1.00 0.00 C ATOM 948 CD GLN A 62 -0.478 -6.904 0.979 1.00 0.00 C ATOM 949 OE1 GLN A 62 0.456 -7.706 1.003 1.00 0.00 O ATOM 950 NE2 GLN A 62 -0.799 -6.242 2.057 1.00 0.00 N ATOM 0 H GLN A 62 0.379 -7.923 -3.706 1.00 0.00 H new ATOM 0 HA GLN A 62 -2.242 -7.608 -2.644 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.171 -8.227 -1.343 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.457 -6.613 -1.611 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.481 -5.616 -0.429 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -2.224 -7.193 -0.253 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.573 -5.578 2.036 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.276 -6.389 2.920 1.00 0.00 H new ATOM 959 N LEU A 63 -0.647 -4.889 -3.645 1.00 0.00 N ATOM 960 CA LEU A 63 -0.848 -3.474 -3.951 1.00 0.00 C ATOM 961 C LEU A 63 -1.954 -3.306 -4.986 1.00 0.00 C ATOM 962 O LEU A 63 -2.808 -2.430 -4.853 1.00 0.00 O ATOM 963 CB LEU A 63 0.452 -2.842 -4.459 1.00 0.00 C ATOM 964 CG LEU A 63 0.281 -1.323 -4.624 1.00 0.00 C ATOM 965 CD1 LEU A 63 0.030 -0.650 -3.259 1.00 0.00 C ATOM 966 CD2 LEU A 63 1.556 -0.748 -5.257 1.00 0.00 C ATOM 0 H LEU A 63 0.266 -5.259 -3.909 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.146 -2.965 -3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.262 -3.049 -3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.732 -3.289 -5.413 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.579 -1.127 -5.264 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.088 0.424 -3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.876 -1.059 -2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.877 -0.839 -2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.447 0.330 -5.379 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.409 -0.956 -4.611 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.719 -1.209 -6.231 1.00 0.00 H new ATOM 978 N ILE A 64 -1.951 -4.161 -6.005 1.00 0.00 N ATOM 979 CA ILE A 64 -2.979 -4.099 -7.033 1.00 0.00 C ATOM 980 C ILE A 64 -4.349 -4.263 -6.379 1.00 0.00 C ATOM 981 O ILE A 64 -5.305 -3.576 -6.735 1.00 0.00 O ATOM 982 CB ILE A 64 -2.731 -5.198 -8.083 1.00 0.00 C ATOM 983 CG1 ILE A 64 -1.543 -4.791 -8.970 1.00 0.00 C ATOM 984 CG2 ILE A 64 -3.976 -5.394 -8.959 1.00 0.00 C ATOM 985 CD1 ILE A 64 -1.078 -5.992 -9.797 1.00 0.00 C ATOM 0 H ILE A 64 -1.256 -4.896 -6.138 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.946 -3.134 -7.539 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.511 -6.134 -7.570 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.833 -3.974 -9.630 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.724 -4.425 -8.351 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.783 -6.174 -9.696 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.819 -5.686 -8.333 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.211 -4.461 -9.472 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.236 -5.698 -10.424 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.770 -6.796 -9.129 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.897 -6.338 -10.428 1.00 0.00 H new ATOM 997 N ALA A 65 -4.430 -5.164 -5.406 1.00 0.00 N ATOM 998 CA ALA A 65 -5.679 -5.388 -4.690 1.00 0.00 C ATOM 999 C ALA A 65 -6.004 -4.179 -3.823 1.00 0.00 C ATOM 1000 O ALA A 65 -7.113 -3.651 -3.867 1.00 0.00 O ATOM 1001 CB ALA A 65 -5.572 -6.634 -3.810 1.00 0.00 C ATOM 0 H ALA A 65 -3.652 -5.747 -5.097 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.476 -5.536 -5.419 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.513 -6.788 -3.282 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.359 -7.503 -4.433 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.767 -6.501 -3.087 1.00 0.00 H new ATOM 1007 N LEU A 66 -5.016 -3.717 -3.061 1.00 0.00 N ATOM 1008 CA LEU A 66 -5.212 -2.542 -2.222 1.00 0.00 C ATOM 1009 C LEU A 66 -5.651 -1.395 -3.117 1.00 0.00 C ATOM 1010 O LEU A 66 -6.538 -0.611 -2.776 1.00 0.00 O ATOM 1011 CB LEU A 66 -3.902 -2.194 -1.501 1.00 0.00 C ATOM 1012 CG LEU A 66 -4.012 -0.849 -0.773 1.00 0.00 C ATOM 1013 CD1 LEU A 66 -5.215 -0.854 0.174 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -2.728 -0.629 0.034 1.00 0.00 C ATOM 0 H LEU A 66 -4.086 -4.132 -3.008 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.973 -2.733 -1.465 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.658 -2.979 -0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.086 -2.155 -2.222 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.147 -0.049 -1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.281 0.107 0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.127 -1.025 -0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.095 -1.648 0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.787 0.324 0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.610 -1.436 0.758 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.872 -0.619 -0.640 1.00 0.00 H new ATOM 1026 N ALA A 67 -5.037 -1.349 -4.291 1.00 0.00 N ATOM 1027 CA ALA A 67 -5.365 -0.351 -5.288 1.00 0.00 C ATOM 1028 C ALA A 67 -6.779 -0.591 -5.801 1.00 0.00 C ATOM 1029 O ALA A 67 -7.495 0.350 -6.141 1.00 0.00 O ATOM 1030 CB ALA A 67 -4.375 -0.440 -6.448 1.00 0.00 C ATOM 0 H ALA A 67 -4.304 -1.999 -4.574 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.306 0.641 -4.841 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.624 0.312 -7.197 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.365 -0.264 -6.078 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.429 -1.432 -6.897 1.00 0.00 H new ATOM 1036 N ALA A 68 -7.177 -1.863 -5.856 1.00 0.00 N ATOM 1037 CA ALA A 68 -8.514 -2.204 -6.331 1.00 0.00 C ATOM 1038 C ALA A 68 -9.571 -1.584 -5.426 1.00 0.00 C ATOM 1039 O ALA A 68 -10.521 -0.962 -5.900 1.00 0.00 O ATOM 1040 CB ALA A 68 -8.696 -3.725 -6.376 1.00 0.00 C ATOM 0 H ALA A 68 -6.602 -2.660 -5.582 1.00 0.00 H new ATOM 0 HA ALA A 68 -8.631 -1.806 -7.339 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -9.699 -3.961 -6.732 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.959 -4.160 -7.051 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.560 -4.137 -5.376 1.00 0.00 H new ATOM 1046 N TYR A 69 -9.400 -1.751 -4.119 1.00 0.00 N ATOM 1047 CA TYR A 69 -10.348 -1.193 -3.162 1.00 0.00 C ATOM 1048 C TYR A 69 -10.386 0.332 -3.261 1.00 0.00 C ATOM 1049 O TYR A 69 -11.462 0.932 -3.265 1.00 0.00 O ATOM 1050 CB TYR A 69 -9.968 -1.612 -1.737 1.00 0.00 C ATOM 1051 CG TYR A 69 -10.202 -3.098 -1.566 1.00 0.00 C ATOM 1052 CD1 TYR A 69 -11.502 -3.583 -1.372 1.00 0.00 C ATOM 1053 CD2 TYR A 69 -9.124 -3.991 -1.602 1.00 0.00 C ATOM 1054 CE1 TYR A 69 -11.721 -4.957 -1.215 1.00 0.00 C ATOM 1055 CE2 TYR A 69 -9.343 -5.364 -1.445 1.00 0.00 C ATOM 1056 CZ TYR A 69 -10.641 -5.847 -1.251 1.00 0.00 C ATOM 1057 OH TYR A 69 -10.856 -7.201 -1.096 1.00 0.00 O ATOM 0 H TYR A 69 -8.623 -2.263 -3.701 1.00 0.00 H new ATOM 0 HA TYR A 69 -11.339 -1.581 -3.398 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.922 -1.374 -1.544 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.561 -1.054 -1.013 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -12.336 -2.897 -1.344 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.121 -3.619 -1.751 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -12.723 -5.330 -1.066 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.510 -6.051 -1.474 1.00 0.00 H new ATOM 0 HH TYR A 69 -10.000 -7.676 -1.148 1.00 0.00 H new ATOM 1067 N HIS A 70 -9.212 0.957 -3.338 1.00 0.00 N ATOM 1068 CA HIS A 70 -9.143 2.415 -3.434 1.00 0.00 C ATOM 1069 C HIS A 70 -9.635 2.909 -4.793 1.00 0.00 C ATOM 1070 O HIS A 70 -10.446 3.832 -4.871 1.00 0.00 O ATOM 1071 CB HIS A 70 -7.705 2.888 -3.208 1.00 0.00 C ATOM 1072 CG HIS A 70 -7.651 4.389 -3.307 1.00 0.00 C ATOM 1073 ND1 HIS A 70 -8.643 5.201 -2.780 1.00 0.00 N ATOM 1074 CD2 HIS A 70 -6.735 5.238 -3.878 1.00 0.00 C ATOM 1075 CE1 HIS A 70 -8.305 6.476 -3.043 1.00 0.00 C ATOM 1076 NE2 HIS A 70 -7.150 6.556 -3.711 1.00 0.00 N ATOM 0 H HIS A 70 -8.308 0.485 -3.336 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.793 2.830 -2.663 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.354 2.564 -2.228 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.042 2.440 -3.948 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.830 4.930 -4.380 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -8.895 7.332 -2.750 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -6.675 7.401 -4.030 1.00 0.00 H new ATOM 1084 N ALA A 71 -9.134 2.298 -5.862 1.00 0.00 N ATOM 1085 CA ALA A 71 -9.527 2.699 -7.210 1.00 0.00 C ATOM 1086 C ALA A 71 -11.023 2.494 -7.419 1.00 0.00 C ATOM 1087 O ALA A 71 -11.623 3.097 -8.310 1.00 0.00 O ATOM 1088 CB ALA A 71 -8.745 1.899 -8.253 1.00 0.00 C ATOM 0 H ALA A 71 -8.462 1.531 -5.824 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.299 3.758 -7.328 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.049 2.209 -9.253 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.678 2.081 -8.126 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.950 0.836 -8.125 1.00 0.00 H new ATOM 1094 N LYS A 72 -11.625 1.657 -6.579 1.00 0.00 N ATOM 1095 CA LYS A 72 -13.060 1.398 -6.666 1.00 0.00 C ATOM 1096 C LYS A 72 -13.831 2.520 -5.973 1.00 0.00 C ATOM 1097 O LYS A 72 -14.658 3.187 -6.594 1.00 0.00 O ATOM 1098 CB LYS A 72 -13.394 0.046 -6.016 1.00 0.00 C ATOM 1099 CG LYS A 72 -13.206 -1.083 -7.042 1.00 0.00 C ATOM 1100 CD LYS A 72 -13.288 -2.456 -6.355 1.00 0.00 C ATOM 1101 CE LYS A 72 -13.026 -3.552 -7.388 1.00 0.00 C ATOM 1102 NZ LYS A 72 -13.096 -4.885 -6.726 1.00 0.00 N ATOM 0 H LYS A 72 -11.146 1.149 -5.835 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.352 1.362 -7.716 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.750 -0.123 -5.153 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.421 0.051 -5.651 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.971 -1.011 -7.815 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.241 -0.975 -7.537 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.557 -2.517 -5.549 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.271 -2.592 -5.904 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.761 -3.494 -8.191 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.046 -3.411 -7.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.918 -5.631 -7.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.378 -4.938 -5.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.041 -5.018 -6.312 1.00 0.00 H new ATOM 1116 N HIS A 73 -13.553 2.730 -4.689 1.00 0.00 N ATOM 1117 CA HIS A 73 -14.231 3.778 -3.948 1.00 0.00 C ATOM 1118 C HIS A 73 -14.074 5.111 -4.666 1.00 0.00 C ATOM 1119 O HIS A 73 -15.022 5.892 -4.751 1.00 0.00 O ATOM 1120 CB HIS A 73 -13.671 3.866 -2.526 1.00 0.00 C ATOM 1121 CG HIS A 73 -14.400 4.933 -1.755 1.00 0.00 C ATOM 1122 ND1 HIS A 73 -14.034 6.268 -1.818 1.00 0.00 N ATOM 1123 CD2 HIS A 73 -15.467 4.877 -0.894 1.00 0.00 C ATOM 1124 CE1 HIS A 73 -14.868 6.954 -1.016 1.00 0.00 C ATOM 1125 NE2 HIS A 73 -15.760 6.155 -0.428 1.00 0.00 N ATOM 0 H HIS A 73 -12.872 2.194 -4.150 1.00 0.00 H new ATOM 0 HA HIS A 73 -15.293 3.538 -3.888 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -13.778 2.905 -2.023 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -12.605 4.092 -2.559 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -15.999 3.978 -0.620 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -14.821 8.023 -0.866 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -16.498 6.423 0.223 1.00 0.00 H new ATOM 1133 N CYS A 74 -12.892 5.346 -5.227 1.00 0.00 N ATOM 1134 CA CYS A 74 -12.663 6.565 -5.985 1.00 0.00 C ATOM 1135 C CYS A 74 -13.316 6.403 -7.350 1.00 0.00 C ATOM 1136 O CYS A 74 -12.809 5.685 -8.211 1.00 0.00 O ATOM 1137 CB CYS A 74 -11.162 6.813 -6.148 1.00 0.00 C ATOM 1138 SG CYS A 74 -10.898 8.418 -6.941 1.00 0.00 S ATOM 0 H CYS A 74 -12.091 4.717 -5.171 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.093 7.418 -5.460 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.671 6.791 -5.175 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -10.715 6.021 -6.748 1.00 0.00 H new ATOM 0 HG CYS A 74 -10.838 8.261 -8.230 1.00 0.00 H new ATOM 1144 N GLN A 75 -14.466 7.046 -7.530 1.00 0.00 N ATOM 1145 CA GLN A 75 -15.204 6.933 -8.781 1.00 0.00 C ATOM 1146 C GLN A 75 -14.600 7.859 -9.828 1.00 0.00 C ATOM 1147 O GLN A 75 -15.122 8.008 -10.932 1.00 0.00 O ATOM 1148 CB GLN A 75 -16.679 7.290 -8.536 1.00 0.00 C ATOM 1149 CG GLN A 75 -17.561 6.836 -9.710 1.00 0.00 C ATOM 1150 CD GLN A 75 -17.557 5.314 -9.823 1.00 0.00 C ATOM 1151 OE1 GLN A 75 -17.630 4.614 -8.815 1.00 0.00 O ATOM 1152 NE2 GLN A 75 -17.477 4.760 -11.003 1.00 0.00 N ATOM 0 H GLN A 75 -14.903 7.646 -6.831 1.00 0.00 H new ATOM 0 HA GLN A 75 -15.141 5.909 -9.150 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -17.022 6.818 -7.615 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -16.778 8.367 -8.398 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -18.581 7.193 -9.566 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -17.197 7.277 -10.638 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -17.417 5.344 -11.837 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -17.475 3.744 -11.090 1.00 0.00 H new ATOM 1161 N GLU A 76 -13.489 8.481 -9.462 1.00 0.00 N ATOM 1162 CA GLU A 76 -12.794 9.405 -10.355 1.00 0.00 C ATOM 1163 C GLU A 76 -11.392 8.915 -10.649 1.00 0.00 C ATOM 1164 O GLU A 76 -10.736 8.315 -9.798 1.00 0.00 O ATOM 1165 CB GLU A 76 -12.732 10.799 -9.721 1.00 0.00 C ATOM 1166 CG GLU A 76 -12.045 11.775 -10.682 1.00 0.00 C ATOM 1167 CD GLU A 76 -12.134 13.196 -10.133 1.00 0.00 C ATOM 1168 OE1 GLU A 76 -12.498 13.344 -8.979 1.00 0.00 O ATOM 1169 OE2 GLU A 76 -11.835 14.116 -10.877 1.00 0.00 O ATOM 0 H GLU A 76 -13.046 8.364 -8.551 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.348 9.458 -11.292 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -13.738 11.149 -9.490 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.185 10.756 -8.779 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.001 11.493 -10.816 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.517 11.725 -11.663 1.00 0.00 H new ATOM 1176 N ASN A 77 -10.931 9.192 -11.863 1.00 0.00 N ATOM 1177 CA ASN A 77 -9.600 8.794 -12.265 1.00 0.00 C ATOM 1178 C ASN A 77 -8.606 9.812 -11.736 1.00 0.00 C ATOM 1179 O ASN A 77 -8.233 10.744 -12.449 1.00 0.00 O ATOM 1180 CB ASN A 77 -9.513 8.730 -13.793 1.00 0.00 C ATOM 1181 CG ASN A 77 -10.246 7.496 -14.311 1.00 0.00 C ATOM 1182 OD1 ASN A 77 -9.655 6.421 -14.420 1.00 0.00 O ATOM 1183 ND2 ASN A 77 -11.507 7.586 -14.634 1.00 0.00 N ATOM 0 H ASN A 77 -11.461 9.689 -12.579 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.372 7.808 -11.860 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.949 9.630 -14.227 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -8.469 8.699 -14.104 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -12.005 6.765 -14.978 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.994 8.477 -14.543 1.00 0.00 H new ATOM 1190 N LYS A 78 -8.201 9.644 -10.474 1.00 0.00 N ATOM 1191 CA LYS A 78 -7.265 10.573 -9.840 1.00 0.00 C ATOM 1192 C LYS A 78 -6.289 11.143 -10.874 1.00 0.00 C ATOM 1193 O LYS A 78 -6.321 12.342 -11.142 1.00 0.00 O ATOM 1194 CB LYS A 78 -6.510 9.864 -8.702 1.00 0.00 C ATOM 1195 CG LYS A 78 -7.406 9.728 -7.456 1.00 0.00 C ATOM 1196 CD LYS A 78 -7.514 11.083 -6.732 1.00 0.00 C ATOM 1197 CE LYS A 78 -8.334 10.937 -5.448 1.00 0.00 C ATOM 1198 NZ LYS A 78 -8.599 12.294 -4.887 1.00 0.00 N ATOM 0 H LYS A 78 -8.506 8.877 -9.875 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.827 11.405 -9.416 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.187 8.877 -9.033 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.611 10.426 -8.450 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.398 9.383 -7.748 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.993 8.978 -6.781 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.518 11.456 -6.495 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.981 11.817 -7.388 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.274 10.425 -5.657 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.794 10.328 -4.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.156 12.206 -4.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.696 12.765 -4.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.130 12.859 -5.580 1.00 0.00 H new ATOM 1212 N CYS A 79 -5.478 10.257 -11.478 1.00 0.00 N ATOM 1213 CA CYS A 79 -4.516 10.618 -12.539 1.00 0.00 C ATOM 1214 C CYS A 79 -3.092 10.138 -12.223 1.00 0.00 C ATOM 1215 O CYS A 79 -2.523 9.385 -13.011 1.00 0.00 O ATOM 1216 CB CYS A 79 -4.518 12.119 -12.879 1.00 0.00 C ATOM 1217 SG CYS A 79 -3.193 12.469 -14.068 1.00 0.00 S ATOM 0 H CYS A 79 -5.470 9.264 -11.244 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.863 10.090 -13.427 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -5.482 12.407 -13.297 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -4.374 12.709 -11.974 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.194 13.736 -14.358 1.00 0.00 H new ATOM 1223 N PRO A 80 -2.481 10.527 -11.124 1.00 0.00 N ATOM 1224 CA PRO A 80 -1.097 10.066 -10.811 1.00 0.00 C ATOM 1225 C PRO A 80 -1.046 8.571 -10.484 1.00 0.00 C ATOM 1226 O PRO A 80 -0.074 7.901 -10.815 1.00 0.00 O ATOM 1227 CB PRO A 80 -0.707 10.909 -9.592 1.00 0.00 C ATOM 1228 CG PRO A 80 -2.001 11.177 -8.919 1.00 0.00 C ATOM 1229 CD PRO A 80 -2.990 11.417 -10.061 1.00 0.00 C ATOM 0 HA PRO A 80 -0.420 10.190 -11.656 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -0.019 10.373 -8.938 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -0.210 11.833 -9.887 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.308 10.334 -8.300 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -1.934 12.046 -8.264 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.010 11.162 -9.774 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.999 12.460 -10.376 1.00 0.00 H new ATOM 1237 N VAL A 81 -2.099 8.059 -9.836 1.00 0.00 N ATOM 1238 CA VAL A 81 -2.156 6.641 -9.471 1.00 0.00 C ATOM 1239 C VAL A 81 -2.145 5.773 -10.741 1.00 0.00 C ATOM 1240 O VAL A 81 -3.124 5.772 -11.483 1.00 0.00 O ATOM 1241 CB VAL A 81 -3.433 6.364 -8.661 1.00 0.00 C ATOM 1242 CG1 VAL A 81 -3.297 5.035 -7.911 1.00 0.00 C ATOM 1243 CG2 VAL A 81 -3.672 7.493 -7.650 1.00 0.00 C ATOM 0 H VAL A 81 -2.916 8.601 -9.556 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.286 6.393 -8.863 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.277 6.310 -9.348 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.205 4.845 -7.339 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.143 4.227 -8.627 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.445 5.086 -7.233 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.579 7.287 -7.082 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.824 7.557 -6.969 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.783 8.439 -8.180 1.00 0.00 H new ATOM 1253 N PRO A 82 -1.072 5.061 -11.033 1.00 0.00 N ATOM 1254 CA PRO A 82 -0.991 4.220 -12.273 1.00 0.00 C ATOM 1255 C PRO A 82 -2.108 3.180 -12.391 1.00 0.00 C ATOM 1256 O PRO A 82 -2.782 3.088 -13.416 1.00 0.00 O ATOM 1257 CB PRO A 82 0.374 3.517 -12.155 1.00 0.00 C ATOM 1258 CG PRO A 82 1.176 4.365 -11.226 1.00 0.00 C ATOM 1259 CD PRO A 82 0.175 4.962 -10.240 1.00 0.00 C ATOM 0 HA PRO A 82 -1.102 4.840 -13.163 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.263 2.505 -11.766 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.858 3.433 -13.128 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.930 3.772 -10.708 1.00 0.00 H new ATOM 0 HG3 PRO A 82 1.705 5.148 -11.769 1.00 0.00 H new ATOM 0 HD2 PRO A 82 0.045 4.325 -9.365 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.500 5.938 -9.879 1.00 0.00 H new ATOM 1267 N PHE A 83 -2.252 2.368 -11.353 1.00 0.00 N ATOM 1268 CA PHE A 83 -3.240 1.290 -11.359 1.00 0.00 C ATOM 1269 C PHE A 83 -4.658 1.805 -11.580 1.00 0.00 C ATOM 1270 O PHE A 83 -5.407 1.246 -12.380 1.00 0.00 O ATOM 1271 CB PHE A 83 -3.197 0.534 -10.031 1.00 0.00 C ATOM 1272 CG PHE A 83 -1.762 0.334 -9.607 1.00 0.00 C ATOM 1273 CD1 PHE A 83 -0.877 -0.369 -10.435 1.00 0.00 C ATOM 1274 CD2 PHE A 83 -1.316 0.849 -8.384 1.00 0.00 C ATOM 1275 CE1 PHE A 83 0.452 -0.558 -10.038 1.00 0.00 C ATOM 1276 CE2 PHE A 83 0.012 0.660 -7.987 1.00 0.00 C ATOM 1277 CZ PHE A 83 0.895 -0.046 -8.813 1.00 0.00 C ATOM 0 H PHE A 83 -1.701 2.432 -10.497 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.983 0.630 -12.187 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -3.738 1.091 -9.266 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.694 -0.431 -10.134 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.220 -0.765 -11.379 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.998 1.393 -7.747 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.135 -1.099 -10.677 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.356 1.058 -7.044 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.919 -0.196 -8.505 1.00 0.00 H new ATOM 1287 N CYS A 84 -5.038 2.847 -10.851 1.00 0.00 N ATOM 1288 CA CYS A 84 -6.391 3.376 -10.979 1.00 0.00 C ATOM 1289 C CYS A 84 -6.724 3.614 -12.449 1.00 0.00 C ATOM 1290 O CYS A 84 -7.793 3.234 -12.920 1.00 0.00 O ATOM 1291 CB CYS A 84 -6.552 4.669 -10.159 1.00 0.00 C ATOM 1292 SG CYS A 84 -6.160 6.123 -11.172 1.00 0.00 S ATOM 0 H CYS A 84 -4.444 3.334 -10.179 1.00 0.00 H new ATOM 0 HA CYS A 84 -7.092 2.642 -10.581 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -7.573 4.744 -9.786 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.896 4.638 -9.289 1.00 0.00 H new ATOM 0 HG CYS A 84 -4.883 6.151 -11.415 1.00 0.00 H new ATOM 1298 N LEU A 85 -5.793 4.222 -13.173 1.00 0.00 N ATOM 1299 CA LEU A 85 -6.002 4.472 -14.594 1.00 0.00 C ATOM 1300 C LEU A 85 -6.101 3.148 -15.353 1.00 0.00 C ATOM 1301 O LEU A 85 -6.872 3.015 -16.297 1.00 0.00 O ATOM 1302 CB LEU A 85 -4.846 5.304 -15.177 1.00 0.00 C ATOM 1303 CG LEU A 85 -4.869 6.744 -14.622 1.00 0.00 C ATOM 1304 CD1 LEU A 85 -3.533 7.447 -14.929 1.00 0.00 C ATOM 1305 CD2 LEU A 85 -6.009 7.541 -15.270 1.00 0.00 C ATOM 0 H LEU A 85 -4.898 4.547 -12.807 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.932 5.029 -14.706 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.894 4.832 -14.934 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.922 5.328 -16.264 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.022 6.697 -13.544 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.557 8.463 -14.534 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.716 6.896 -14.463 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.379 7.481 -16.008 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.016 8.555 -14.871 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.861 7.576 -16.349 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.961 7.058 -15.050 1.00 0.00 H new ATOM 1317 N ASN A 86 -5.310 2.171 -14.940 1.00 0.00 N ATOM 1318 CA ASN A 86 -5.305 0.876 -15.608 1.00 0.00 C ATOM 1319 C ASN A 86 -6.641 0.167 -15.439 1.00 0.00 C ATOM 1320 O ASN A 86 -7.046 -0.606 -16.303 1.00 0.00 O ATOM 1321 CB ASN A 86 -4.186 -0.002 -15.049 1.00 0.00 C ATOM 1322 CG ASN A 86 -2.833 0.637 -15.346 1.00 0.00 C ATOM 1323 OD1 ASN A 86 -2.671 1.301 -16.370 1.00 0.00 O ATOM 1324 ND2 ASN A 86 -1.847 0.477 -14.507 1.00 0.00 N ATOM 0 H ASN A 86 -4.667 2.247 -14.152 1.00 0.00 H new ATOM 0 HA ASN A 86 -5.136 1.048 -16.671 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.312 -0.127 -13.973 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.235 -0.996 -15.493 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.940 0.902 -14.699 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.983 -0.073 -13.659 1.00 0.00 H new ATOM 1331 N ILE A 87 -7.312 0.420 -14.322 1.00 0.00 N ATOM 1332 CA ILE A 87 -8.603 -0.209 -14.052 1.00 0.00 C ATOM 1333 C ILE A 87 -9.767 0.702 -14.448 1.00 0.00 C ATOM 1334 O ILE A 87 -10.693 0.271 -15.136 1.00 0.00 O ATOM 1335 CB ILE A 87 -8.696 -0.567 -12.566 1.00 0.00 C ATOM 1336 CG1 ILE A 87 -7.614 -1.600 -12.237 1.00 0.00 C ATOM 1337 CG2 ILE A 87 -10.078 -1.154 -12.253 1.00 0.00 C ATOM 1338 CD1 ILE A 87 -7.506 -1.764 -10.722 1.00 0.00 C ATOM 0 H ILE A 87 -6.987 1.053 -13.591 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.674 -1.115 -14.654 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.550 0.330 -11.965 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.857 -2.556 -12.700 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.656 -1.281 -12.648 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -10.135 -1.406 -11.194 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -10.848 -0.421 -12.494 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -10.235 -2.053 -12.849 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.736 -2.499 -10.490 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.243 -0.808 -10.270 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.463 -2.102 -10.324 1.00 0.00 H new ATOM 1350 N LYS A 88 -9.738 1.951 -13.984 1.00 0.00 N ATOM 1351 CA LYS A 88 -10.831 2.887 -14.279 1.00 0.00 C ATOM 1352 C LYS A 88 -10.747 3.461 -15.697 1.00 0.00 C ATOM 1353 O LYS A 88 -11.769 3.605 -16.367 1.00 0.00 O ATOM 1354 CB LYS A 88 -10.861 4.028 -13.246 1.00 0.00 C ATOM 1355 CG LYS A 88 -11.402 3.531 -11.891 1.00 0.00 C ATOM 1356 CD LYS A 88 -12.916 3.280 -11.971 1.00 0.00 C ATOM 1357 CE LYS A 88 -13.445 2.896 -10.588 1.00 0.00 C ATOM 1358 NZ LYS A 88 -14.884 2.523 -10.696 1.00 0.00 N ATOM 0 H LYS A 88 -8.986 2.336 -13.412 1.00 0.00 H new ATOM 0 HA LYS A 88 -11.758 2.318 -14.215 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -9.857 4.431 -13.115 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -11.486 4.841 -13.615 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -10.890 2.612 -11.604 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -11.191 4.268 -11.117 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -13.425 4.174 -12.331 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -13.126 2.484 -12.686 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -12.871 2.062 -10.185 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -13.325 3.729 -9.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -15.281 2.393 -9.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -15.403 3.279 -11.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -14.974 1.636 -11.232 1.00 0.00 H new ATOM 1372 N GLN A 89 -9.544 3.802 -16.153 1.00 0.00 N ATOM 1373 CA GLN A 89 -9.388 4.371 -17.496 1.00 0.00 C ATOM 1374 C GLN A 89 -9.300 3.267 -18.543 1.00 0.00 C ATOM 1375 O GLN A 89 -9.531 3.508 -19.728 1.00 0.00 O ATOM 1376 CB GLN A 89 -8.124 5.233 -17.558 1.00 0.00 C ATOM 1377 CG GLN A 89 -8.194 6.187 -18.751 1.00 0.00 C ATOM 1378 CD GLN A 89 -6.901 6.992 -18.840 1.00 0.00 C ATOM 1379 OE1 GLN A 89 -5.810 6.426 -18.767 1.00 0.00 O ATOM 1380 NE2 GLN A 89 -6.958 8.288 -18.985 1.00 0.00 N ATOM 0 H GLN A 89 -8.676 3.698 -15.627 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.261 4.988 -17.707 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.017 5.801 -16.634 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.244 4.596 -17.644 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.347 5.624 -19.671 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.046 6.859 -18.643 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.863 8.755 -19.045 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -6.098 8.834 -19.038 1.00 0.00 H new ATOM 1389 N LYS A 90 -8.941 2.067 -18.088 1.00 0.00 N ATOM 1390 CA LYS A 90 -8.789 0.898 -18.968 1.00 0.00 C ATOM 1391 C LYS A 90 -9.603 1.037 -20.260 1.00 0.00 C ATOM 1392 O LYS A 90 -9.007 0.960 -21.321 1.00 0.00 O ATOM 1393 CB LYS A 90 -9.231 -0.372 -18.215 1.00 0.00 C ATOM 1394 CG LYS A 90 -8.383 -1.577 -18.654 1.00 0.00 C ATOM 1395 CD LYS A 90 -8.734 -2.799 -17.800 1.00 0.00 C ATOM 1396 CE LYS A 90 -7.851 -3.980 -18.214 1.00 0.00 C ATOM 1397 NZ LYS A 90 -8.190 -5.175 -17.388 1.00 0.00 N ATOM 1398 OXT LYS A 90 -10.806 1.212 -20.164 1.00 0.00 O ATOM 0 H LYS A 90 -8.747 1.873 -17.105 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.738 0.828 -19.247 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.129 -0.220 -17.141 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -10.285 -0.570 -18.410 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.562 -1.795 -19.707 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.323 -1.343 -18.552 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.586 -2.573 -16.744 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.786 -3.055 -17.927 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.997 -4.203 -19.271 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.800 -3.723 -18.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.589 -5.975 -17.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.029 -4.960 -16.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.189 -5.425 -17.532 1.00 0.00 H new TER 1412 LYS A 90 ATOM 1413 N MET B 1 -13.894 -28.344 13.588 1.00 0.00 N ATOM 1414 CA MET B 1 -14.650 -27.776 14.741 1.00 0.00 C ATOM 1415 C MET B 1 -13.885 -26.585 15.309 1.00 0.00 C ATOM 1416 O MET B 1 -12.657 -26.605 15.386 1.00 0.00 O ATOM 1417 CB MET B 1 -14.813 -28.852 15.815 1.00 0.00 C ATOM 1418 CG MET B 1 -15.693 -29.982 15.275 1.00 0.00 C ATOM 1419 SD MET B 1 -15.919 -31.242 16.557 1.00 0.00 S ATOM 1420 CE MET B 1 -14.410 -32.187 16.229 1.00 0.00 C ATOM 0 H1 MET B 1 -14.532 -28.924 13.007 1.00 0.00 H new ATOM 0 H2 MET B 1 -13.508 -27.570 13.011 1.00 0.00 H new ATOM 0 H3 MET B 1 -13.114 -28.935 13.941 1.00 0.00 H new ATOM 0 HA MET B 1 -15.635 -27.444 14.412 1.00 0.00 H new ATOM 0 HB2 MET B 1 -13.838 -29.243 16.104 1.00 0.00 H new ATOM 0 HB3 MET B 1 -15.263 -28.422 16.710 1.00 0.00 H new ATOM 0 HG2 MET B 1 -16.660 -29.587 14.965 1.00 0.00 H new ATOM 0 HG3 MET B 1 -15.232 -30.425 14.392 1.00 0.00 H new ATOM 0 HE1 MET B 1 -14.349 -33.027 16.921 1.00 0.00 H new ATOM 0 HE2 MET B 1 -14.430 -32.561 15.205 1.00 0.00 H new ATOM 0 HE3 MET B 1 -13.541 -31.543 16.363 1.00 0.00 H new ATOM 1432 N GLU B 2 -14.618 -25.548 15.703 1.00 0.00 N ATOM 1433 CA GLU B 2 -13.997 -24.350 16.261 1.00 0.00 C ATOM 1434 C GLU B 2 -13.270 -24.679 17.563 1.00 0.00 C ATOM 1435 O GLU B 2 -13.788 -25.423 18.394 1.00 0.00 O ATOM 1436 CB GLU B 2 -15.064 -23.285 16.526 1.00 0.00 C ATOM 1437 CG GLU B 2 -14.394 -21.982 16.969 1.00 0.00 C ATOM 1438 CD GLU B 2 -15.448 -20.901 17.188 1.00 0.00 C ATOM 1439 OE1 GLU B 2 -16.617 -21.245 17.246 1.00 0.00 O ATOM 1440 OE2 GLU B 2 -15.069 -19.746 17.296 1.00 0.00 O ATOM 0 H GLU B 2 -15.636 -25.512 15.647 1.00 0.00 H new ATOM 0 HA GLU B 2 -13.273 -23.969 15.540 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -15.653 -23.114 15.625 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -15.753 -23.631 17.296 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -13.833 -22.146 17.889 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -13.679 -21.656 16.214 1.00 0.00 H new ATOM 1447 N GLU B 3 -12.082 -24.095 17.738 1.00 0.00 N ATOM 1448 CA GLU B 3 -11.276 -24.298 18.949 1.00 0.00 C ATOM 1449 C GLU B 3 -9.831 -23.851 18.697 1.00 0.00 C ATOM 1450 O GLU B 3 -9.238 -23.165 19.530 1.00 0.00 O ATOM 1451 CB GLU B 3 -11.293 -25.778 19.418 1.00 0.00 C ATOM 1452 CG GLU B 3 -12.085 -25.917 20.726 1.00 0.00 C ATOM 1453 CD GLU B 3 -12.220 -27.391 21.094 1.00 0.00 C ATOM 1454 OE1 GLU B 3 -13.117 -28.033 20.574 1.00 0.00 O ATOM 1455 OE2 GLU B 3 -11.421 -27.857 21.890 1.00 0.00 O ATOM 0 H GLU B 3 -11.653 -23.473 17.053 1.00 0.00 H new ATOM 0 HA GLU B 3 -11.718 -23.694 19.742 1.00 0.00 H new ATOM 0 HB2 GLU B 3 -11.740 -26.405 18.647 1.00 0.00 H new ATOM 0 HB3 GLU B 3 -10.272 -26.131 19.564 1.00 0.00 H new ATOM 0 HG2 GLU B 3 -11.580 -25.378 21.527 1.00 0.00 H new ATOM 0 HG3 GLU B 3 -13.072 -25.469 20.613 1.00 0.00 H new ATOM 1462 N PRO B 4 -9.252 -24.223 17.579 1.00 0.00 N ATOM 1463 CA PRO B 4 -7.848 -23.843 17.241 1.00 0.00 C ATOM 1464 C PRO B 4 -7.638 -22.332 17.317 1.00 0.00 C ATOM 1465 O PRO B 4 -6.571 -21.870 17.704 1.00 0.00 O ATOM 1466 CB PRO B 4 -7.659 -24.364 15.806 1.00 0.00 C ATOM 1467 CG PRO B 4 -8.667 -25.457 15.658 1.00 0.00 C ATOM 1468 CD PRO B 4 -9.862 -25.040 16.516 1.00 0.00 C ATOM 0 HA PRO B 4 -7.125 -24.264 17.939 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -7.823 -23.573 15.074 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -6.646 -24.737 15.651 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -8.959 -25.581 14.615 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -8.260 -26.412 15.991 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -10.591 -24.470 15.940 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -10.385 -25.905 16.924 1.00 0.00 H new ATOM 1476 N GLN B 5 -8.682 -21.595 16.925 1.00 0.00 N ATOM 1477 CA GLN B 5 -8.688 -20.125 16.908 1.00 0.00 C ATOM 1478 C GLN B 5 -8.269 -19.609 15.536 1.00 0.00 C ATOM 1479 O GLN B 5 -7.197 -19.021 15.396 1.00 0.00 O ATOM 1480 CB GLN B 5 -7.760 -19.503 17.966 1.00 0.00 C ATOM 1481 CG GLN B 5 -8.209 -19.905 19.373 1.00 0.00 C ATOM 1482 CD GLN B 5 -7.208 -19.385 20.400 1.00 0.00 C ATOM 1483 OE1 GLN B 5 -6.253 -18.695 20.044 1.00 0.00 O ATOM 1484 NE2 GLN B 5 -7.369 -19.676 21.663 1.00 0.00 N ATOM 0 H GLN B 5 -9.559 -22.006 16.606 1.00 0.00 H new ATOM 0 HA GLN B 5 -9.710 -19.827 17.141 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -6.734 -19.831 17.797 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -7.767 -18.417 17.872 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -9.200 -19.500 19.579 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -8.287 -20.990 19.444 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -8.161 -20.248 21.958 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -6.703 -19.331 22.355 1.00 0.00 H new ATOM 1493 N SER B 6 -9.121 -19.850 14.533 1.00 0.00 N ATOM 1494 CA SER B 6 -8.859 -19.427 13.149 1.00 0.00 C ATOM 1495 C SER B 6 -7.766 -18.360 13.068 1.00 0.00 C ATOM 1496 O SER B 6 -7.881 -17.299 13.674 1.00 0.00 O ATOM 1497 CB SER B 6 -10.149 -18.873 12.543 1.00 0.00 C ATOM 1498 OG SER B 6 -9.873 -18.333 11.259 1.00 0.00 O ATOM 0 H SER B 6 -10.007 -20.341 14.655 1.00 0.00 H new ATOM 0 HA SER B 6 -8.512 -20.299 12.594 1.00 0.00 H new ATOM 0 HB2 SER B 6 -10.896 -19.663 12.464 1.00 0.00 H new ATOM 0 HB3 SER B 6 -10.567 -18.103 13.191 1.00 0.00 H new ATOM 0 HG SER B 6 -10.699 -17.979 10.869 1.00 0.00 H new ATOM 1504 N ASP B 7 -6.707 -18.656 12.315 1.00 0.00 N ATOM 1505 CA ASP B 7 -5.589 -17.724 12.156 1.00 0.00 C ATOM 1506 C ASP B 7 -5.716 -16.888 10.875 1.00 0.00 C ATOM 1507 O ASP B 7 -5.266 -15.743 10.840 1.00 0.00 O ATOM 1508 CB ASP B 7 -4.266 -18.496 12.137 1.00 0.00 C ATOM 1509 CG ASP B 7 -4.278 -19.574 13.215 1.00 0.00 C ATOM 1510 OD1 ASP B 7 -4.844 -19.324 14.268 1.00 0.00 O ATOM 1511 OD2 ASP B 7 -3.722 -20.633 12.973 1.00 0.00 O ATOM 0 H ASP B 7 -6.599 -19.533 11.805 1.00 0.00 H new ATOM 0 HA ASP B 7 -5.609 -17.040 13.004 1.00 0.00 H new ATOM 0 HB2 ASP B 7 -4.114 -18.950 11.158 1.00 0.00 H new ATOM 0 HB3 ASP B 7 -3.434 -17.812 12.304 1.00 0.00 H new ATOM 1516 N PRO B 8 -6.300 -17.420 9.828 1.00 0.00 N ATOM 1517 CA PRO B 8 -6.454 -16.676 8.538 1.00 0.00 C ATOM 1518 C PRO B 8 -7.082 -15.291 8.713 1.00 0.00 C ATOM 1519 O PRO B 8 -6.716 -14.350 8.009 1.00 0.00 O ATOM 1520 CB PRO B 8 -7.359 -17.592 7.699 1.00 0.00 C ATOM 1521 CG PRO B 8 -7.110 -18.963 8.235 1.00 0.00 C ATOM 1522 CD PRO B 8 -6.867 -18.779 9.734 1.00 0.00 C ATOM 0 HA PRO B 8 -5.488 -16.473 8.075 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -8.408 -17.312 7.799 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -7.112 -17.530 6.639 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -7.963 -19.616 8.053 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -6.248 -19.423 7.751 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -7.792 -18.868 10.304 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -6.179 -19.529 10.124 1.00 0.00 H new ATOM 1530 N SER B 9 -8.033 -15.169 9.643 1.00 0.00 N ATOM 1531 CA SER B 9 -8.705 -13.885 9.878 1.00 0.00 C ATOM 1532 C SER B 9 -8.196 -13.214 11.147 1.00 0.00 C ATOM 1533 O SER B 9 -8.390 -12.015 11.351 1.00 0.00 O ATOM 1534 CB SER B 9 -10.214 -14.102 9.986 1.00 0.00 C ATOM 1535 OG SER B 9 -10.496 -14.869 11.150 1.00 0.00 O ATOM 0 H SER B 9 -8.353 -15.932 10.239 1.00 0.00 H new ATOM 0 HA SER B 9 -8.483 -13.232 9.034 1.00 0.00 H new ATOM 0 HB2 SER B 9 -10.728 -13.142 10.035 1.00 0.00 H new ATOM 0 HB3 SER B 9 -10.584 -14.617 9.099 1.00 0.00 H new ATOM 0 HG SER B 9 -11.463 -15.009 11.223 1.00 0.00 H new ATOM 1541 N VAL B 10 -7.550 -13.996 11.993 1.00 0.00 N ATOM 1542 CA VAL B 10 -7.009 -13.484 13.253 1.00 0.00 C ATOM 1543 C VAL B 10 -5.513 -13.237 13.128 1.00 0.00 C ATOM 1544 O VAL B 10 -4.706 -14.088 13.499 1.00 0.00 O ATOM 1545 CB VAL B 10 -7.243 -14.502 14.365 1.00 0.00 C ATOM 1546 CG1 VAL B 10 -6.829 -13.902 15.712 1.00 0.00 C ATOM 1547 CG2 VAL B 10 -8.725 -14.884 14.414 1.00 0.00 C ATOM 0 H VAL B 10 -7.384 -14.990 11.836 1.00 0.00 H new ATOM 0 HA VAL B 10 -7.514 -12.547 13.488 1.00 0.00 H new ATOM 0 HB VAL B 10 -6.645 -15.391 14.164 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -6.998 -14.633 16.503 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -5.772 -13.637 15.683 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -7.422 -13.009 15.910 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -8.887 -15.611 15.210 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -9.324 -13.994 14.608 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -9.020 -15.319 13.459 1.00 0.00 H new ATOM 1557 N GLU B 11 -5.150 -12.083 12.580 1.00 0.00 N ATOM 1558 CA GLU B 11 -3.745 -11.733 12.385 1.00 0.00 C ATOM 1559 C GLU B 11 -3.334 -10.616 13.350 1.00 0.00 C ATOM 1560 O GLU B 11 -3.537 -9.441 13.049 1.00 0.00 O ATOM 1561 CB GLU B 11 -3.560 -11.273 10.938 1.00 0.00 C ATOM 1562 CG GLU B 11 -3.823 -12.459 9.986 1.00 0.00 C ATOM 1563 CD GLU B 11 -2.522 -13.204 9.689 1.00 0.00 C ATOM 1564 OE1 GLU B 11 -1.765 -13.428 10.620 1.00 0.00 O ATOM 1565 OE2 GLU B 11 -2.302 -13.539 8.536 1.00 0.00 O ATOM 0 H GLU B 11 -5.809 -11.372 12.262 1.00 0.00 H new ATOM 0 HA GLU B 11 -3.116 -12.601 12.586 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -4.244 -10.454 10.715 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -2.549 -10.892 10.792 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -4.545 -13.141 10.435 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -4.262 -12.097 9.056 1.00 0.00 H new ATOM 1572 N PRO B 12 -2.785 -10.946 14.500 1.00 0.00 N ATOM 1573 CA PRO B 12 -2.376 -9.929 15.521 1.00 0.00 C ATOM 1574 C PRO B 12 -1.667 -8.717 14.904 1.00 0.00 C ATOM 1575 O PRO B 12 -0.491 -8.808 14.550 1.00 0.00 O ATOM 1576 CB PRO B 12 -1.424 -10.717 16.426 1.00 0.00 C ATOM 1577 CG PRO B 12 -1.947 -12.114 16.386 1.00 0.00 C ATOM 1578 CD PRO B 12 -2.478 -12.319 14.962 1.00 0.00 C ATOM 0 HA PRO B 12 -3.233 -9.503 16.042 1.00 0.00 H new ATOM 0 HB2 PRO B 12 -0.397 -10.666 16.063 1.00 0.00 H new ATOM 0 HB3 PRO B 12 -1.423 -10.322 17.442 1.00 0.00 H new ATOM 0 HG2 PRO B 12 -1.161 -12.833 16.618 1.00 0.00 H new ATOM 0 HG3 PRO B 12 -2.737 -12.257 17.123 1.00 0.00 H new ATOM 0 HD2 PRO B 12 -1.737 -12.800 14.324 1.00 0.00 H new ATOM 0 HD3 PRO B 12 -3.365 -12.952 14.953 1.00 0.00 H new ATOM 1586 N PRO B 13 -2.331 -7.588 14.773 1.00 0.00 N ATOM 1587 CA PRO B 13 -1.698 -6.365 14.191 1.00 0.00 C ATOM 1588 C PRO B 13 -0.433 -5.966 14.952 1.00 0.00 C ATOM 1589 O PRO B 13 -0.453 -5.824 16.175 1.00 0.00 O ATOM 1590 CB PRO B 13 -2.785 -5.282 14.315 1.00 0.00 C ATOM 1591 CG PRO B 13 -4.073 -6.033 14.436 1.00 0.00 C ATOM 1592 CD PRO B 13 -3.735 -7.343 15.149 1.00 0.00 C ATOM 0 HA PRO B 13 -1.376 -6.521 13.161 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -2.614 -4.650 15.187 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -2.791 -4.628 13.443 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -4.807 -5.459 15.002 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -4.506 -6.224 13.454 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -3.851 -7.254 16.229 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -4.385 -8.156 14.825 1.00 0.00 H new ATOM 1600 N LEU B 14 0.664 -5.787 14.218 1.00 0.00 N ATOM 1601 CA LEU B 14 1.940 -5.405 14.823 1.00 0.00 C ATOM 1602 C LEU B 14 2.256 -3.944 14.512 1.00 0.00 C ATOM 1603 O LEU B 14 3.371 -3.480 14.751 1.00 0.00 O ATOM 1604 CB LEU B 14 3.058 -6.297 14.274 1.00 0.00 C ATOM 1605 CG LEU B 14 2.699 -7.777 14.474 1.00 0.00 C ATOM 1606 CD1 LEU B 14 3.757 -8.645 13.791 1.00 0.00 C ATOM 1607 CD2 LEU B 14 2.652 -8.117 15.972 1.00 0.00 C ATOM 0 H LEU B 14 0.696 -5.900 13.205 1.00 0.00 H new ATOM 0 HA LEU B 14 1.869 -5.531 15.903 1.00 0.00 H new ATOM 0 HB2 LEU B 14 3.210 -6.092 13.214 1.00 0.00 H new ATOM 0 HB3 LEU B 14 3.996 -6.071 14.781 1.00 0.00 H new ATOM 0 HG LEU B 14 1.719 -7.969 14.038 1.00 0.00 H new ATOM 0 HD11 LEU B 14 3.509 -9.697 13.929 1.00 0.00 H new ATOM 0 HD12 LEU B 14 3.784 -8.415 12.726 1.00 0.00 H new ATOM 0 HD13 LEU B 14 4.733 -8.442 14.231 1.00 0.00 H new ATOM 0 HD21 LEU B 14 2.396 -9.169 16.098 1.00 0.00 H new ATOM 0 HD22 LEU B 14 3.627 -7.924 16.420 1.00 0.00 H new ATOM 0 HD23 LEU B 14 1.899 -7.499 16.462 1.00 0.00 H new ATOM 1619 N SER B 15 1.270 -3.238 13.958 1.00 0.00 N ATOM 1620 CA SER B 15 1.428 -1.830 13.583 1.00 0.00 C ATOM 1621 C SER B 15 2.019 -1.720 12.182 1.00 0.00 C ATOM 1622 O SER B 15 1.726 -0.780 11.444 1.00 0.00 O ATOM 1623 CB SER B 15 2.331 -1.089 14.581 1.00 0.00 C ATOM 1624 OG SER B 15 3.687 -1.209 14.172 1.00 0.00 O ATOM 0 H SER B 15 0.346 -3.621 13.757 1.00 0.00 H new ATOM 0 HA SER B 15 0.441 -1.368 13.598 1.00 0.00 H new ATOM 0 HB2 SER B 15 2.047 -0.038 14.633 1.00 0.00 H new ATOM 0 HB3 SER B 15 2.203 -1.504 15.581 1.00 0.00 H new ATOM 0 HG SER B 15 4.065 -2.038 14.532 1.00 0.00 H new ATOM 1630 N GLN B 16 2.845 -2.700 11.821 1.00 0.00 N ATOM 1631 CA GLN B 16 3.476 -2.733 10.506 1.00 0.00 C ATOM 1632 C GLN B 16 2.909 -3.897 9.711 1.00 0.00 C ATOM 1633 O GLN B 16 3.575 -4.455 8.839 1.00 0.00 O ATOM 1634 CB GLN B 16 4.989 -2.906 10.655 1.00 0.00 C ATOM 1635 CG GLN B 16 5.587 -1.646 11.284 1.00 0.00 C ATOM 1636 CD GLN B 16 7.086 -1.829 11.493 1.00 0.00 C ATOM 1637 OE1 GLN B 16 7.510 -2.768 12.167 1.00 0.00 O ATOM 1638 NE2 GLN B 16 7.919 -0.979 10.955 1.00 0.00 N ATOM 0 H GLN B 16 3.093 -3.484 12.424 1.00 0.00 H new ATOM 0 HA GLN B 16 3.276 -1.796 9.986 1.00 0.00 H new ATOM 0 HB2 GLN B 16 5.207 -3.774 11.277 1.00 0.00 H new ATOM 0 HB3 GLN B 16 5.442 -3.089 9.681 1.00 0.00 H new ATOM 0 HG2 GLN B 16 5.404 -0.786 10.640 1.00 0.00 H new ATOM 0 HG3 GLN B 16 5.101 -1.440 12.238 1.00 0.00 H new ATOM 0 HE21 GLN B 16 7.565 -0.202 10.397 1.00 0.00 H new ATOM 0 HE22 GLN B 16 8.923 -1.092 11.093 1.00 0.00 H new ATOM 1647 N GLU B 17 1.677 -4.268 10.041 1.00 0.00 N ATOM 1648 CA GLU B 17 1.017 -5.385 9.380 1.00 0.00 C ATOM 1649 C GLU B 17 1.267 -5.349 7.877 1.00 0.00 C ATOM 1650 O GLU B 17 1.804 -6.299 7.305 1.00 0.00 O ATOM 1651 CB GLU B 17 -0.488 -5.338 9.655 1.00 0.00 C ATOM 1652 CG GLU B 17 -1.159 -6.582 9.066 1.00 0.00 C ATOM 1653 CD GLU B 17 -2.645 -6.585 9.411 1.00 0.00 C ATOM 1654 OE1 GLU B 17 -3.134 -5.556 9.847 1.00 0.00 O ATOM 1655 OE2 GLU B 17 -3.273 -7.615 9.231 1.00 0.00 O ATOM 0 H GLU B 17 1.117 -3.812 10.761 1.00 0.00 H new ATOM 0 HA GLU B 17 1.430 -6.312 9.778 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -0.670 -5.289 10.729 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -0.920 -4.438 9.217 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -1.028 -6.598 7.984 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -0.684 -7.482 9.458 1.00 0.00 H new ATOM 1662 N THR B 18 0.883 -4.246 7.239 1.00 0.00 N ATOM 1663 CA THR B 18 1.083 -4.104 5.803 1.00 0.00 C ATOM 1664 C THR B 18 2.513 -3.692 5.503 1.00 0.00 C ATOM 1665 O THR B 18 3.209 -4.370 4.744 1.00 0.00 O ATOM 1666 CB THR B 18 0.113 -3.067 5.227 1.00 0.00 C ATOM 1667 OG1 THR B 18 -1.203 -3.348 5.682 1.00 0.00 O ATOM 1668 CG2 THR B 18 0.151 -3.123 3.698 1.00 0.00 C ATOM 0 H THR B 18 0.437 -3.447 7.689 1.00 0.00 H new ATOM 0 HA THR B 18 0.888 -5.069 5.335 1.00 0.00 H new ATOM 0 HB THR B 18 0.407 -2.071 5.558 1.00 0.00 H new ATOM 0 HG1 THR B 18 -1.331 -2.960 6.573 1.00 0.00 H new ATOM 0 HG21 THR B 18 -0.539 -2.385 3.290 1.00 0.00 H new ATOM 0 HG22 THR B 18 1.161 -2.906 3.351 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.142 -4.118 3.363 1.00 0.00 H new ATOM 1676 N PHE B 19 2.949 -2.579 6.098 1.00 0.00 N ATOM 1677 CA PHE B 19 4.303 -2.085 5.876 1.00 0.00 C ATOM 1678 C PHE B 19 5.273 -3.247 5.746 1.00 0.00 C ATOM 1679 O PHE B 19 6.020 -3.345 4.763 1.00 0.00 O ATOM 1680 CB PHE B 19 4.725 -1.183 7.040 1.00 0.00 C ATOM 1681 CG PHE B 19 3.928 0.100 6.989 1.00 0.00 C ATOM 1682 CD1 PHE B 19 2.643 0.143 7.541 1.00 0.00 C ATOM 1683 CD2 PHE B 19 4.469 1.240 6.382 1.00 0.00 C ATOM 1684 CE1 PHE B 19 1.900 1.328 7.489 1.00 0.00 C ATOM 1685 CE2 PHE B 19 3.724 2.424 6.328 1.00 0.00 C ATOM 1686 CZ PHE B 19 2.440 2.469 6.883 1.00 0.00 C ATOM 0 H PHE B 19 2.387 -2.010 6.731 1.00 0.00 H new ATOM 0 HA PHE B 19 4.319 -1.509 4.951 1.00 0.00 H new ATOM 0 HB2 PHE B 19 4.557 -1.692 7.989 1.00 0.00 H new ATOM 0 HB3 PHE B 19 5.791 -0.965 6.979 1.00 0.00 H new ATOM 0 HD1 PHE B 19 2.225 -0.737 8.007 1.00 0.00 H new ATOM 0 HD2 PHE B 19 5.461 1.206 5.956 1.00 0.00 H new ATOM 0 HE1 PHE B 19 0.909 1.362 7.917 1.00 0.00 H new ATOM 0 HE2 PHE B 19 4.140 3.303 5.858 1.00 0.00 H new ATOM 0 HZ PHE B 19 1.866 3.383 6.844 1.00 0.00 H new ATOM 1696 N SER B 20 5.252 -4.122 6.757 1.00 0.00 N ATOM 1697 CA SER B 20 6.127 -5.287 6.791 1.00 0.00 C ATOM 1698 C SER B 20 6.396 -5.806 5.390 1.00 0.00 C ATOM 1699 O SER B 20 7.531 -5.824 4.924 1.00 0.00 O ATOM 1700 CB SER B 20 5.459 -6.394 7.608 1.00 0.00 C ATOM 1701 OG SER B 20 6.273 -7.559 7.575 1.00 0.00 O ATOM 0 H SER B 20 4.633 -4.040 7.564 1.00 0.00 H new ATOM 0 HA SER B 20 7.074 -4.994 7.245 1.00 0.00 H new ATOM 0 HB2 SER B 20 5.315 -6.066 8.637 1.00 0.00 H new ATOM 0 HB3 SER B 20 4.471 -6.615 7.203 1.00 0.00 H new ATOM 0 HG SER B 20 5.848 -8.270 8.099 1.00 0.00 H new ATOM 1707 N ASP B 21 5.333 -6.220 4.727 1.00 0.00 N ATOM 1708 CA ASP B 21 5.438 -6.757 3.383 1.00 0.00 C ATOM 1709 C ASP B 21 5.935 -5.717 2.379 1.00 0.00 C ATOM 1710 O ASP B 21 6.779 -6.016 1.539 1.00 0.00 O ATOM 1711 CB ASP B 21 4.065 -7.271 2.946 1.00 0.00 C ATOM 1712 CG ASP B 21 3.675 -8.489 3.780 1.00 0.00 C ATOM 1713 OD1 ASP B 21 4.536 -9.013 4.467 1.00 0.00 O ATOM 1714 OD2 ASP B 21 2.519 -8.873 3.724 1.00 0.00 O ATOM 0 H ASP B 21 4.383 -6.195 5.099 1.00 0.00 H new ATOM 0 HA ASP B 21 6.168 -7.566 3.401 1.00 0.00 H new ATOM 0 HB2 ASP B 21 3.319 -6.485 3.064 1.00 0.00 H new ATOM 0 HB3 ASP B 21 4.086 -7.535 1.889 1.00 0.00 H new ATOM 1719 N LEU B 22 5.374 -4.515 2.428 1.00 0.00 N ATOM 1720 CA LEU B 22 5.735 -3.479 1.462 1.00 0.00 C ATOM 1721 C LEU B 22 7.231 -3.448 1.143 1.00 0.00 C ATOM 1722 O LEU B 22 7.622 -3.718 0.007 1.00 0.00 O ATOM 1723 CB LEU B 22 5.310 -2.103 1.974 1.00 0.00 C ATOM 1724 CG LEU B 22 3.821 -2.100 2.344 1.00 0.00 C ATOM 1725 CD1 LEU B 22 3.391 -0.676 2.741 1.00 0.00 C ATOM 1726 CD2 LEU B 22 2.968 -2.576 1.152 1.00 0.00 C ATOM 0 H LEU B 22 4.676 -4.233 3.116 1.00 0.00 H new ATOM 0 HA LEU B 22 5.206 -3.727 0.542 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.907 -1.833 2.845 1.00 0.00 H new ATOM 0 HB3 LEU B 22 5.502 -1.350 1.210 1.00 0.00 H new ATOM 0 HG LEU B 22 3.669 -2.780 3.182 1.00 0.00 H new ATOM 0 HD11 LEU B 22 2.333 -0.675 3.004 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.978 -0.344 3.598 1.00 0.00 H new ATOM 0 HD13 LEU B 22 3.557 0.001 1.903 1.00 0.00 H new ATOM 0 HD21 LEU B 22 1.915 -2.568 1.432 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.123 -1.909 0.304 1.00 0.00 H new ATOM 0 HD23 LEU B 22 3.262 -3.589 0.876 1.00 0.00 H new ATOM 1738 N TRP B 23 8.070 -3.059 2.107 1.00 0.00 N ATOM 1739 CA TRP B 23 9.514 -2.943 1.828 1.00 0.00 C ATOM 1740 C TRP B 23 10.312 -4.237 2.085 1.00 0.00 C ATOM 1741 O TRP B 23 11.450 -4.345 1.626 1.00 0.00 O ATOM 1742 CB TRP B 23 10.124 -1.758 2.615 1.00 0.00 C ATOM 1743 CG TRP B 23 10.706 -2.223 3.911 1.00 0.00 C ATOM 1744 CD1 TRP B 23 12.017 -2.453 4.149 1.00 0.00 C ATOM 1745 CD2 TRP B 23 10.009 -2.519 5.142 1.00 0.00 C ATOM 1746 NE1 TRP B 23 12.164 -2.880 5.457 1.00 0.00 N ATOM 1747 CE2 TRP B 23 10.950 -2.938 6.110 1.00 0.00 C ATOM 1748 CE3 TRP B 23 8.661 -2.466 5.502 1.00 0.00 C ATOM 1749 CZ2 TRP B 23 10.555 -3.297 7.399 1.00 0.00 C ATOM 1750 CZ3 TRP B 23 8.256 -2.826 6.788 1.00 0.00 C ATOM 1751 CH2 TRP B 23 9.200 -3.245 7.738 1.00 0.00 C ATOM 0 H TRP B 23 7.792 -2.824 3.060 1.00 0.00 H new ATOM 0 HA TRP B 23 9.597 -2.754 0.758 1.00 0.00 H new ATOM 0 HB2 TRP B 23 10.897 -1.278 2.016 1.00 0.00 H new ATOM 0 HB3 TRP B 23 9.356 -1.008 2.805 1.00 0.00 H new ATOM 0 HD1 TRP B 23 12.818 -2.325 3.436 1.00 0.00 H new ATOM 0 HE1 TRP B 23 13.058 -3.122 5.885 1.00 0.00 H new ATOM 0 HE3 TRP B 23 7.926 -2.144 4.779 1.00 0.00 H new ATOM 0 HZ2 TRP B 23 11.288 -3.612 8.127 1.00 0.00 H new ATOM 0 HZ3 TRP B 23 7.210 -2.782 7.054 1.00 0.00 H new ATOM 0 HH2 TRP B 23 8.880 -3.527 8.730 1.00 0.00 H new ATOM 1762 N LYS B 24 9.758 -5.210 2.822 1.00 0.00 N ATOM 1763 CA LYS B 24 10.517 -6.445 3.103 1.00 0.00 C ATOM 1764 C LYS B 24 10.278 -7.546 2.059 1.00 0.00 C ATOM 1765 O LYS B 24 11.033 -8.519 2.016 1.00 0.00 O ATOM 1766 CB LYS B 24 10.201 -6.993 4.503 1.00 0.00 C ATOM 1767 CG LYS B 24 10.549 -5.938 5.567 1.00 0.00 C ATOM 1768 CD LYS B 24 10.636 -6.577 6.971 1.00 0.00 C ATOM 1769 CE LYS B 24 9.237 -6.745 7.588 1.00 0.00 C ATOM 1770 NZ LYS B 24 9.204 -8.003 8.387 1.00 0.00 N ATOM 0 H LYS B 24 8.821 -5.175 3.224 1.00 0.00 H new ATOM 0 HA LYS B 24 11.568 -6.160 3.053 1.00 0.00 H new ATOM 0 HB2 LYS B 24 9.145 -7.256 4.571 1.00 0.00 H new ATOM 0 HB3 LYS B 24 10.769 -7.905 4.683 1.00 0.00 H new ATOM 0 HG2 LYS B 24 11.499 -5.466 5.319 1.00 0.00 H new ATOM 0 HG3 LYS B 24 9.793 -5.153 5.567 1.00 0.00 H new ATOM 0 HD2 LYS B 24 11.126 -7.548 6.903 1.00 0.00 H new ATOM 0 HD3 LYS B 24 11.251 -5.954 7.620 1.00 0.00 H new ATOM 0 HE2 LYS B 24 9.001 -5.891 8.222 1.00 0.00 H new ATOM 0 HE3 LYS B 24 8.481 -6.778 6.803 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 8.228 -8.358 8.435 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 9.810 -8.717 7.935 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 9.551 -7.813 9.349 1.00 0.00 H new ATOM 1784 N LEU B 25 9.258 -7.402 1.210 1.00 0.00 N ATOM 1785 CA LEU B 25 8.987 -8.410 0.171 1.00 0.00 C ATOM 1786 C LEU B 25 9.494 -7.925 -1.190 1.00 0.00 C ATOM 1787 O LEU B 25 8.961 -8.301 -2.233 1.00 0.00 O ATOM 1788 CB LEU B 25 7.484 -8.718 0.090 1.00 0.00 C ATOM 1789 CG LEU B 25 7.055 -9.693 1.204 1.00 0.00 C ATOM 1790 CD1 LEU B 25 5.531 -9.934 1.122 1.00 0.00 C ATOM 1791 CD2 LEU B 25 7.801 -11.040 1.062 1.00 0.00 C ATOM 0 H LEU B 25 8.613 -6.612 1.216 1.00 0.00 H new ATOM 0 HA LEU B 25 9.516 -9.324 0.441 1.00 0.00 H new ATOM 0 HB2 LEU B 25 6.915 -7.792 0.174 1.00 0.00 H new ATOM 0 HB3 LEU B 25 7.250 -9.148 -0.884 1.00 0.00 H new ATOM 0 HG LEU B 25 7.306 -9.254 2.170 1.00 0.00 H new ATOM 0 HD11 LEU B 25 5.229 -10.624 1.910 1.00 0.00 H new ATOM 0 HD12 LEU B 25 5.006 -8.987 1.247 1.00 0.00 H new ATOM 0 HD13 LEU B 25 5.282 -10.361 0.151 1.00 0.00 H new ATOM 0 HD21 LEU B 25 7.486 -11.716 1.857 1.00 0.00 H new ATOM 0 HD22 LEU B 25 7.569 -11.484 0.094 1.00 0.00 H new ATOM 0 HD23 LEU B 25 8.875 -10.870 1.135 1.00 0.00 H new ATOM 1803 N LEU B 26 10.537 -7.106 -1.168 1.00 0.00 N ATOM 1804 CA LEU B 26 11.127 -6.584 -2.392 1.00 0.00 C ATOM 1805 C LEU B 26 11.929 -7.695 -3.099 1.00 0.00 C ATOM 1806 O LEU B 26 12.870 -8.243 -2.531 1.00 0.00 O ATOM 1807 CB LEU B 26 11.954 -5.318 -2.040 1.00 0.00 C ATOM 1808 CG LEU B 26 13.470 -5.601 -1.857 1.00 0.00 C ATOM 1809 CD1 LEU B 26 14.270 -4.829 -2.899 1.00 0.00 C ATOM 1810 CD2 LEU B 26 13.934 -5.157 -0.463 1.00 0.00 C ATOM 0 H LEU B 26 10.993 -6.788 -0.313 1.00 0.00 H new ATOM 0 HA LEU B 26 10.366 -6.274 -3.108 1.00 0.00 H new ATOM 0 HB2 LEU B 26 11.823 -4.577 -2.829 1.00 0.00 H new ATOM 0 HB3 LEU B 26 11.561 -4.880 -1.123 1.00 0.00 H new ATOM 0 HG LEU B 26 13.633 -6.672 -1.974 1.00 0.00 H new ATOM 0 HD11 LEU B 26 15.333 -5.032 -2.765 1.00 0.00 H new ATOM 0 HD12 LEU B 26 13.964 -5.141 -3.897 1.00 0.00 H new ATOM 0 HD13 LEU B 26 14.087 -3.761 -2.781 1.00 0.00 H new ATOM 0 HD21 LEU B 26 14.999 -5.362 -0.351 1.00 0.00 H new ATOM 0 HD22 LEU B 26 13.756 -4.088 -0.344 1.00 0.00 H new ATOM 0 HD23 LEU B 26 13.377 -5.705 0.297 1.00 0.00 H new ATOM 1822 N PRO B 27 11.573 -8.082 -4.307 1.00 0.00 N ATOM 1823 CA PRO B 27 12.321 -9.150 -5.008 1.00 0.00 C ATOM 1824 C PRO B 27 13.794 -8.775 -5.118 1.00 0.00 C ATOM 1825 O PRO B 27 14.665 -9.458 -4.580 1.00 0.00 O ATOM 1826 CB PRO B 27 11.672 -9.257 -6.405 1.00 0.00 C ATOM 1827 CG PRO B 27 10.397 -8.473 -6.350 1.00 0.00 C ATOM 1828 CD PRO B 27 10.457 -7.567 -5.112 1.00 0.00 C ATOM 0 HA PRO B 27 12.278 -10.100 -4.476 1.00 0.00 H new ATOM 0 HB2 PRO B 27 12.337 -8.860 -7.172 1.00 0.00 H new ATOM 0 HB3 PRO B 27 11.475 -10.298 -6.661 1.00 0.00 H new ATOM 0 HG2 PRO B 27 10.276 -7.877 -7.254 1.00 0.00 H new ATOM 0 HG3 PRO B 27 9.539 -9.143 -6.292 1.00 0.00 H new ATOM 0 HD2 PRO B 27 10.622 -6.527 -5.394 1.00 0.00 H new ATOM 0 HD3 PRO B 27 9.521 -7.601 -4.554 1.00 0.00 H new ATOM 1836 N GLU B 28 14.056 -7.698 -5.860 1.00 0.00 N ATOM 1837 CA GLU B 28 15.425 -7.246 -6.097 1.00 0.00 C ATOM 1838 C GLU B 28 15.645 -5.797 -5.677 1.00 0.00 C ATOM 1839 O GLU B 28 14.898 -4.913 -6.089 1.00 0.00 O ATOM 1840 CB GLU B 28 15.718 -7.360 -7.592 1.00 0.00 C ATOM 1841 CG GLU B 28 15.579 -8.818 -8.020 1.00 0.00 C ATOM 1842 CD GLU B 28 15.579 -8.917 -9.544 1.00 0.00 C ATOM 1843 OE1 GLU B 28 15.769 -7.896 -10.185 1.00 0.00 O ATOM 1844 OE2 GLU B 28 15.390 -10.012 -10.047 1.00 0.00 O ATOM 0 H GLU B 28 13.339 -7.125 -6.305 1.00 0.00 H new ATOM 0 HA GLU B 28 16.089 -7.871 -5.500 1.00 0.00 H new ATOM 0 HB2 GLU B 28 15.028 -6.735 -8.159 1.00 0.00 H new ATOM 0 HB3 GLU B 28 16.724 -7.000 -7.806 1.00 0.00 H new ATOM 0 HG2 GLU B 28 16.400 -9.406 -7.609 1.00 0.00 H new ATOM 0 HG3 GLU B 28 14.655 -9.237 -7.620 1.00 0.00 H new ATOM 1851 N ASN B 29 16.716 -5.572 -4.900 1.00 0.00 N ATOM 1852 CA ASN B 29 17.121 -4.226 -4.452 1.00 0.00 C ATOM 1853 C ASN B 29 16.373 -3.154 -5.221 1.00 0.00 C ATOM 1854 O ASN B 29 16.782 -2.744 -6.304 1.00 0.00 O ATOM 1855 CB ASN B 29 18.628 -4.022 -4.631 1.00 0.00 C ATOM 1856 CG ASN B 29 19.040 -2.697 -3.996 1.00 0.00 C ATOM 1857 OD1 ASN B 29 18.187 -1.942 -3.531 1.00 0.00 O ATOM 1858 ND2 ASN B 29 20.301 -2.371 -3.940 1.00 0.00 N ATOM 0 H ASN B 29 17.327 -6.316 -4.564 1.00 0.00 H new ATOM 0 HA ASN B 29 16.874 -4.144 -3.394 1.00 0.00 H new ATOM 0 HB2 ASN B 29 19.175 -4.844 -4.170 1.00 0.00 H new ATOM 0 HB3 ASN B 29 18.883 -4.025 -5.691 1.00 0.00 H new ATOM 0 HD21 ASN B 29 20.581 -1.489 -3.510 1.00 0.00 H new ATOM 0 HD22 ASN B 29 21.007 -2.998 -4.326 1.00 0.00 H new ATOM 1865 N ASN B 30 15.250 -2.753 -4.639 1.00 0.00 N ATOM 1866 CA ASN B 30 14.351 -1.759 -5.216 1.00 0.00 C ATOM 1867 C ASN B 30 15.026 -0.929 -6.303 1.00 0.00 C ATOM 1868 O ASN B 30 16.152 -0.461 -6.142 1.00 0.00 O ATOM 1869 CB ASN B 30 13.827 -0.837 -4.110 1.00 0.00 C ATOM 1870 CG ASN B 30 12.767 -1.559 -3.280 1.00 0.00 C ATOM 1871 OD1 ASN B 30 11.945 -2.294 -3.826 1.00 0.00 O ATOM 1872 ND2 ASN B 30 12.738 -1.394 -1.985 1.00 0.00 N ATOM 0 H ASN B 30 14.932 -3.114 -3.739 1.00 0.00 H new ATOM 0 HA ASN B 30 13.524 -2.295 -5.683 1.00 0.00 H new ATOM 0 HB2 ASN B 30 14.650 -0.523 -3.468 1.00 0.00 H new ATOM 0 HB3 ASN B 30 13.403 0.066 -4.550 1.00 0.00 H new ATOM 0 HD21 ASN B 30 12.034 -1.875 -1.425 1.00 0.00 H new ATOM 0 HD22 ASN B 30 13.420 -0.785 -1.533 1.00 0.00 H new ATOM 1879 N VAL B 31 14.316 -0.767 -7.415 1.00 0.00 N ATOM 1880 CA VAL B 31 14.831 -0.007 -8.556 1.00 0.00 C ATOM 1881 C VAL B 31 14.190 1.378 -8.594 1.00 0.00 C ATOM 1882 O VAL B 31 12.980 1.519 -8.412 1.00 0.00 O ATOM 1883 CB VAL B 31 14.560 -0.764 -9.868 1.00 0.00 C ATOM 1884 CG1 VAL B 31 14.961 0.100 -11.065 1.00 0.00 C ATOM 1885 CG2 VAL B 31 15.385 -2.052 -9.872 1.00 0.00 C ATOM 0 H VAL B 31 13.381 -1.151 -7.553 1.00 0.00 H new ATOM 0 HA VAL B 31 15.909 0.111 -8.444 1.00 0.00 H new ATOM 0 HB VAL B 31 13.498 -0.997 -9.941 1.00 0.00 H new ATOM 0 HG11 VAL B 31 14.765 -0.445 -11.989 1.00 0.00 H new ATOM 0 HG12 VAL B 31 14.381 1.023 -11.058 1.00 0.00 H new ATOM 0 HG13 VAL B 31 16.023 0.338 -11.002 1.00 0.00 H new ATOM 0 HG21 VAL B 31 15.202 -2.598 -10.797 1.00 0.00 H new ATOM 0 HG22 VAL B 31 16.444 -1.806 -9.799 1.00 0.00 H new ATOM 0 HG23 VAL B 31 15.097 -2.671 -9.022 1.00 0.00 H new ATOM 1895 N LEU B 32 15.016 2.400 -8.817 1.00 0.00 N ATOM 1896 CA LEU B 32 14.539 3.779 -8.863 1.00 0.00 C ATOM 1897 C LEU B 32 14.265 4.206 -10.299 1.00 0.00 C ATOM 1898 O LEU B 32 13.645 5.242 -10.529 1.00 0.00 O ATOM 1899 CB LEU B 32 15.595 4.708 -8.258 1.00 0.00 C ATOM 1900 CG LEU B 32 15.825 4.365 -6.776 1.00 0.00 C ATOM 1901 CD1 LEU B 32 17.081 5.092 -6.285 1.00 0.00 C ATOM 1902 CD2 LEU B 32 14.618 4.801 -5.925 1.00 0.00 C ATOM 0 H LEU B 32 16.019 2.297 -8.969 1.00 0.00 H new ATOM 0 HA LEU B 32 13.613 3.843 -8.292 1.00 0.00 H new ATOM 0 HB2 LEU B 32 16.531 4.613 -8.809 1.00 0.00 H new ATOM 0 HB3 LEU B 32 15.273 5.745 -8.352 1.00 0.00 H new ATOM 0 HG LEU B 32 15.950 3.287 -6.677 1.00 0.00 H new ATOM 0 HD11 LEU B 32 17.252 4.855 -5.235 1.00 0.00 H new ATOM 0 HD12 LEU B 32 17.940 4.772 -6.874 1.00 0.00 H new ATOM 0 HD13 LEU B 32 16.946 6.168 -6.396 1.00 0.00 H new ATOM 0 HD21 LEU B 32 14.800 4.550 -4.880 1.00 0.00 H new ATOM 0 HD22 LEU B 32 14.476 5.877 -6.020 1.00 0.00 H new ATOM 0 HD23 LEU B 32 13.723 4.285 -6.272 1.00 0.00 H new ATOM 1914 N SER B 33 14.741 3.402 -11.258 1.00 0.00 N ATOM 1915 CA SER B 33 14.554 3.694 -12.684 1.00 0.00 C ATOM 1916 C SER B 33 13.303 4.547 -12.918 1.00 0.00 C ATOM 1917 O SER B 33 12.204 4.007 -13.037 1.00 0.00 O ATOM 1918 CB SER B 33 14.416 2.380 -13.455 1.00 0.00 C ATOM 1919 OG SER B 33 14.419 2.651 -14.850 1.00 0.00 O ATOM 0 H SER B 33 15.259 2.543 -11.072 1.00 0.00 H new ATOM 0 HA SER B 33 15.422 4.252 -13.035 1.00 0.00 H new ATOM 0 HB2 SER B 33 15.236 1.709 -13.202 1.00 0.00 H new ATOM 0 HB3 SER B 33 13.492 1.875 -13.173 1.00 0.00 H new ATOM 0 HG SER B 33 14.332 1.811 -15.347 1.00 0.00 H new ATOM 1925 N PRO B 34 13.427 5.856 -12.960 1.00 0.00 N ATOM 1926 CA PRO B 34 12.250 6.751 -13.151 1.00 0.00 C ATOM 1927 C PRO B 34 11.755 6.745 -14.593 1.00 0.00 C ATOM 1928 O PRO B 34 12.517 6.470 -15.520 1.00 0.00 O ATOM 1929 CB PRO B 34 12.777 8.128 -12.728 1.00 0.00 C ATOM 1930 CG PRO B 34 14.237 8.089 -13.045 1.00 0.00 C ATOM 1931 CD PRO B 34 14.682 6.632 -12.847 1.00 0.00 C ATOM 0 HA PRO B 34 11.383 6.436 -12.570 1.00 0.00 H new ATOM 0 HB2 PRO B 34 12.275 8.928 -13.272 1.00 0.00 H new ATOM 0 HB3 PRO B 34 12.607 8.308 -11.667 1.00 0.00 H new ATOM 0 HG2 PRO B 34 14.422 8.416 -14.068 1.00 0.00 H new ATOM 0 HG3 PRO B 34 14.795 8.758 -12.390 1.00 0.00 H new ATOM 0 HD2 PRO B 34 15.407 6.330 -13.602 1.00 0.00 H new ATOM 0 HD3 PRO B 34 15.155 6.487 -11.875 1.00 0.00 H new ATOM 1939 N LEU B 35 10.471 7.047 -14.772 1.00 0.00 N ATOM 1940 CA LEU B 35 9.870 7.076 -16.104 1.00 0.00 C ATOM 1941 C LEU B 35 9.700 8.521 -16.577 1.00 0.00 C ATOM 1942 O LEU B 35 9.400 9.404 -15.774 1.00 0.00 O ATOM 1943 CB LEU B 35 8.500 6.389 -16.071 1.00 0.00 C ATOM 1944 CG LEU B 35 8.608 5.039 -15.353 1.00 0.00 C ATOM 1945 CD1 LEU B 35 7.231 4.369 -15.326 1.00 0.00 C ATOM 1946 CD2 LEU B 35 9.606 4.133 -16.090 1.00 0.00 C ATOM 0 H LEU B 35 9.828 7.275 -14.014 1.00 0.00 H new ATOM 0 HA LEU B 35 10.528 6.548 -16.795 1.00 0.00 H new ATOM 0 HB2 LEU B 35 7.777 7.025 -15.560 1.00 0.00 H new ATOM 0 HB3 LEU B 35 8.133 6.242 -17.087 1.00 0.00 H new ATOM 0 HG LEU B 35 8.958 5.200 -14.333 1.00 0.00 H new ATOM 0 HD11 LEU B 35 7.304 3.408 -14.816 1.00 0.00 H new ATOM 0 HD12 LEU B 35 6.525 5.009 -14.796 1.00 0.00 H new ATOM 0 HD13 LEU B 35 6.882 4.212 -16.347 1.00 0.00 H new ATOM 0 HD21 LEU B 35 9.678 3.175 -15.574 1.00 0.00 H new ATOM 0 HD22 LEU B 35 9.263 3.970 -17.112 1.00 0.00 H new ATOM 0 HD23 LEU B 35 10.586 4.610 -16.108 1.00 0.00 H new ATOM 1958 N PRO B 36 9.874 8.786 -17.851 1.00 0.00 N ATOM 1959 CA PRO B 36 9.720 10.165 -18.403 1.00 0.00 C ATOM 1960 C PRO B 36 8.254 10.590 -18.441 1.00 0.00 C ATOM 1961 O PRO B 36 7.367 9.742 -18.527 1.00 0.00 O ATOM 1962 CB PRO B 36 10.313 10.050 -19.813 1.00 0.00 C ATOM 1963 CG PRO B 36 10.078 8.626 -20.202 1.00 0.00 C ATOM 1964 CD PRO B 36 10.227 7.818 -18.909 1.00 0.00 C ATOM 0 HA PRO B 36 10.216 10.924 -17.798 1.00 0.00 H new ATOM 0 HB2 PRO B 36 9.826 10.736 -20.506 1.00 0.00 H new ATOM 0 HB3 PRO B 36 11.376 10.293 -19.818 1.00 0.00 H new ATOM 0 HG2 PRO B 36 9.086 8.496 -20.634 1.00 0.00 H new ATOM 0 HG3 PRO B 36 10.798 8.301 -20.953 1.00 0.00 H new ATOM 0 HD2 PRO B 36 9.564 6.953 -18.898 1.00 0.00 H new ATOM 0 HD3 PRO B 36 11.243 7.442 -18.786 1.00 0.00 H new ATOM 1972 N SER B 37 8.020 11.905 -18.361 1.00 0.00 N ATOM 1973 CA SER B 37 6.664 12.476 -18.373 1.00 0.00 C ATOM 1974 C SER B 37 5.624 11.458 -18.828 1.00 0.00 C ATOM 1975 O SER B 37 5.271 11.401 -20.005 1.00 0.00 O ATOM 1976 CB SER B 37 6.627 13.685 -19.306 1.00 0.00 C ATOM 1977 OG SER B 37 7.502 14.688 -18.810 1.00 0.00 O ATOM 0 H SER B 37 8.760 12.603 -18.286 1.00 0.00 H new ATOM 0 HA SER B 37 6.420 12.775 -17.354 1.00 0.00 H new ATOM 0 HB2 SER B 37 6.925 13.391 -20.312 1.00 0.00 H new ATOM 0 HB3 SER B 37 5.611 14.074 -19.375 1.00 0.00 H new ATOM 0 HG SER B 37 7.482 15.464 -19.408 1.00 0.00 H new ATOM 1983 N GLN B 38 5.151 10.646 -17.887 1.00 0.00 N ATOM 1984 CA GLN B 38 4.164 9.617 -18.196 1.00 0.00 C ATOM 1985 C GLN B 38 2.753 10.107 -17.880 1.00 0.00 C ATOM 1986 O GLN B 38 1.791 9.730 -18.548 1.00 0.00 O ATOM 1987 CB GLN B 38 4.469 8.354 -17.382 1.00 0.00 C ATOM 1988 CG GLN B 38 3.569 7.199 -17.834 1.00 0.00 C ATOM 1989 CD GLN B 38 3.918 6.791 -19.262 1.00 0.00 C ATOM 1990 OE1 GLN B 38 5.093 6.741 -19.624 1.00 0.00 O ATOM 1991 NE2 GLN B 38 2.961 6.499 -20.098 1.00 0.00 N ATOM 0 H GLN B 38 5.434 10.680 -16.908 1.00 0.00 H new ATOM 0 HA GLN B 38 4.219 9.390 -19.261 1.00 0.00 H new ATOM 0 HB2 GLN B 38 5.516 8.078 -17.506 1.00 0.00 H new ATOM 0 HB3 GLN B 38 4.314 8.551 -16.321 1.00 0.00 H new ATOM 0 HG2 GLN B 38 3.692 6.348 -17.164 1.00 0.00 H new ATOM 0 HG3 GLN B 38 2.523 7.500 -17.779 1.00 0.00 H new ATOM 0 HE21 GLN B 38 1.988 6.541 -19.795 1.00 0.00 H new ATOM 0 HE22 GLN B 38 3.185 6.228 -21.055 1.00 0.00 H new ATOM 2000 N ALA B 39 2.637 10.954 -16.859 1.00 0.00 N ATOM 2001 CA ALA B 39 1.339 11.498 -16.459 1.00 0.00 C ATOM 2002 C ALA B 39 1.181 12.929 -16.962 1.00 0.00 C ATOM 2003 O ALA B 39 0.126 13.501 -16.744 1.00 0.00 O ATOM 2004 CB ALA B 39 1.215 11.475 -14.935 1.00 0.00 C ATOM 2005 OXT ALA B 39 2.120 13.433 -17.558 1.00 0.00 O ATOM 0 H ALA B 39 3.423 11.278 -16.295 1.00 0.00 H new ATOM 0 HA ALA B 39 0.554 10.882 -16.898 1.00 0.00 H new ATOM 0 HB1 ALA B 39 0.247 11.881 -14.643 1.00 0.00 H new ATOM 0 HB2 ALA B 39 1.301 10.449 -14.578 1.00 0.00 H new ATOM 0 HB3 ALA B 39 2.009 12.079 -14.496 1.00 0.00 H new TER 2011 ALA B 39