USER MOD reduce.3.24.130724 H: found=0, std=0, add=1210, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1202 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 THR OG1 : rot -101:sc= -1.37 USER MOD Set 1.2: B 71 GLN : amide:sc= -5.15! C(o=-6.5!,f=-5.2!) USER MOD Set 2.1: A 7 MET CE :methyl -174:sc= -7.69! (180deg=-7.06!) USER MOD Set 2.2: A 74 MET CE :methyl -121:sc= -5.96! (180deg=-6.09!) USER MOD Set 2.3: A 78 SER OG : rot 80:sc= 0.712 USER MOD Set 2.4: A 81 THR OG1 : rot 82:sc= 0.312! USER MOD Set 2.5: B 7 MET CE :methyl -176:sc= -7.66! (180deg=-7.01!) USER MOD Set 2.6: B 74 MET CE :methyl -118:sc= -6.03! (180deg=-6.05!) USER MOD Set 2.7: B 78 SER OG : rot 80:sc= 0.727 USER MOD Set 2.8: B 81 THR OG1 : rot 85:sc= 0.245! USER MOD Set 3.1: A 71 GLN : amide:sc= -5.08! C(o=-6.4!,f=-4.9!) USER MOD Set 3.2: B 82 THR OG1 : rot -98:sc= -1.37 USER MOD Single : A 1 SER N :NH3+ -124:sc= 0.129 (180deg=0) USER MOD Single : A 1 SER OG : rot -159:sc= 0.592 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 TYR OH : rot 3:sc= 0.0202 USER MOD Single : A 18 SER OG : rot 119:sc= 0.716 USER MOD Single : A 25 HIS : no HD1:sc= -1.96! C(o=-2!,f=-3.6!) USER MOD Single : A 26 LYS NZ :NH3+ -177:sc= 1.04 (180deg=1.03) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -132:sc= -0.103 (180deg=-1.75) USER MOD Single : A 30 SER OG : rot 180:sc= 0.086 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.748 X(o=-0.75,f=-0.72) USER MOD Single : A 38 ASN : amide:sc= -0.0361 K(o=-0.036,f=-1.3!) USER MOD Single : A 41 SER OG : rot -57:sc= 1.18 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.18 X(o=-0.18,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 163:sc=-0.00109 (180deg=-0.126) USER MOD Single : A 57 MET CE :methyl -149:sc= -1.19 (180deg=-3.21!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0209 USER MOD Single : A 68 CYS SG : rot 10:sc= -0.978 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 SER N :NH3+ -127:sc= 0.14 (180deg=0) USER MOD Single : B 1 SER OG : rot -155:sc= 0.586 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 17 TYR OH : rot 4:sc= 0.0197 USER MOD Single : B 18 SER OG : rot 119:sc= 0.797 USER MOD Single : B 25 HIS : no HD1:sc= -2.16! C(o=-2.2!,f=-3.8!) USER MOD Single : B 26 LYS NZ :NH3+ -176:sc= 1.03 (180deg=1.02) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ -130:sc= -0.0719 (180deg=-1.77) USER MOD Single : B 30 SER OG : rot 180:sc= 0.088 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 ASN : amide:sc= -0.812 X(o=-0.81,f=-0.74) USER MOD Single : B 38 ASN : amide:sc= -0.0408 K(o=-0.041,f=-1.3!) USER MOD Single : B 41 SER OG : rot -64:sc= 1.2 USER MOD Single : B 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : B 55 LYS NZ :NH3+ 163:sc=-0.00567 (180deg=-0.132) USER MOD Single : B 57 MET CE :methyl -154:sc= -1.1! (180deg=-3.2!) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0.00802 USER MOD Single : B 68 CYS SG : rot 10:sc= -0.983 USER MOD Single : B 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 1 8.298 2.187 -13.501 1.00 0.00 N ATOM 21 CA SER A 1 8.365 0.844 -12.860 1.00 0.00 C ATOM 22 C SER A 1 7.001 0.492 -12.263 1.00 0.00 C ATOM 23 O SER A 1 6.077 1.280 -12.290 1.00 0.00 O ATOM 24 CB SER A 1 9.416 0.858 -11.752 1.00 0.00 C ATOM 25 OG SER A 1 9.156 1.942 -10.870 1.00 0.00 O ATOM 0 H1 SER A 1 8.592 2.112 -14.496 1.00 0.00 H new ATOM 0 H2 SER A 1 7.323 2.546 -13.454 1.00 0.00 H new ATOM 0 H3 SER A 1 8.932 2.842 -13.001 1.00 0.00 H new ATOM 0 HA SER A 1 8.636 0.100 -13.609 1.00 0.00 H new ATOM 0 HB2 SER A 1 9.396 -0.084 -11.204 1.00 0.00 H new ATOM 0 HB3 SER A 1 10.413 0.955 -12.182 1.00 0.00 H new ATOM 0 HG SER A 1 9.973 2.167 -10.379 1.00 0.00 H new ATOM 31 N GLU A 2 6.872 -0.690 -11.724 1.00 0.00 N ATOM 32 CA GLU A 2 5.571 -1.099 -11.125 1.00 0.00 C ATOM 33 C GLU A 2 5.358 -0.355 -9.806 1.00 0.00 C ATOM 34 O GLU A 2 4.258 0.027 -9.471 1.00 0.00 O ATOM 35 CB GLU A 2 5.586 -2.606 -10.859 1.00 0.00 C ATOM 36 CG GLU A 2 6.227 -3.330 -12.045 1.00 0.00 C ATOM 37 CD GLU A 2 5.575 -2.856 -13.345 1.00 0.00 C ATOM 38 OE1 GLU A 2 4.417 -3.174 -13.555 1.00 0.00 O ATOM 39 OE2 GLU A 2 6.248 -2.182 -14.110 1.00 0.00 O ATOM 0 H GLU A 2 7.612 -1.390 -11.673 1.00 0.00 H new ATOM 0 HA GLU A 2 4.762 -0.856 -11.814 1.00 0.00 H new ATOM 0 HB2 GLU A 2 6.142 -2.819 -9.946 1.00 0.00 H new ATOM 0 HB3 GLU A 2 4.570 -2.968 -10.705 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.299 -3.132 -12.070 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.105 -4.408 -11.936 1.00 0.00 H new ATOM 46 N LEU A 3 6.401 -0.154 -9.050 1.00 0.00 N ATOM 47 CA LEU A 3 6.253 0.557 -7.749 1.00 0.00 C ATOM 48 C LEU A 3 5.912 2.028 -7.985 1.00 0.00 C ATOM 49 O LEU A 3 5.096 2.603 -7.297 1.00 0.00 O ATOM 50 CB LEU A 3 7.567 0.473 -6.976 1.00 0.00 C ATOM 51 CG LEU A 3 7.277 0.488 -5.475 1.00 0.00 C ATOM 52 CD1 LEU A 3 6.836 -0.907 -5.029 1.00 0.00 C ATOM 53 CD2 LEU A 3 8.544 0.896 -4.717 1.00 0.00 C ATOM 0 H LEU A 3 7.350 -0.451 -9.277 1.00 0.00 H new ATOM 0 HA LEU A 3 5.450 0.088 -7.181 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.102 -0.438 -7.245 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.212 1.311 -7.241 1.00 0.00 H new ATOM 0 HG LEU A 3 6.482 1.203 -5.262 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.629 -0.898 -3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.935 -1.194 -5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.630 -1.624 -5.239 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.340 0.907 -3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.340 0.181 -4.927 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.856 1.890 -5.038 1.00 0.00 H new ATOM 65 N GLU A 4 6.543 2.648 -8.937 1.00 0.00 N ATOM 66 CA GLU A 4 6.270 4.090 -9.198 1.00 0.00 C ATOM 67 C GLU A 4 4.890 4.270 -9.840 1.00 0.00 C ATOM 68 O GLU A 4 4.020 4.914 -9.289 1.00 0.00 O ATOM 69 CB GLU A 4 7.342 4.644 -10.137 1.00 0.00 C ATOM 70 CG GLU A 4 6.936 6.040 -10.616 1.00 0.00 C ATOM 71 CD GLU A 4 6.750 6.022 -12.134 1.00 0.00 C ATOM 72 OE1 GLU A 4 7.577 5.429 -12.804 1.00 0.00 O ATOM 73 OE2 GLU A 4 5.784 6.602 -12.598 1.00 0.00 O ATOM 0 H GLU A 4 7.238 2.220 -9.549 1.00 0.00 H new ATOM 0 HA GLU A 4 6.288 4.629 -8.250 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.302 4.690 -9.622 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.470 3.979 -10.991 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.011 6.349 -10.129 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.700 6.767 -10.341 1.00 0.00 H new ATOM 80 N LYS A 5 4.688 3.730 -11.007 1.00 0.00 N ATOM 81 CA LYS A 5 3.371 3.895 -11.688 1.00 0.00 C ATOM 82 C LYS A 5 2.244 3.296 -10.840 1.00 0.00 C ATOM 83 O LYS A 5 1.150 3.821 -10.798 1.00 0.00 O ATOM 84 CB LYS A 5 3.411 3.197 -13.048 1.00 0.00 C ATOM 85 CG LYS A 5 3.366 1.680 -12.847 1.00 0.00 C ATOM 86 CD LYS A 5 3.940 0.985 -14.082 1.00 0.00 C ATOM 87 CE LYS A 5 2.801 0.595 -15.027 1.00 0.00 C ATOM 88 NZ LYS A 5 3.364 -0.052 -16.245 1.00 0.00 N ATOM 0 H LYS A 5 5.377 3.181 -11.521 1.00 0.00 H new ATOM 0 HA LYS A 5 3.178 4.959 -11.822 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.567 3.519 -13.658 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.317 3.476 -13.585 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.938 1.403 -11.962 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.339 1.355 -12.678 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.639 1.647 -14.593 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.500 0.098 -13.785 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.115 -0.087 -14.524 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.226 1.479 -15.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.590 -0.317 -16.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.002 0.613 -16.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.894 -0.904 -15.972 1.00 0.00 H new ATOM 102 N ALA A 6 2.487 2.200 -10.176 1.00 0.00 N ATOM 103 CA ALA A 6 1.407 1.577 -9.353 1.00 0.00 C ATOM 104 C ALA A 6 1.276 2.304 -8.011 1.00 0.00 C ATOM 105 O ALA A 6 0.237 2.843 -7.692 1.00 0.00 O ATOM 106 CB ALA A 6 1.735 0.104 -9.103 1.00 0.00 C ATOM 0 H ALA A 6 3.381 1.709 -10.166 1.00 0.00 H new ATOM 0 HA ALA A 6 0.464 1.656 -9.894 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.945 -0.348 -8.502 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.810 -0.419 -10.056 1.00 0.00 H new ATOM 0 HB3 ALA A 6 2.684 0.028 -8.572 1.00 0.00 H new ATOM 112 N MET A 7 2.313 2.321 -7.221 1.00 0.00 N ATOM 113 CA MET A 7 2.228 3.011 -5.903 1.00 0.00 C ATOM 114 C MET A 7 1.703 4.429 -6.112 1.00 0.00 C ATOM 115 O MET A 7 0.706 4.827 -5.542 1.00 0.00 O ATOM 116 CB MET A 7 3.618 3.071 -5.266 1.00 0.00 C ATOM 117 CG MET A 7 3.495 3.503 -3.805 1.00 0.00 C ATOM 118 SD MET A 7 2.637 2.214 -2.867 1.00 0.00 S ATOM 119 CE MET A 7 1.783 3.311 -1.710 1.00 0.00 C ATOM 0 H MET A 7 3.213 1.889 -7.430 1.00 0.00 H new ATOM 0 HA MET A 7 1.553 2.462 -5.246 1.00 0.00 H new ATOM 0 HB2 MET A 7 4.100 2.095 -5.328 1.00 0.00 H new ATOM 0 HB3 MET A 7 4.249 3.773 -5.811 1.00 0.00 H new ATOM 0 HG2 MET A 7 4.484 3.679 -3.382 1.00 0.00 H new ATOM 0 HG3 MET A 7 2.947 4.443 -3.737 1.00 0.00 H new ATOM 0 HE1 MET A 7 1.267 2.715 -0.957 1.00 0.00 H new ATOM 0 HE2 MET A 7 2.509 3.962 -1.222 1.00 0.00 H new ATOM 0 HE3 MET A 7 1.058 3.918 -2.252 1.00 0.00 H new ATOM 129 N VAL A 8 2.364 5.192 -6.933 1.00 0.00 N ATOM 130 CA VAL A 8 1.907 6.586 -7.190 1.00 0.00 C ATOM 131 C VAL A 8 0.491 6.548 -7.771 1.00 0.00 C ATOM 132 O VAL A 8 -0.280 7.472 -7.616 1.00 0.00 O ATOM 133 CB VAL A 8 2.856 7.262 -8.179 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.590 8.769 -8.196 1.00 0.00 C ATOM 135 CG2 VAL A 8 4.304 7.013 -7.750 1.00 0.00 C ATOM 0 H VAL A 8 3.204 4.911 -7.439 1.00 0.00 H new ATOM 0 HA VAL A 8 1.904 7.152 -6.258 1.00 0.00 H new ATOM 0 HB VAL A 8 2.692 6.849 -9.174 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.267 9.250 -8.902 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.559 8.953 -8.499 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.754 9.179 -7.199 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.981 7.495 -8.456 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.464 7.425 -6.754 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.500 5.941 -7.735 1.00 0.00 H new ATOM 145 N ALA A 9 0.146 5.476 -8.433 1.00 0.00 N ATOM 146 CA ALA A 9 -1.220 5.364 -9.020 1.00 0.00 C ATOM 147 C ALA A 9 -2.255 5.358 -7.896 1.00 0.00 C ATOM 148 O ALA A 9 -3.273 6.016 -7.973 1.00 0.00 O ATOM 149 CB ALA A 9 -1.331 4.060 -9.813 1.00 0.00 C ATOM 0 H ALA A 9 0.753 4.672 -8.593 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.400 6.211 -9.682 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.330 3.979 -10.242 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.591 4.057 -10.613 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.151 3.214 -9.149 1.00 0.00 H new ATOM 155 N LEU A 10 -2.002 4.620 -6.851 1.00 0.00 N ATOM 156 CA LEU A 10 -2.970 4.572 -5.722 1.00 0.00 C ATOM 157 C LEU A 10 -3.206 5.992 -5.210 1.00 0.00 C ATOM 158 O LEU A 10 -4.297 6.342 -4.809 1.00 0.00 O ATOM 159 CB LEU A 10 -2.404 3.704 -4.597 1.00 0.00 C ATOM 160 CG LEU A 10 -3.232 2.423 -4.476 1.00 0.00 C ATOM 161 CD1 LEU A 10 -2.301 1.211 -4.470 1.00 0.00 C ATOM 162 CD2 LEU A 10 -4.033 2.456 -3.174 1.00 0.00 C ATOM 0 H LEU A 10 -1.166 4.048 -6.731 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.913 4.143 -6.061 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.362 3.458 -4.802 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.423 4.252 -3.655 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.915 2.351 -5.322 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.892 0.299 -4.384 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.729 1.187 -5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.617 1.282 -3.624 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.623 1.544 -3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.349 2.528 -2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.698 3.320 -3.178 1.00 0.00 H new ATOM 174 N ILE A 11 -2.195 6.815 -5.229 1.00 0.00 N ATOM 175 CA ILE A 11 -2.368 8.215 -4.753 1.00 0.00 C ATOM 176 C ILE A 11 -3.339 8.942 -5.688 1.00 0.00 C ATOM 177 O ILE A 11 -4.092 9.800 -5.272 1.00 0.00 O ATOM 178 CB ILE A 11 -1.011 8.927 -4.757 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.189 8.456 -3.555 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.220 10.439 -4.666 1.00 0.00 C ATOM 181 CD1 ILE A 11 -0.077 6.931 -3.578 1.00 0.00 C ATOM 0 H ILE A 11 -1.257 6.579 -5.553 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.768 8.216 -3.739 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.482 8.691 -5.681 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.804 8.904 -3.582 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.661 8.782 -2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.252 10.941 -4.669 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.807 10.777 -5.520 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.750 10.678 -3.744 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.509 6.596 -2.722 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.074 6.492 -3.530 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.414 6.616 -4.499 1.00 0.00 H new ATOM 193 N ASP A 12 -3.324 8.605 -6.947 1.00 0.00 N ATOM 194 CA ASP A 12 -4.243 9.272 -7.912 1.00 0.00 C ATOM 195 C ASP A 12 -5.687 8.874 -7.598 1.00 0.00 C ATOM 196 O ASP A 12 -6.542 9.713 -7.397 1.00 0.00 O ATOM 197 CB ASP A 12 -3.888 8.831 -9.334 1.00 0.00 C ATOM 198 CG ASP A 12 -4.480 9.820 -10.341 1.00 0.00 C ATOM 199 OD1 ASP A 12 -5.618 9.624 -10.734 1.00 0.00 O ATOM 200 OD2 ASP A 12 -3.784 10.755 -10.701 1.00 0.00 O ATOM 0 H ASP A 12 -2.714 7.895 -7.351 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.140 10.354 -7.829 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.805 8.782 -9.451 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.275 7.829 -9.522 1.00 0.00 H new ATOM 205 N VAL A 13 -5.964 7.600 -7.552 1.00 0.00 N ATOM 206 CA VAL A 13 -7.349 7.141 -7.248 1.00 0.00 C ATOM 207 C VAL A 13 -7.818 7.795 -5.944 1.00 0.00 C ATOM 208 O VAL A 13 -8.849 8.432 -5.887 1.00 0.00 O ATOM 209 CB VAL A 13 -7.345 5.601 -7.134 1.00 0.00 C ATOM 210 CG1 VAL A 13 -7.769 5.128 -5.737 1.00 0.00 C ATOM 211 CG2 VAL A 13 -8.307 5.016 -8.168 1.00 0.00 C ATOM 0 H VAL A 13 -5.288 6.854 -7.713 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.038 7.430 -8.042 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.326 5.257 -7.314 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.752 4.039 -5.701 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.079 5.526 -4.993 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.777 5.483 -5.523 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.307 3.929 -8.091 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.313 5.393 -7.983 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.988 5.309 -9.168 1.00 0.00 H new ATOM 221 N PHE A 14 -7.063 7.626 -4.900 1.00 0.00 N ATOM 222 CA PHE A 14 -7.450 8.222 -3.590 1.00 0.00 C ATOM 223 C PHE A 14 -7.941 9.657 -3.790 1.00 0.00 C ATOM 224 O PHE A 14 -8.817 10.124 -3.090 1.00 0.00 O ATOM 225 CB PHE A 14 -6.241 8.233 -2.656 1.00 0.00 C ATOM 226 CG PHE A 14 -6.621 8.891 -1.353 1.00 0.00 C ATOM 227 CD1 PHE A 14 -7.378 8.188 -0.410 1.00 0.00 C ATOM 228 CD2 PHE A 14 -6.215 10.205 -1.088 1.00 0.00 C ATOM 229 CE1 PHE A 14 -7.732 8.798 0.798 1.00 0.00 C ATOM 230 CE2 PHE A 14 -6.569 10.816 0.120 1.00 0.00 C ATOM 231 CZ PHE A 14 -7.327 10.112 1.063 1.00 0.00 C ATOM 0 H PHE A 14 -6.190 7.099 -4.894 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.250 7.624 -3.153 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.898 7.214 -2.475 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.414 8.770 -3.120 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.689 7.174 -0.615 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -5.629 10.746 -1.816 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.317 8.256 1.526 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.258 11.830 0.325 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.600 10.583 1.996 1.00 0.00 H new ATOM 241 N HIS A 15 -7.381 10.367 -4.731 1.00 0.00 N ATOM 242 CA HIS A 15 -7.815 11.775 -4.959 1.00 0.00 C ATOM 243 C HIS A 15 -9.093 11.796 -5.798 1.00 0.00 C ATOM 244 O HIS A 15 -9.960 12.623 -5.601 1.00 0.00 O ATOM 245 CB HIS A 15 -6.711 12.537 -5.693 1.00 0.00 C ATOM 246 CG HIS A 15 -6.622 13.937 -5.153 1.00 0.00 C ATOM 247 ND1 HIS A 15 -7.064 15.036 -5.873 1.00 0.00 N ATOM 248 CD2 HIS A 15 -6.148 14.434 -3.964 1.00 0.00 C ATOM 249 CE1 HIS A 15 -6.848 16.129 -5.118 1.00 0.00 C ATOM 250 NE2 HIS A 15 -6.291 15.818 -3.944 1.00 0.00 N ATOM 0 H HIS A 15 -6.643 10.034 -5.351 1.00 0.00 H new ATOM 0 HA HIS A 15 -8.010 12.250 -3.997 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -5.756 12.026 -5.567 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -6.921 12.561 -6.762 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -5.728 13.841 -3.165 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.095 17.135 -5.424 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -6.027 16.457 -3.194 1.00 0.00 H new ATOM 258 N GLN A 16 -9.218 10.900 -6.736 1.00 0.00 N ATOM 259 CA GLN A 16 -10.440 10.878 -7.588 1.00 0.00 C ATOM 260 C GLN A 16 -11.677 10.643 -6.717 1.00 0.00 C ATOM 261 O GLN A 16 -12.657 11.353 -6.812 1.00 0.00 O ATOM 262 CB GLN A 16 -10.325 9.754 -8.618 1.00 0.00 C ATOM 263 CG GLN A 16 -11.023 10.175 -9.912 1.00 0.00 C ATOM 264 CD GLN A 16 -9.997 10.268 -11.042 1.00 0.00 C ATOM 265 OE1 GLN A 16 -9.230 11.208 -11.105 1.00 0.00 O ATOM 266 NE2 GLN A 16 -9.949 9.325 -11.942 1.00 0.00 N ATOM 0 H GLN A 16 -8.527 10.181 -6.950 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.536 11.836 -8.100 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.276 9.532 -8.814 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -10.777 8.842 -8.229 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.798 9.454 -10.170 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.516 11.137 -9.775 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.593 8.536 -11.889 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.267 9.377 -12.699 1.00 0.00 H new ATOM 275 N TYR A 17 -11.643 9.647 -5.873 1.00 0.00 N ATOM 276 CA TYR A 17 -12.821 9.366 -5.006 1.00 0.00 C ATOM 277 C TYR A 17 -13.065 10.549 -4.067 1.00 0.00 C ATOM 278 O TYR A 17 -14.191 10.940 -3.829 1.00 0.00 O ATOM 279 CB TYR A 17 -12.558 8.103 -4.183 1.00 0.00 C ATOM 280 CG TYR A 17 -12.745 6.885 -5.055 1.00 0.00 C ATOM 281 CD1 TYR A 17 -11.669 6.386 -5.800 1.00 0.00 C ATOM 282 CD2 TYR A 17 -13.993 6.256 -5.121 1.00 0.00 C ATOM 283 CE1 TYR A 17 -11.844 5.258 -6.610 1.00 0.00 C ATOM 284 CE2 TYR A 17 -14.167 5.128 -5.931 1.00 0.00 C ATOM 285 CZ TYR A 17 -13.092 4.629 -6.676 1.00 0.00 C ATOM 286 OH TYR A 17 -13.263 3.517 -7.474 1.00 0.00 O ATOM 0 H TYR A 17 -10.851 9.017 -5.747 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.702 9.216 -5.630 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.545 8.123 -3.780 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.238 8.062 -3.332 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -10.705 6.871 -5.750 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -14.823 6.641 -4.547 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -11.015 4.873 -7.185 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -15.130 4.643 -5.981 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.407 3.274 -7.885 1.00 0.00 H new ATOM 296 N SER A 18 -12.025 11.124 -3.532 1.00 0.00 N ATOM 297 CA SER A 18 -12.208 12.281 -2.613 1.00 0.00 C ATOM 298 C SER A 18 -12.057 13.585 -3.399 1.00 0.00 C ATOM 299 O SER A 18 -11.964 14.656 -2.835 1.00 0.00 O ATOM 300 CB SER A 18 -11.153 12.227 -1.508 1.00 0.00 C ATOM 301 OG SER A 18 -11.084 13.492 -0.864 1.00 0.00 O ATOM 0 H SER A 18 -11.057 10.843 -3.691 1.00 0.00 H new ATOM 0 HA SER A 18 -13.202 12.238 -2.168 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.406 11.451 -0.785 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.182 11.966 -1.929 1.00 0.00 H new ATOM 0 HG SER A 18 -11.308 13.389 0.085 1.00 0.00 H new ATOM 394 N HIS A 25 -8.876 15.965 0.394 1.00 0.00 N ATOM 395 CA HIS A 25 -7.794 15.557 1.333 1.00 0.00 C ATOM 396 C HIS A 25 -8.360 14.603 2.386 1.00 0.00 C ATOM 397 O HIS A 25 -7.707 14.279 3.358 1.00 0.00 O ATOM 398 CB HIS A 25 -7.223 16.799 2.022 1.00 0.00 C ATOM 399 CG HIS A 25 -6.156 16.386 2.999 1.00 0.00 C ATOM 400 ND1 HIS A 25 -6.431 16.148 4.336 1.00 0.00 N ATOM 401 CD2 HIS A 25 -4.810 16.164 2.849 1.00 0.00 C ATOM 402 CE1 HIS A 25 -5.276 15.801 4.932 1.00 0.00 C ATOM 403 NE2 HIS A 25 -4.256 15.794 4.070 1.00 0.00 N ATOM 0 HA HIS A 25 -7.003 15.053 0.778 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -6.807 17.481 1.280 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -8.017 17.337 2.540 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.263 16.262 1.923 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -5.185 15.558 5.980 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -3.281 15.566 4.265 1.00 0.00 H new ATOM 411 N LYS A 26 -9.569 14.148 2.206 1.00 0.00 N ATOM 412 CA LYS A 26 -10.169 13.217 3.203 1.00 0.00 C ATOM 413 C LYS A 26 -11.138 12.264 2.502 1.00 0.00 C ATOM 414 O LYS A 26 -11.797 12.624 1.546 1.00 0.00 O ATOM 415 CB LYS A 26 -10.926 14.024 4.257 1.00 0.00 C ATOM 416 CG LYS A 26 -12.111 14.730 3.600 1.00 0.00 C ATOM 417 CD LYS A 26 -12.933 15.447 4.669 1.00 0.00 C ATOM 418 CE LYS A 26 -14.421 15.282 4.359 1.00 0.00 C ATOM 419 NZ LYS A 26 -14.895 13.972 4.889 1.00 0.00 N ATOM 0 H LYS A 26 -10.167 14.380 1.413 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.377 12.640 3.680 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.276 13.366 5.053 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.262 14.756 4.717 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.756 15.446 2.858 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.733 14.006 3.073 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.707 15.037 5.653 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.671 16.505 4.697 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.990 16.096 4.809 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.587 15.333 3.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.894 13.836 4.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.325 13.205 4.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.797 13.960 5.924 1.00 0.00 H new ATOM 433 N LEU A 27 -11.229 11.051 2.970 1.00 0.00 N ATOM 434 CA LEU A 27 -12.154 10.070 2.338 1.00 0.00 C ATOM 435 C LEU A 27 -13.212 9.648 3.360 1.00 0.00 C ATOM 436 O LEU A 27 -13.416 10.308 4.358 1.00 0.00 O ATOM 437 CB LEU A 27 -11.356 8.844 1.888 1.00 0.00 C ATOM 438 CG LEU A 27 -11.233 8.846 0.364 1.00 0.00 C ATOM 439 CD1 LEU A 27 -10.511 7.576 -0.090 1.00 0.00 C ATOM 440 CD2 LEU A 27 -12.629 8.888 -0.260 1.00 0.00 C ATOM 0 H LEU A 27 -10.700 10.695 3.766 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.642 10.522 1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.366 8.854 2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.851 7.932 2.222 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.666 9.721 0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.423 7.576 -1.176 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.516 7.544 0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.079 6.701 0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.542 8.889 -1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.196 8.013 0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.145 9.792 0.064 1.00 0.00 H new ATOM 452 N LYS A 28 -13.886 8.557 3.122 1.00 0.00 N ATOM 453 CA LYS A 28 -14.925 8.098 4.081 1.00 0.00 C ATOM 454 C LYS A 28 -14.809 6.583 4.268 1.00 0.00 C ATOM 455 O LYS A 28 -14.571 5.853 3.329 1.00 0.00 O ATOM 456 CB LYS A 28 -16.307 8.442 3.529 1.00 0.00 C ATOM 457 CG LYS A 28 -17.107 9.183 4.598 1.00 0.00 C ATOM 458 CD LYS A 28 -18.082 10.152 3.926 1.00 0.00 C ATOM 459 CE LYS A 28 -19.385 10.199 4.725 1.00 0.00 C ATOM 460 NZ LYS A 28 -20.281 11.245 4.155 1.00 0.00 N ATOM 0 H LYS A 28 -13.760 7.963 2.302 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.784 8.593 5.042 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.211 9.060 2.636 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.830 7.533 3.232 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -17.654 8.471 5.217 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.433 9.728 5.259 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.641 11.147 3.869 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.281 9.833 2.903 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -19.878 9.227 4.695 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -19.174 10.417 5.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -21.167 11.277 4.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -19.810 12.171 4.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -20.492 11.018 3.162 1.00 0.00 H new ATOM 474 N LYS A 29 -14.968 6.105 5.471 1.00 0.00 N ATOM 475 CA LYS A 29 -14.859 4.639 5.710 1.00 0.00 C ATOM 476 C LYS A 29 -15.870 3.895 4.833 1.00 0.00 C ATOM 477 O LYS A 29 -15.705 2.730 4.533 1.00 0.00 O ATOM 478 CB LYS A 29 -15.141 4.335 7.184 1.00 0.00 C ATOM 479 CG LYS A 29 -16.595 4.680 7.509 1.00 0.00 C ATOM 480 CD LYS A 29 -16.769 4.770 9.025 1.00 0.00 C ATOM 481 CE LYS A 29 -16.204 3.508 9.679 1.00 0.00 C ATOM 482 NZ LYS A 29 -14.873 3.812 10.275 1.00 0.00 N ATOM 0 H LYS A 29 -15.169 6.666 6.299 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.851 4.310 5.458 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -14.951 3.282 7.391 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -14.469 4.911 7.820 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -16.868 5.627 7.044 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -17.261 3.920 7.100 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -16.256 5.652 9.409 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -17.824 4.881 9.275 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -16.886 3.148 10.449 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -16.110 2.713 8.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.190 3.081 9.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.546 4.740 9.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.952 3.827 11.312 1.00 0.00 H new ATOM 496 N SER A 30 -16.916 4.555 4.415 1.00 0.00 N ATOM 497 CA SER A 30 -17.926 3.875 3.555 1.00 0.00 C ATOM 498 C SER A 30 -17.421 3.829 2.113 1.00 0.00 C ATOM 499 O SER A 30 -17.610 2.855 1.412 1.00 0.00 O ATOM 500 CB SER A 30 -19.245 4.645 3.611 1.00 0.00 C ATOM 501 OG SER A 30 -18.975 6.017 3.866 1.00 0.00 O ATOM 0 H SER A 30 -17.114 5.532 4.631 1.00 0.00 H new ATOM 0 HA SER A 30 -18.084 2.859 3.915 1.00 0.00 H new ATOM 0 HB2 SER A 30 -19.783 4.537 2.669 1.00 0.00 H new ATOM 0 HB3 SER A 30 -19.885 4.237 4.393 1.00 0.00 H new ATOM 0 HG SER A 30 -19.818 6.515 3.901 1.00 0.00 H new ATOM 507 N GLU A 31 -16.771 4.869 1.663 1.00 0.00 N ATOM 508 CA GLU A 31 -16.252 4.871 0.270 1.00 0.00 C ATOM 509 C GLU A 31 -15.008 3.990 0.208 1.00 0.00 C ATOM 510 O GLU A 31 -14.619 3.521 -0.842 1.00 0.00 O ATOM 511 CB GLU A 31 -15.893 6.298 -0.150 1.00 0.00 C ATOM 512 CG GLU A 31 -15.724 6.354 -1.668 1.00 0.00 C ATOM 513 CD GLU A 31 -16.504 7.546 -2.229 1.00 0.00 C ATOM 514 OE1 GLU A 31 -16.139 8.667 -1.918 1.00 0.00 O ATOM 515 OE2 GLU A 31 -17.452 7.316 -2.960 1.00 0.00 O ATOM 0 H GLU A 31 -16.579 5.714 2.201 1.00 0.00 H new ATOM 0 HA GLU A 31 -17.015 4.486 -0.407 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.675 6.989 0.166 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.972 6.612 0.341 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -14.668 6.445 -1.923 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.082 5.428 -2.118 1.00 0.00 H new ATOM 522 N LEU A 32 -14.389 3.749 1.332 1.00 0.00 N ATOM 523 CA LEU A 32 -13.183 2.879 1.347 1.00 0.00 C ATOM 524 C LEU A 32 -13.650 1.425 1.320 1.00 0.00 C ATOM 525 O LEU A 32 -13.108 0.597 0.618 1.00 0.00 O ATOM 526 CB LEU A 32 -12.372 3.139 2.619 1.00 0.00 C ATOM 527 CG LEU A 32 -11.274 2.083 2.752 1.00 0.00 C ATOM 528 CD1 LEU A 32 -10.410 2.085 1.492 1.00 0.00 C ATOM 529 CD2 LEU A 32 -10.402 2.406 3.967 1.00 0.00 C ATOM 0 H LEU A 32 -14.668 4.119 2.241 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.552 3.091 0.484 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.930 4.135 2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.025 3.111 3.491 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.728 1.100 2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.627 1.332 1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.030 1.857 0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.955 3.067 1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.619 1.654 4.063 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.948 3.388 3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.017 2.406 4.867 1.00 0.00 H new ATOM 541 N LYS A 33 -14.672 1.119 2.071 1.00 0.00 N ATOM 542 CA LYS A 33 -15.206 -0.269 2.085 1.00 0.00 C ATOM 543 C LYS A 33 -15.599 -0.653 0.663 1.00 0.00 C ATOM 544 O LYS A 33 -15.405 -1.770 0.227 1.00 0.00 O ATOM 545 CB LYS A 33 -16.440 -0.320 2.986 1.00 0.00 C ATOM 546 CG LYS A 33 -16.622 -1.736 3.538 1.00 0.00 C ATOM 547 CD LYS A 33 -17.891 -1.797 4.389 1.00 0.00 C ATOM 548 CE LYS A 33 -18.218 -3.256 4.716 1.00 0.00 C ATOM 549 NZ LYS A 33 -19.672 -3.499 4.500 1.00 0.00 N ATOM 0 H LYS A 33 -15.162 1.776 2.679 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.452 -0.961 2.462 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.332 0.389 3.807 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -17.325 -0.023 2.423 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.688 -2.451 2.718 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -15.756 -2.017 4.138 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -17.752 -1.230 5.309 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -18.723 -1.338 3.854 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -17.629 -3.922 4.085 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -17.951 -3.477 5.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -19.895 -4.490 4.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.224 -2.873 5.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -19.913 -3.304 3.507 1.00 0.00 H new ATOM 563 N GLU A 34 -16.147 0.280 -0.062 1.00 0.00 N ATOM 564 CA GLU A 34 -16.557 0.004 -1.463 1.00 0.00 C ATOM 565 C GLU A 34 -15.320 0.091 -2.358 1.00 0.00 C ATOM 566 O GLU A 34 -15.203 -0.590 -3.355 1.00 0.00 O ATOM 567 CB GLU A 34 -17.617 1.041 -1.877 1.00 0.00 C ATOM 568 CG GLU A 34 -16.978 2.254 -2.565 1.00 0.00 C ATOM 569 CD GLU A 34 -16.963 2.036 -4.078 1.00 0.00 C ATOM 570 OE1 GLU A 34 -16.313 1.102 -4.516 1.00 0.00 O ATOM 571 OE2 GLU A 34 -17.604 2.806 -4.773 1.00 0.00 O ATOM 0 H GLU A 34 -16.330 1.230 0.260 1.00 0.00 H new ATOM 0 HA GLU A 34 -16.988 -0.992 -1.560 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -18.338 0.577 -2.551 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -18.169 1.370 -0.997 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -17.537 3.158 -2.323 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -15.962 2.399 -2.198 1.00 0.00 H new ATOM 578 N LEU A 35 -14.401 0.935 -1.994 1.00 0.00 N ATOM 579 CA LEU A 35 -13.157 1.100 -2.795 1.00 0.00 C ATOM 580 C LEU A 35 -12.446 -0.246 -2.934 1.00 0.00 C ATOM 581 O LEU A 35 -11.964 -0.598 -3.992 1.00 0.00 O ATOM 582 CB LEU A 35 -12.233 2.093 -2.084 1.00 0.00 C ATOM 583 CG LEU A 35 -11.670 3.089 -3.099 1.00 0.00 C ATOM 584 CD1 LEU A 35 -11.163 2.333 -4.327 1.00 0.00 C ATOM 585 CD2 LEU A 35 -12.774 4.062 -3.519 1.00 0.00 C ATOM 0 H LEU A 35 -14.458 1.526 -1.165 1.00 0.00 H new ATOM 0 HA LEU A 35 -13.411 1.473 -3.787 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.782 2.623 -1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -11.419 1.560 -1.593 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.846 3.643 -2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.762 3.042 -5.051 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.379 1.637 -4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.986 1.780 -4.779 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.376 4.773 -4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -13.596 3.507 -3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.137 4.600 -2.643 1.00 0.00 H new ATOM 597 N ILE A 36 -12.365 -0.999 -1.873 1.00 0.00 N ATOM 598 CA ILE A 36 -11.669 -2.315 -1.944 1.00 0.00 C ATOM 599 C ILE A 36 -12.597 -3.366 -2.559 1.00 0.00 C ATOM 600 O ILE A 36 -12.225 -4.078 -3.469 1.00 0.00 O ATOM 601 CB ILE A 36 -11.269 -2.764 -0.536 1.00 0.00 C ATOM 602 CG1 ILE A 36 -11.051 -1.530 0.355 1.00 0.00 C ATOM 603 CG2 ILE A 36 -9.983 -3.590 -0.616 1.00 0.00 C ATOM 604 CD1 ILE A 36 -10.170 -1.894 1.556 1.00 0.00 C ATOM 0 H ILE A 36 -12.751 -0.761 -0.959 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.779 -2.209 -2.564 1.00 0.00 H new ATOM 0 HB ILE A 36 -12.061 -3.375 -0.105 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.581 -0.734 -0.222 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -12.011 -1.148 0.701 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.694 -3.912 0.385 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.151 -4.465 -1.244 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.186 -2.982 -1.045 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.023 -1.012 2.180 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.656 -2.675 2.141 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.204 -2.254 1.203 1.00 0.00 H new ATOM 616 N ASN A 37 -13.795 -3.480 -2.057 1.00 0.00 N ATOM 617 CA ASN A 37 -14.739 -4.498 -2.599 1.00 0.00 C ATOM 618 C ASN A 37 -15.187 -4.114 -4.013 1.00 0.00 C ATOM 619 O ASN A 37 -15.915 -4.843 -4.656 1.00 0.00 O ATOM 620 CB ASN A 37 -15.962 -4.591 -1.687 1.00 0.00 C ATOM 621 CG ASN A 37 -17.003 -5.515 -2.322 1.00 0.00 C ATOM 622 OD1 ASN A 37 -16.839 -6.719 -2.329 1.00 0.00 O ATOM 623 ND2 ASN A 37 -18.074 -4.999 -2.859 1.00 0.00 N ATOM 0 H ASN A 37 -14.162 -2.912 -1.294 1.00 0.00 H new ATOM 0 HA ASN A 37 -14.232 -5.462 -2.640 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -15.671 -4.972 -0.708 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.388 -3.600 -1.530 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.774 -5.606 -3.285 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -18.211 -3.988 -2.853 1.00 0.00 H new ATOM 630 N ASN A 38 -14.768 -2.980 -4.505 1.00 0.00 N ATOM 631 CA ASN A 38 -15.185 -2.574 -5.878 1.00 0.00 C ATOM 632 C ASN A 38 -14.006 -2.722 -6.841 1.00 0.00 C ATOM 633 O ASN A 38 -14.017 -3.554 -7.726 1.00 0.00 O ATOM 634 CB ASN A 38 -15.656 -1.118 -5.864 1.00 0.00 C ATOM 635 CG ASN A 38 -16.339 -0.787 -7.192 1.00 0.00 C ATOM 636 OD1 ASN A 38 -16.989 -1.628 -7.779 1.00 0.00 O ATOM 637 ND2 ASN A 38 -16.219 0.411 -7.694 1.00 0.00 N ATOM 0 H ASN A 38 -14.159 -2.321 -4.020 1.00 0.00 H new ATOM 0 HA ASN A 38 -16.002 -3.215 -6.208 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -16.348 -0.957 -5.037 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -14.808 -0.452 -5.704 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -16.671 0.641 -8.579 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -15.673 1.118 -7.201 1.00 0.00 H new ATOM 644 N GLU A 39 -12.988 -1.921 -6.679 1.00 0.00 N ATOM 645 CA GLU A 39 -11.812 -2.017 -7.588 1.00 0.00 C ATOM 646 C GLU A 39 -11.218 -3.425 -7.515 1.00 0.00 C ATOM 647 O GLU A 39 -11.239 -4.168 -8.477 1.00 0.00 O ATOM 648 CB GLU A 39 -10.756 -0.994 -7.162 1.00 0.00 C ATOM 649 CG GLU A 39 -11.358 0.411 -7.217 1.00 0.00 C ATOM 650 CD GLU A 39 -11.253 0.956 -8.642 1.00 0.00 C ATOM 651 OE1 GLU A 39 -11.750 0.300 -9.542 1.00 0.00 O ATOM 652 OE2 GLU A 39 -10.679 2.019 -8.809 1.00 0.00 O ATOM 0 H GLU A 39 -12.921 -1.204 -5.956 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.127 -1.812 -8.611 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.408 -1.213 -6.153 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.888 -1.056 -7.819 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.401 0.384 -6.903 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.834 1.070 -6.525 1.00 0.00 H new ATOM 659 N LEU A 40 -10.686 -3.799 -6.384 1.00 0.00 N ATOM 660 CA LEU A 40 -10.090 -5.154 -6.252 1.00 0.00 C ATOM 661 C LEU A 40 -11.194 -6.214 -6.350 1.00 0.00 C ATOM 662 O LEU A 40 -11.557 -6.645 -7.427 1.00 0.00 O ATOM 663 CB LEU A 40 -9.384 -5.252 -4.899 1.00 0.00 C ATOM 664 CG LEU A 40 -8.252 -4.223 -4.840 1.00 0.00 C ATOM 665 CD1 LEU A 40 -7.371 -4.500 -3.621 1.00 0.00 C ATOM 666 CD2 LEU A 40 -7.406 -4.320 -6.111 1.00 0.00 C ATOM 0 H LEU A 40 -10.639 -3.221 -5.545 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.370 -5.325 -7.052 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.095 -5.074 -4.092 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.985 -6.256 -4.757 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.677 -3.222 -4.761 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.565 -3.767 -3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.972 -4.430 -2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.947 -5.501 -3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.600 -3.587 -6.069 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.982 -5.321 -6.190 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.032 -4.121 -6.981 1.00 0.00 H new ATOM 678 N SER A 41 -11.734 -6.639 -5.240 1.00 0.00 N ATOM 679 CA SER A 41 -12.815 -7.667 -5.277 1.00 0.00 C ATOM 680 C SER A 41 -12.441 -8.780 -6.258 1.00 0.00 C ATOM 681 O SER A 41 -13.273 -9.283 -6.985 1.00 0.00 O ATOM 682 CB SER A 41 -14.123 -7.015 -5.724 1.00 0.00 C ATOM 683 OG SER A 41 -15.127 -8.015 -5.849 1.00 0.00 O ATOM 0 H SER A 41 -11.473 -6.319 -4.307 1.00 0.00 H new ATOM 0 HA SER A 41 -12.939 -8.092 -4.281 1.00 0.00 H new ATOM 0 HB2 SER A 41 -14.433 -6.261 -5.001 1.00 0.00 H new ATOM 0 HB3 SER A 41 -13.981 -6.504 -6.676 1.00 0.00 H new ATOM 0 HG SER A 41 -14.828 -8.702 -6.481 1.00 0.00 H new ATOM 689 N HIS A 42 -11.198 -9.172 -6.282 1.00 0.00 N ATOM 690 CA HIS A 42 -10.778 -10.257 -7.213 1.00 0.00 C ATOM 691 C HIS A 42 -9.854 -11.228 -6.478 1.00 0.00 C ATOM 692 O HIS A 42 -9.158 -12.017 -7.083 1.00 0.00 O ATOM 693 CB HIS A 42 -10.037 -9.650 -8.407 1.00 0.00 C ATOM 694 CG HIS A 42 -10.724 -10.054 -9.681 1.00 0.00 C ATOM 695 ND1 HIS A 42 -10.176 -10.977 -10.557 1.00 0.00 N ATOM 696 CD2 HIS A 42 -11.916 -9.669 -10.241 1.00 0.00 C ATOM 697 CE1 HIS A 42 -11.029 -11.115 -11.587 1.00 0.00 C ATOM 698 NE2 HIS A 42 -12.107 -10.340 -11.445 1.00 0.00 N ATOM 0 H HIS A 42 -10.455 -8.789 -5.698 1.00 0.00 H new ATOM 0 HA HIS A 42 -11.659 -10.792 -7.569 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -10.016 -8.564 -8.321 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -9.001 -9.989 -8.416 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -12.602 -8.954 -9.812 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -10.863 -11.773 -12.427 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -12.900 -10.258 -12.082 1.00 0.00 H new ATOM 706 N PHE A 43 -9.843 -11.174 -5.175 1.00 0.00 N ATOM 707 CA PHE A 43 -8.965 -12.092 -4.397 1.00 0.00 C ATOM 708 C PHE A 43 -9.729 -12.613 -3.179 1.00 0.00 C ATOM 709 O PHE A 43 -9.182 -12.742 -2.102 1.00 0.00 O ATOM 710 CB PHE A 43 -7.723 -11.332 -3.928 1.00 0.00 C ATOM 711 CG PHE A 43 -6.827 -11.045 -5.109 1.00 0.00 C ATOM 712 CD1 PHE A 43 -6.328 -12.100 -5.879 1.00 0.00 C ATOM 713 CD2 PHE A 43 -6.495 -9.723 -5.433 1.00 0.00 C ATOM 714 CE1 PHE A 43 -5.497 -11.836 -6.974 1.00 0.00 C ATOM 715 CE2 PHE A 43 -5.663 -9.459 -6.527 1.00 0.00 C ATOM 716 CZ PHE A 43 -5.165 -10.515 -7.298 1.00 0.00 C ATOM 0 H PHE A 43 -10.405 -10.533 -4.615 1.00 0.00 H new ATOM 0 HA PHE A 43 -8.665 -12.929 -5.027 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.016 -10.399 -3.446 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.184 -11.919 -3.185 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.584 -13.119 -5.629 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.881 -8.908 -4.839 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.112 -12.651 -7.569 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.405 -8.440 -6.776 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.524 -10.311 -8.143 1.00 0.00 H new ATOM 726 N LEU A 44 -10.988 -12.911 -3.337 1.00 0.00 N ATOM 727 CA LEU A 44 -11.783 -13.420 -2.183 1.00 0.00 C ATOM 728 C LEU A 44 -11.969 -14.935 -2.312 1.00 0.00 C ATOM 729 O LEU A 44 -13.075 -15.429 -2.387 1.00 0.00 O ATOM 730 CB LEU A 44 -13.153 -12.740 -2.171 1.00 0.00 C ATOM 731 CG LEU A 44 -13.090 -11.479 -1.308 1.00 0.00 C ATOM 732 CD1 LEU A 44 -13.424 -10.256 -2.164 1.00 0.00 C ATOM 733 CD2 LEU A 44 -14.103 -11.593 -0.168 1.00 0.00 C ATOM 0 H LEU A 44 -11.501 -12.825 -4.214 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.255 -13.199 -1.255 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.452 -12.483 -3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.907 -13.424 -1.780 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.087 -11.371 -0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.379 -9.358 -1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.704 -10.174 -2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -14.427 -10.363 -2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -14.060 -10.695 0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -15.106 -11.701 -0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.867 -12.464 0.443 1.00 0.00 H new ATOM 745 N GLU A 45 -10.895 -15.675 -2.333 1.00 0.00 N ATOM 746 CA GLU A 45 -11.017 -17.157 -2.452 1.00 0.00 C ATOM 747 C GLU A 45 -11.176 -17.768 -1.060 1.00 0.00 C ATOM 748 O GLU A 45 -12.241 -18.215 -0.684 1.00 0.00 O ATOM 749 CB GLU A 45 -9.765 -17.723 -3.125 1.00 0.00 C ATOM 750 CG GLU A 45 -9.323 -16.787 -4.252 1.00 0.00 C ATOM 751 CD GLU A 45 -8.059 -17.339 -4.910 1.00 0.00 C ATOM 752 OE1 GLU A 45 -7.184 -17.784 -4.187 1.00 0.00 O ATOM 753 OE2 GLU A 45 -7.987 -17.308 -6.127 1.00 0.00 O ATOM 0 H GLU A 45 -9.941 -15.320 -2.273 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.890 -17.403 -3.056 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.964 -17.832 -2.394 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.971 -18.717 -3.523 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.118 -16.691 -4.992 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.133 -15.789 -3.856 1.00 0.00 H new ATOM 760 N GLU A 46 -10.124 -17.790 -0.291 1.00 0.00 N ATOM 761 CA GLU A 46 -10.209 -18.370 1.076 1.00 0.00 C ATOM 762 C GLU A 46 -9.690 -17.339 2.089 1.00 0.00 C ATOM 763 O GLU A 46 -10.152 -17.272 3.210 1.00 0.00 O ATOM 764 CB GLU A 46 -9.375 -19.668 1.117 1.00 0.00 C ATOM 765 CG GLU A 46 -8.452 -19.702 2.340 1.00 0.00 C ATOM 766 CD GLU A 46 -9.291 -19.842 3.611 1.00 0.00 C ATOM 767 OE1 GLU A 46 -10.487 -20.048 3.488 1.00 0.00 O ATOM 768 OE2 GLU A 46 -8.724 -19.741 4.686 1.00 0.00 O ATOM 0 H GLU A 46 -9.206 -17.430 -0.552 1.00 0.00 H new ATOM 0 HA GLU A 46 -11.240 -18.613 1.333 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.042 -20.530 1.139 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.779 -19.748 0.208 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.754 -20.536 2.259 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.856 -18.791 2.384 1.00 0.00 H new ATOM 775 N ILE A 47 -8.731 -16.541 1.701 1.00 0.00 N ATOM 776 CA ILE A 47 -8.180 -15.522 2.637 1.00 0.00 C ATOM 777 C ILE A 47 -7.490 -16.223 3.808 1.00 0.00 C ATOM 778 O ILE A 47 -8.077 -17.042 4.489 1.00 0.00 O ATOM 779 CB ILE A 47 -9.314 -14.640 3.163 1.00 0.00 C ATOM 780 CG1 ILE A 47 -10.029 -13.979 1.984 1.00 0.00 C ATOM 781 CG2 ILE A 47 -8.738 -13.559 4.078 1.00 0.00 C ATOM 782 CD1 ILE A 47 -10.970 -12.890 2.500 1.00 0.00 C ATOM 0 H ILE A 47 -8.306 -16.552 0.774 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.456 -14.901 2.109 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.021 -15.252 3.724 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.299 -13.548 1.298 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.592 -14.725 1.423 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.546 -12.931 4.453 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.224 -14.028 4.917 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -8.032 -12.946 3.518 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.479 -12.420 1.658 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -11.708 -13.334 3.168 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.395 -12.139 3.042 1.00 0.00 H new ATOM 794 N LYS A 48 -6.248 -15.907 4.050 1.00 0.00 N ATOM 795 CA LYS A 48 -5.519 -16.555 5.176 1.00 0.00 C ATOM 796 C LYS A 48 -5.515 -15.614 6.382 1.00 0.00 C ATOM 797 O LYS A 48 -5.459 -16.044 7.516 1.00 0.00 O ATOM 798 CB LYS A 48 -4.079 -16.845 4.752 1.00 0.00 C ATOM 799 CG LYS A 48 -3.686 -18.251 5.212 1.00 0.00 C ATOM 800 CD LYS A 48 -2.550 -18.156 6.233 1.00 0.00 C ATOM 801 CE LYS A 48 -2.043 -19.561 6.566 1.00 0.00 C ATOM 802 NZ LYS A 48 -2.599 -19.991 7.880 1.00 0.00 N ATOM 0 H LYS A 48 -5.706 -15.227 3.516 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.013 -17.489 5.442 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.984 -16.765 3.669 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.405 -16.107 5.186 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.546 -18.754 5.655 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.372 -18.850 4.357 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.737 -17.550 5.833 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.901 -17.661 7.138 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.342 -20.261 5.786 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.954 -19.568 6.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.255 -20.946 8.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.293 -19.328 8.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.638 -20.000 7.831 1.00 0.00 H new ATOM 816 N GLU A 49 -5.576 -14.332 6.145 1.00 0.00 N ATOM 817 CA GLU A 49 -5.577 -13.366 7.276 1.00 0.00 C ATOM 818 C GLU A 49 -7.012 -12.923 7.563 1.00 0.00 C ATOM 819 O GLU A 49 -7.378 -11.787 7.336 1.00 0.00 O ATOM 820 CB GLU A 49 -4.733 -12.145 6.907 1.00 0.00 C ATOM 821 CG GLU A 49 -3.306 -12.336 7.421 1.00 0.00 C ATOM 822 CD GLU A 49 -3.280 -12.155 8.938 1.00 0.00 C ATOM 823 OE1 GLU A 49 -4.337 -11.948 9.508 1.00 0.00 O ATOM 824 OE2 GLU A 49 -2.202 -12.227 9.506 1.00 0.00 O ATOM 0 H GLU A 49 -5.625 -13.913 5.216 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.157 -13.843 8.161 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.726 -12.008 5.826 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.169 -11.244 7.339 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.943 -13.329 7.157 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.638 -11.616 6.947 1.00 0.00 H new ATOM 831 N GLN A 50 -7.828 -13.810 8.060 1.00 0.00 N ATOM 832 CA GLN A 50 -9.237 -13.436 8.359 1.00 0.00 C ATOM 833 C GLN A 50 -9.252 -12.247 9.322 1.00 0.00 C ATOM 834 O GLN A 50 -10.209 -11.505 9.388 1.00 0.00 O ATOM 835 CB GLN A 50 -9.955 -14.623 9.003 1.00 0.00 C ATOM 836 CG GLN A 50 -11.391 -14.227 9.351 1.00 0.00 C ATOM 837 CD GLN A 50 -12.043 -15.344 10.169 1.00 0.00 C ATOM 838 OE1 GLN A 50 -12.701 -15.086 11.157 1.00 0.00 O ATOM 839 NE2 GLN A 50 -11.889 -16.585 9.796 1.00 0.00 N ATOM 0 H GLN A 50 -7.580 -14.776 8.272 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.746 -13.164 7.434 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.957 -15.473 8.321 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.425 -14.937 9.903 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.396 -13.296 9.918 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.962 -14.048 8.440 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.337 -16.803 8.967 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -12.321 -17.336 10.334 1.00 0.00 H new ATOM 848 N GLU A 51 -8.200 -12.062 10.071 1.00 0.00 N ATOM 849 CA GLU A 51 -8.158 -10.923 11.030 1.00 0.00 C ATOM 850 C GLU A 51 -7.800 -9.631 10.291 1.00 0.00 C ATOM 851 O GLU A 51 -8.236 -8.558 10.654 1.00 0.00 O ATOM 852 CB GLU A 51 -7.107 -11.201 12.105 1.00 0.00 C ATOM 853 CG GLU A 51 -7.775 -11.218 13.480 1.00 0.00 C ATOM 854 CD GLU A 51 -6.713 -11.412 14.563 1.00 0.00 C ATOM 855 OE1 GLU A 51 -6.111 -10.426 14.957 1.00 0.00 O ATOM 856 OE2 GLU A 51 -6.520 -12.542 14.979 1.00 0.00 O ATOM 0 H GLU A 51 -7.367 -12.651 10.060 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.138 -10.811 11.494 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.620 -12.157 11.914 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.331 -10.437 12.076 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.312 -10.284 13.646 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.510 -12.022 13.529 1.00 0.00 H new ATOM 863 N VAL A 52 -7.006 -9.721 9.260 1.00 0.00 N ATOM 864 CA VAL A 52 -6.623 -8.494 8.507 1.00 0.00 C ATOM 865 C VAL A 52 -7.829 -7.974 7.726 1.00 0.00 C ATOM 866 O VAL A 52 -8.145 -6.802 7.764 1.00 0.00 O ATOM 867 CB VAL A 52 -5.488 -8.826 7.537 1.00 0.00 C ATOM 868 CG1 VAL A 52 -5.087 -7.571 6.762 1.00 0.00 C ATOM 869 CG2 VAL A 52 -4.281 -9.336 8.326 1.00 0.00 C ATOM 0 H VAL A 52 -6.606 -10.590 8.907 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.290 -7.728 9.207 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.824 -9.592 6.838 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.278 -7.812 6.072 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.945 -7.201 6.200 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.752 -6.804 7.460 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.470 -9.574 7.637 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.951 -8.566 9.024 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.561 -10.232 8.880 1.00 0.00 H new ATOM 879 N VAL A 53 -8.510 -8.835 7.022 1.00 0.00 N ATOM 880 CA VAL A 53 -9.697 -8.381 6.247 1.00 0.00 C ATOM 881 C VAL A 53 -10.869 -8.170 7.203 1.00 0.00 C ATOM 882 O VAL A 53 -11.707 -7.319 6.991 1.00 0.00 O ATOM 883 CB VAL A 53 -10.067 -9.438 5.206 1.00 0.00 C ATOM 884 CG1 VAL A 53 -11.406 -9.075 4.562 1.00 0.00 C ATOM 885 CG2 VAL A 53 -8.982 -9.490 4.129 1.00 0.00 C ATOM 0 H VAL A 53 -8.297 -9.830 6.950 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.466 -7.445 5.739 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.150 -10.411 5.689 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.669 -9.829 3.820 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -12.180 -9.035 5.329 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.325 -8.102 4.078 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.243 -10.243 3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.901 -8.516 3.646 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.027 -9.748 4.587 1.00 0.00 H new ATOM 895 N ASP A 54 -10.926 -8.930 8.259 1.00 0.00 N ATOM 896 CA ASP A 54 -12.034 -8.759 9.236 1.00 0.00 C ATOM 897 C ASP A 54 -11.715 -7.565 10.130 1.00 0.00 C ATOM 898 O ASP A 54 -12.578 -7.016 10.783 1.00 0.00 O ATOM 899 CB ASP A 54 -12.168 -10.021 10.091 1.00 0.00 C ATOM 900 CG ASP A 54 -13.332 -9.857 11.068 1.00 0.00 C ATOM 901 OD1 ASP A 54 -14.403 -9.478 10.624 1.00 0.00 O ATOM 902 OD2 ASP A 54 -13.135 -10.114 12.243 1.00 0.00 O ATOM 0 H ASP A 54 -10.253 -9.662 8.488 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.972 -8.589 8.708 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -12.335 -10.889 9.453 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -11.243 -10.201 10.639 1.00 0.00 H new ATOM 907 N LYS A 55 -10.475 -7.153 10.158 1.00 0.00 N ATOM 908 CA LYS A 55 -10.097 -5.988 11.003 1.00 0.00 C ATOM 909 C LYS A 55 -10.470 -4.699 10.272 1.00 0.00 C ATOM 910 O LYS A 55 -11.104 -3.823 10.825 1.00 0.00 O ATOM 911 CB LYS A 55 -8.590 -6.012 11.266 1.00 0.00 C ATOM 912 CG LYS A 55 -8.164 -4.693 11.911 1.00 0.00 C ATOM 913 CD LYS A 55 -7.133 -3.998 11.020 1.00 0.00 C ATOM 914 CE LYS A 55 -6.400 -2.925 11.827 1.00 0.00 C ATOM 915 NZ LYS A 55 -5.384 -3.573 12.704 1.00 0.00 N ATOM 0 H LYS A 55 -9.710 -7.574 9.632 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.627 -6.037 11.954 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.337 -6.847 11.920 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.049 -6.164 10.332 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.031 -4.048 12.052 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.741 -4.879 12.898 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.421 -4.727 10.633 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.626 -3.547 10.159 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.917 -2.215 11.155 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.110 -2.360 12.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.701 -2.860 13.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.857 -4.000 13.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.884 -4.312 12.169 1.00 0.00 H new ATOM 929 N VAL A 56 -10.094 -4.576 9.028 1.00 0.00 N ATOM 930 CA VAL A 56 -10.443 -3.346 8.268 1.00 0.00 C ATOM 931 C VAL A 56 -11.925 -3.399 7.911 1.00 0.00 C ATOM 932 O VAL A 56 -12.612 -2.398 7.892 1.00 0.00 O ATOM 933 CB VAL A 56 -9.610 -3.276 6.986 1.00 0.00 C ATOM 934 CG1 VAL A 56 -8.210 -2.753 7.309 1.00 0.00 C ATOM 935 CG2 VAL A 56 -9.497 -4.670 6.363 1.00 0.00 C ATOM 0 H VAL A 56 -9.562 -5.273 8.508 1.00 0.00 H new ATOM 0 HA VAL A 56 -10.235 -2.464 8.874 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.098 -2.602 6.282 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.620 -2.704 6.394 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.285 -1.757 7.745 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.726 -3.424 8.018 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.903 -4.614 5.451 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.015 -5.346 7.069 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.493 -5.044 6.125 1.00 0.00 H new ATOM 945 N MET A 57 -12.421 -4.570 7.640 1.00 0.00 N ATOM 946 CA MET A 57 -13.859 -4.721 7.298 1.00 0.00 C ATOM 947 C MET A 57 -14.685 -4.515 8.563 1.00 0.00 C ATOM 948 O MET A 57 -15.852 -4.189 8.510 1.00 0.00 O ATOM 949 CB MET A 57 -14.098 -6.132 6.762 1.00 0.00 C ATOM 950 CG MET A 57 -15.504 -6.230 6.173 1.00 0.00 C ATOM 951 SD MET A 57 -15.398 -6.730 4.437 1.00 0.00 S ATOM 952 CE MET A 57 -14.131 -5.540 3.930 1.00 0.00 C ATOM 0 H MET A 57 -11.886 -5.438 7.641 1.00 0.00 H new ATOM 0 HA MET A 57 -14.146 -3.990 6.543 1.00 0.00 H new ATOM 0 HB2 MET A 57 -13.357 -6.372 6.000 1.00 0.00 H new ATOM 0 HB3 MET A 57 -13.978 -6.861 7.564 1.00 0.00 H new ATOM 0 HG2 MET A 57 -16.096 -6.953 6.735 1.00 0.00 H new ATOM 0 HG3 MET A 57 -16.012 -5.269 6.255 1.00 0.00 H new ATOM 0 HE1 MET A 57 -14.282 -5.271 2.884 1.00 0.00 H new ATOM 0 HE2 MET A 57 -14.204 -4.645 4.549 1.00 0.00 H new ATOM 0 HE3 MET A 57 -13.144 -5.986 4.051 1.00 0.00 H new ATOM 962 N GLU A 58 -14.083 -4.706 9.704 1.00 0.00 N ATOM 963 CA GLU A 58 -14.827 -4.518 10.979 1.00 0.00 C ATOM 964 C GLU A 58 -14.998 -3.024 11.244 1.00 0.00 C ATOM 965 O GLU A 58 -16.099 -2.542 11.413 1.00 0.00 O ATOM 966 CB GLU A 58 -14.050 -5.153 12.133 1.00 0.00 C ATOM 967 CG GLU A 58 -14.643 -6.525 12.460 1.00 0.00 C ATOM 968 CD GLU A 58 -13.689 -7.285 13.382 1.00 0.00 C ATOM 969 OE1 GLU A 58 -12.664 -6.723 13.733 1.00 0.00 O ATOM 970 OE2 GLU A 58 -13.999 -8.414 13.723 1.00 0.00 O ATOM 0 H GLU A 58 -13.107 -4.984 9.808 1.00 0.00 H new ATOM 0 HA GLU A 58 -15.804 -4.994 10.901 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.999 -5.255 11.864 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -14.093 -4.509 13.011 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -15.614 -6.408 12.940 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -14.807 -7.090 11.543 1.00 0.00 H new ATOM 977 N THR A 59 -13.924 -2.276 11.268 1.00 0.00 N ATOM 978 CA THR A 59 -14.061 -0.813 11.504 1.00 0.00 C ATOM 979 C THR A 59 -14.913 -0.239 10.378 1.00 0.00 C ATOM 980 O THR A 59 -15.736 0.633 10.576 1.00 0.00 O ATOM 981 CB THR A 59 -12.680 -0.152 11.495 1.00 0.00 C ATOM 982 OG1 THR A 59 -11.751 -0.990 12.167 1.00 0.00 O ATOM 983 CG2 THR A 59 -12.755 1.201 12.203 1.00 0.00 C ATOM 0 H THR A 59 -12.970 -2.613 11.136 1.00 0.00 H new ATOM 0 HA THR A 59 -14.527 -0.626 12.471 1.00 0.00 H new ATOM 0 HB THR A 59 -12.355 -0.002 10.465 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.866 -0.569 12.160 1.00 0.00 H new ATOM 0 HG21 THR A 59 -11.771 1.670 12.196 1.00 0.00 H new ATOM 0 HG22 THR A 59 -13.467 1.843 11.685 1.00 0.00 H new ATOM 0 HG23 THR A 59 -13.080 1.055 13.233 1.00 0.00 H new ATOM 991 N LEU A 60 -14.727 -0.752 9.196 1.00 0.00 N ATOM 992 CA LEU A 60 -15.520 -0.284 8.033 1.00 0.00 C ATOM 993 C LEU A 60 -17.007 -0.431 8.355 1.00 0.00 C ATOM 994 O LEU A 60 -17.764 0.520 8.316 1.00 0.00 O ATOM 995 CB LEU A 60 -15.167 -1.154 6.823 1.00 0.00 C ATOM 996 CG LEU A 60 -13.955 -0.562 6.102 1.00 0.00 C ATOM 997 CD1 LEU A 60 -13.496 -1.523 5.005 1.00 0.00 C ATOM 998 CD2 LEU A 60 -14.338 0.780 5.476 1.00 0.00 C ATOM 0 H LEU A 60 -14.050 -1.485 8.986 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.298 0.761 7.815 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -14.949 -2.172 7.145 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -16.016 -1.210 6.142 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.146 -0.411 6.816 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.632 -1.102 4.490 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.222 -2.480 5.450 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.306 -1.674 4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.474 1.202 4.962 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.148 0.630 4.762 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.666 1.466 6.257 1.00 0.00 H new ATOM 1010 N ASP A 61 -17.425 -1.625 8.681 1.00 0.00 N ATOM 1011 CA ASP A 61 -18.856 -1.861 9.017 1.00 0.00 C ATOM 1012 C ASP A 61 -19.123 -1.434 10.460 1.00 0.00 C ATOM 1013 O ASP A 61 -20.231 -1.522 10.948 1.00 0.00 O ATOM 1014 CB ASP A 61 -19.167 -3.352 8.868 1.00 0.00 C ATOM 1015 CG ASP A 61 -20.666 -3.542 8.627 1.00 0.00 C ATOM 1016 OD1 ASP A 61 -21.344 -2.546 8.434 1.00 0.00 O ATOM 1017 OD2 ASP A 61 -21.109 -4.678 8.638 1.00 0.00 O ATOM 0 H ASP A 61 -16.830 -2.452 8.729 1.00 0.00 H new ATOM 0 HA ASP A 61 -19.487 -1.280 8.345 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -18.599 -3.771 8.038 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -18.862 -3.889 9.766 1.00 0.00 H new ATOM 1022 N GLU A 62 -18.115 -0.977 11.153 1.00 0.00 N ATOM 1023 CA GLU A 62 -18.315 -0.553 12.565 1.00 0.00 C ATOM 1024 C GLU A 62 -19.124 0.742 12.601 1.00 0.00 C ATOM 1025 O GLU A 62 -19.881 0.987 13.518 1.00 0.00 O ATOM 1026 CB GLU A 62 -16.955 -0.323 13.228 1.00 0.00 C ATOM 1027 CG GLU A 62 -17.159 0.073 14.690 1.00 0.00 C ATOM 1028 CD GLU A 62 -16.527 1.444 14.940 1.00 0.00 C ATOM 1029 OE1 GLU A 62 -15.353 1.480 15.271 1.00 0.00 O ATOM 1030 OE2 GLU A 62 -17.225 2.433 14.798 1.00 0.00 O ATOM 0 H GLU A 62 -17.163 -0.880 10.801 1.00 0.00 H new ATOM 0 HA GLU A 62 -18.854 -1.333 13.103 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.351 -1.228 13.167 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.410 0.460 12.701 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.223 0.103 14.925 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.709 -0.672 15.346 1.00 0.00 H new ATOM 1037 N ASP A 63 -18.971 1.575 11.610 1.00 0.00 N ATOM 1038 CA ASP A 63 -19.735 2.854 11.590 1.00 0.00 C ATOM 1039 C ASP A 63 -20.367 3.054 10.215 1.00 0.00 C ATOM 1040 O ASP A 63 -21.571 3.154 10.082 1.00 0.00 O ATOM 1041 CB ASP A 63 -18.787 4.017 11.891 1.00 0.00 C ATOM 1042 CG ASP A 63 -19.315 4.810 13.088 1.00 0.00 C ATOM 1043 OD1 ASP A 63 -19.184 4.325 14.199 1.00 0.00 O ATOM 1044 OD2 ASP A 63 -19.842 5.888 12.871 1.00 0.00 O ATOM 0 H ASP A 63 -18.351 1.426 10.814 1.00 0.00 H new ATOM 0 HA ASP A 63 -20.520 2.818 12.345 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -17.787 3.639 12.104 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -18.703 4.666 11.020 1.00 0.00 H new ATOM 1049 N GLY A 64 -19.565 3.115 9.192 1.00 0.00 N ATOM 1050 CA GLY A 64 -20.116 3.310 7.821 1.00 0.00 C ATOM 1051 C GLY A 64 -20.491 4.781 7.615 1.00 0.00 C ATOM 1052 O GLY A 64 -20.872 5.187 6.535 1.00 0.00 O ATOM 0 H GLY A 64 -18.549 3.038 9.244 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -19.380 3.006 7.077 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -20.993 2.679 7.679 1.00 0.00 H new ATOM 1056 N ASP A 65 -20.391 5.585 8.640 1.00 0.00 N ATOM 1057 CA ASP A 65 -20.746 7.022 8.497 1.00 0.00 C ATOM 1058 C ASP A 65 -19.643 7.886 9.114 1.00 0.00 C ATOM 1059 O ASP A 65 -19.906 8.899 9.730 1.00 0.00 O ATOM 1060 CB ASP A 65 -22.064 7.286 9.222 1.00 0.00 C ATOM 1061 CG ASP A 65 -22.716 8.549 8.657 1.00 0.00 C ATOM 1062 OD1 ASP A 65 -22.806 8.656 7.445 1.00 0.00 O ATOM 1063 OD2 ASP A 65 -23.115 9.390 9.446 1.00 0.00 O ATOM 0 H ASP A 65 -20.078 5.306 9.570 1.00 0.00 H new ATOM 0 HA ASP A 65 -20.850 7.270 7.441 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -22.734 6.434 9.102 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -21.886 7.404 10.291 1.00 0.00 H new ATOM 1068 N GLY A 66 -18.410 7.493 8.952 1.00 0.00 N ATOM 1069 CA GLY A 66 -17.294 8.288 9.528 1.00 0.00 C ATOM 1070 C GLY A 66 -16.352 8.735 8.410 1.00 0.00 C ATOM 1071 O GLY A 66 -16.625 8.541 7.242 1.00 0.00 O ATOM 0 H GLY A 66 -18.129 6.654 8.445 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.688 9.157 10.055 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.749 7.692 10.260 1.00 0.00 H new ATOM 1075 N GLU A 67 -15.245 9.331 8.756 1.00 0.00 N ATOM 1076 CA GLU A 67 -14.288 9.789 7.712 1.00 0.00 C ATOM 1077 C GLU A 67 -12.968 9.031 7.862 1.00 0.00 C ATOM 1078 O GLU A 67 -12.659 8.505 8.913 1.00 0.00 O ATOM 1079 CB GLU A 67 -14.034 11.289 7.873 1.00 0.00 C ATOM 1080 CG GLU A 67 -15.351 11.998 8.188 1.00 0.00 C ATOM 1081 CD GLU A 67 -15.071 13.454 8.567 1.00 0.00 C ATOM 1082 OE1 GLU A 67 -14.552 14.175 7.730 1.00 0.00 O ATOM 1083 OE2 GLU A 67 -15.380 13.823 9.687 1.00 0.00 O ATOM 0 H GLU A 67 -14.962 9.521 9.717 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.709 9.596 6.725 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.315 11.463 8.673 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -13.599 11.695 6.960 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.014 11.957 7.323 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.863 11.490 9.006 1.00 0.00 H new ATOM 1090 N CYS A 68 -12.187 8.973 6.819 1.00 0.00 N ATOM 1091 CA CYS A 68 -10.886 8.253 6.900 1.00 0.00 C ATOM 1092 C CYS A 68 -9.772 9.176 6.408 1.00 0.00 C ATOM 1093 O CYS A 68 -10.012 10.302 6.020 1.00 0.00 O ATOM 1094 CB CYS A 68 -10.941 7.003 6.022 1.00 0.00 C ATOM 1095 SG CYS A 68 -11.939 5.733 6.839 1.00 0.00 S ATOM 0 H CYS A 68 -12.394 9.394 5.913 1.00 0.00 H new ATOM 0 HA CYS A 68 -10.690 7.960 7.932 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -11.369 7.247 5.050 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -9.934 6.628 5.841 1.00 0.00 H new ATOM 0 HG CYS A 68 -12.548 6.252 7.863 1.00 0.00 H new ATOM 1101 N ASP A 69 -8.554 8.711 6.416 1.00 0.00 N ATOM 1102 CA ASP A 69 -7.434 9.571 5.943 1.00 0.00 C ATOM 1103 C ASP A 69 -6.778 8.923 4.725 1.00 0.00 C ATOM 1104 O ASP A 69 -7.112 7.820 4.341 1.00 0.00 O ATOM 1105 CB ASP A 69 -6.398 9.725 7.058 1.00 0.00 C ATOM 1106 CG ASP A 69 -6.973 10.600 8.173 1.00 0.00 C ATOM 1107 OD1 ASP A 69 -7.203 11.771 7.922 1.00 0.00 O ATOM 1108 OD2 ASP A 69 -7.174 10.083 9.259 1.00 0.00 O ATOM 0 H ASP A 69 -8.286 7.777 6.728 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.821 10.553 5.671 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.126 8.746 7.453 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.487 10.174 6.663 1.00 0.00 H new ATOM 1113 N PHE A 70 -5.847 9.600 4.114 1.00 0.00 N ATOM 1114 CA PHE A 70 -5.170 9.021 2.922 1.00 0.00 C ATOM 1115 C PHE A 70 -4.206 7.926 3.376 1.00 0.00 C ATOM 1116 O PHE A 70 -3.968 6.966 2.672 1.00 0.00 O ATOM 1117 CB PHE A 70 -4.397 10.120 2.186 1.00 0.00 C ATOM 1118 CG PHE A 70 -3.293 10.647 3.071 1.00 0.00 C ATOM 1119 CD1 PHE A 70 -3.571 11.623 4.035 1.00 0.00 C ATOM 1120 CD2 PHE A 70 -1.988 10.162 2.925 1.00 0.00 C ATOM 1121 CE1 PHE A 70 -2.545 12.113 4.853 1.00 0.00 C ATOM 1122 CE2 PHE A 70 -0.963 10.651 3.743 1.00 0.00 C ATOM 1123 CZ PHE A 70 -1.242 11.627 4.707 1.00 0.00 C ATOM 0 H PHE A 70 -5.526 10.528 4.388 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.913 8.595 2.248 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.977 9.725 1.261 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.072 10.930 1.910 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.577 11.999 4.148 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.772 9.410 2.181 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.760 12.866 5.596 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.043 10.275 3.630 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.451 12.005 5.338 1.00 0.00 H new ATOM 1133 N GLN A 71 -3.659 8.058 4.551 1.00 0.00 N ATOM 1134 CA GLN A 71 -2.722 7.018 5.058 1.00 0.00 C ATOM 1135 C GLN A 71 -3.533 5.836 5.585 1.00 0.00 C ATOM 1136 O GLN A 71 -3.051 4.724 5.668 1.00 0.00 O ATOM 1137 CB GLN A 71 -1.877 7.601 6.192 1.00 0.00 C ATOM 1138 CG GLN A 71 -0.735 8.429 5.603 1.00 0.00 C ATOM 1139 CD GLN A 71 0.602 7.797 5.990 1.00 0.00 C ATOM 1140 OE1 GLN A 71 1.537 8.489 6.339 1.00 0.00 O ATOM 1141 NE2 GLN A 71 0.732 6.499 5.943 1.00 0.00 N ATOM 0 H GLN A 71 -3.820 8.842 5.183 1.00 0.00 H new ATOM 0 HA GLN A 71 -2.066 6.688 4.253 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.496 8.223 6.838 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.477 6.798 6.811 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.827 8.476 4.518 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.786 9.453 5.972 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.053 5.918 5.650 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.619 6.066 6.199 1.00 0.00 H new ATOM 1150 N GLU A 72 -4.765 6.071 5.943 1.00 0.00 N ATOM 1151 CA GLU A 72 -5.614 4.967 6.462 1.00 0.00 C ATOM 1152 C GLU A 72 -6.119 4.128 5.290 1.00 0.00 C ATOM 1153 O GLU A 72 -5.996 2.919 5.282 1.00 0.00 O ATOM 1154 CB GLU A 72 -6.800 5.562 7.222 1.00 0.00 C ATOM 1155 CG GLU A 72 -6.479 5.596 8.716 1.00 0.00 C ATOM 1156 CD GLU A 72 -7.504 4.755 9.480 1.00 0.00 C ATOM 1157 OE1 GLU A 72 -8.677 4.856 9.161 1.00 0.00 O ATOM 1158 OE2 GLU A 72 -7.100 4.026 10.369 1.00 0.00 O ATOM 0 H GLU A 72 -5.220 6.983 5.898 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.034 4.335 7.134 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.010 6.569 6.861 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.696 4.967 7.045 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.474 5.211 8.891 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.494 6.624 9.078 1.00 0.00 H new ATOM 1165 N PHE A 73 -6.675 4.757 4.293 1.00 0.00 N ATOM 1166 CA PHE A 73 -7.172 3.992 3.120 1.00 0.00 C ATOM 1167 C PHE A 73 -5.966 3.364 2.408 1.00 0.00 C ATOM 1168 O PHE A 73 -6.086 2.373 1.716 1.00 0.00 O ATOM 1169 CB PHE A 73 -7.951 4.947 2.186 1.00 0.00 C ATOM 1170 CG PHE A 73 -7.354 4.968 0.795 1.00 0.00 C ATOM 1171 CD1 PHE A 73 -6.173 5.678 0.553 1.00 0.00 C ATOM 1172 CD2 PHE A 73 -7.980 4.273 -0.247 1.00 0.00 C ATOM 1173 CE1 PHE A 73 -5.618 5.696 -0.730 1.00 0.00 C ATOM 1174 CE2 PHE A 73 -7.423 4.290 -1.532 1.00 0.00 C ATOM 1175 CZ PHE A 73 -6.241 5.002 -1.772 1.00 0.00 C ATOM 0 H PHE A 73 -6.806 5.767 4.241 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.851 3.196 3.427 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -8.994 4.634 2.131 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -7.942 5.954 2.603 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -5.690 6.212 1.358 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -8.891 3.724 -0.060 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.708 6.246 -0.917 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -7.904 3.755 -2.337 1.00 0.00 H new ATOM 0 HZ PHE A 73 -5.810 5.015 -2.762 1.00 0.00 H new ATOM 1185 N MET A 74 -4.808 3.941 2.579 1.00 0.00 N ATOM 1186 CA MET A 74 -3.593 3.388 1.919 1.00 0.00 C ATOM 1187 C MET A 74 -3.144 2.128 2.658 1.00 0.00 C ATOM 1188 O MET A 74 -2.956 1.085 2.066 1.00 0.00 O ATOM 1189 CB MET A 74 -2.473 4.431 1.957 1.00 0.00 C ATOM 1190 CG MET A 74 -2.193 4.933 0.540 1.00 0.00 C ATOM 1191 SD MET A 74 -0.674 4.171 -0.081 1.00 0.00 S ATOM 1192 CE MET A 74 -1.455 3.018 -1.236 1.00 0.00 C ATOM 0 H MET A 74 -4.651 4.773 3.148 1.00 0.00 H new ATOM 0 HA MET A 74 -3.821 3.140 0.883 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.759 5.264 2.599 1.00 0.00 H new ATOM 0 HB3 MET A 74 -1.570 3.995 2.384 1.00 0.00 H new ATOM 0 HG2 MET A 74 -3.029 4.689 -0.115 1.00 0.00 H new ATOM 0 HG3 MET A 74 -2.094 6.019 0.540 1.00 0.00 H new ATOM 0 HE1 MET A 74 -1.180 1.997 -0.972 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.538 3.127 -1.183 1.00 0.00 H new ATOM 0 HE3 MET A 74 -1.118 3.234 -2.250 1.00 0.00 H new ATOM 1202 N ALA A 75 -2.978 2.211 3.948 1.00 0.00 N ATOM 1203 CA ALA A 75 -2.550 1.011 4.714 1.00 0.00 C ATOM 1204 C ALA A 75 -3.710 0.015 4.755 1.00 0.00 C ATOM 1205 O ALA A 75 -3.534 -1.150 5.052 1.00 0.00 O ATOM 1206 CB ALA A 75 -2.167 1.421 6.138 1.00 0.00 C ATOM 0 H ALA A 75 -3.120 3.055 4.502 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.686 0.551 4.234 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.853 0.540 6.698 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.348 2.139 6.102 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.027 1.876 6.629 1.00 0.00 H new ATOM 1212 N PHE A 76 -4.895 0.468 4.448 1.00 0.00 N ATOM 1213 CA PHE A 76 -6.074 -0.443 4.458 1.00 0.00 C ATOM 1214 C PHE A 76 -6.107 -1.252 3.159 1.00 0.00 C ATOM 1215 O PHE A 76 -6.366 -2.438 3.162 1.00 0.00 O ATOM 1216 CB PHE A 76 -7.355 0.385 4.570 1.00 0.00 C ATOM 1217 CG PHE A 76 -7.870 0.332 5.987 1.00 0.00 C ATOM 1218 CD1 PHE A 76 -6.977 0.421 7.061 1.00 0.00 C ATOM 1219 CD2 PHE A 76 -9.242 0.196 6.228 1.00 0.00 C ATOM 1220 CE1 PHE A 76 -7.456 0.372 8.375 1.00 0.00 C ATOM 1221 CE2 PHE A 76 -9.721 0.148 7.541 1.00 0.00 C ATOM 1222 CZ PHE A 76 -8.828 0.235 8.615 1.00 0.00 C ATOM 0 H PHE A 76 -5.098 1.434 4.190 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.000 -1.121 5.308 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -7.159 1.418 4.282 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.110 0.001 3.884 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -5.918 0.527 6.876 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.931 0.128 5.399 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.767 0.440 9.204 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.780 0.044 7.726 1.00 0.00 H new ATOM 0 HZ PHE A 76 -9.198 0.196 9.629 1.00 0.00 H new ATOM 1232 N VAL A 77 -5.850 -0.617 2.047 1.00 0.00 N ATOM 1233 CA VAL A 77 -5.872 -1.351 0.751 1.00 0.00 C ATOM 1234 C VAL A 77 -4.719 -2.351 0.705 1.00 0.00 C ATOM 1235 O VAL A 77 -4.801 -3.376 0.060 1.00 0.00 O ATOM 1236 CB VAL A 77 -5.726 -0.354 -0.402 1.00 0.00 C ATOM 1237 CG1 VAL A 77 -5.665 -1.114 -1.726 1.00 0.00 C ATOM 1238 CG2 VAL A 77 -6.929 0.590 -0.415 1.00 0.00 C ATOM 0 H VAL A 77 -5.626 0.376 1.981 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.817 -1.885 0.656 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.811 0.223 -0.269 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.561 -0.405 -2.548 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.809 -1.789 -1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.581 -1.690 -1.857 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.826 1.300 -1.236 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.844 0.012 -0.548 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.977 1.132 0.530 1.00 0.00 H new ATOM 1248 N SER A 78 -3.641 -2.064 1.380 1.00 0.00 N ATOM 1249 CA SER A 78 -2.485 -3.001 1.368 1.00 0.00 C ATOM 1250 C SER A 78 -2.780 -4.199 2.273 1.00 0.00 C ATOM 1251 O SER A 78 -2.441 -5.321 1.960 1.00 0.00 O ATOM 1252 CB SER A 78 -1.237 -2.276 1.873 1.00 0.00 C ATOM 1253 OG SER A 78 -1.141 -1.008 1.238 1.00 0.00 O ATOM 0 H SER A 78 -3.511 -1.221 1.939 1.00 0.00 H new ATOM 0 HA SER A 78 -2.317 -3.352 0.350 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.288 -2.151 2.955 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.347 -2.869 1.662 1.00 0.00 H new ATOM 0 HG SER A 78 -1.746 -0.375 1.679 1.00 0.00 H new ATOM 1259 N MET A 79 -3.405 -3.969 3.392 1.00 0.00 N ATOM 1260 CA MET A 79 -3.716 -5.089 4.319 1.00 0.00 C ATOM 1261 C MET A 79 -4.625 -6.106 3.626 1.00 0.00 C ATOM 1262 O MET A 79 -4.364 -7.293 3.633 1.00 0.00 O ATOM 1263 CB MET A 79 -4.432 -4.529 5.545 1.00 0.00 C ATOM 1264 CG MET A 79 -3.477 -3.625 6.327 1.00 0.00 C ATOM 1265 SD MET A 79 -3.148 -4.356 7.949 1.00 0.00 S ATOM 1266 CE MET A 79 -4.080 -3.154 8.927 1.00 0.00 C ATOM 0 H MET A 79 -3.715 -3.049 3.705 1.00 0.00 H new ATOM 0 HA MET A 79 -2.790 -5.583 4.615 1.00 0.00 H new ATOM 0 HB2 MET A 79 -5.313 -3.966 5.238 1.00 0.00 H new ATOM 0 HB3 MET A 79 -4.780 -5.344 6.180 1.00 0.00 H new ATOM 0 HG2 MET A 79 -2.545 -3.500 5.776 1.00 0.00 H new ATOM 0 HG3 MET A 79 -3.913 -2.633 6.445 1.00 0.00 H new ATOM 0 HE1 MET A 79 -4.014 -3.415 9.983 1.00 0.00 H new ATOM 0 HE2 MET A 79 -3.664 -2.158 8.772 1.00 0.00 H new ATOM 0 HE3 MET A 79 -5.125 -3.163 8.616 1.00 0.00 H new ATOM 1276 N VAL A 80 -5.699 -5.655 3.040 1.00 0.00 N ATOM 1277 CA VAL A 80 -6.629 -6.597 2.364 1.00 0.00 C ATOM 1278 C VAL A 80 -5.972 -7.174 1.106 1.00 0.00 C ATOM 1279 O VAL A 80 -6.124 -8.341 0.802 1.00 0.00 O ATOM 1280 CB VAL A 80 -7.911 -5.857 1.981 1.00 0.00 C ATOM 1281 CG1 VAL A 80 -8.811 -5.733 3.210 1.00 0.00 C ATOM 1282 CG2 VAL A 80 -7.565 -4.461 1.458 1.00 0.00 C ATOM 0 H VAL A 80 -5.972 -4.673 3.001 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.867 -7.415 3.044 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.431 -6.414 1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.726 -5.206 2.939 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -9.061 -6.727 3.580 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.289 -5.177 3.989 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.481 -3.937 1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.043 -3.901 2.234 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.924 -4.550 0.581 1.00 0.00 H new ATOM 1292 N THR A 81 -5.246 -6.375 0.371 1.00 0.00 N ATOM 1293 CA THR A 81 -4.590 -6.899 -0.861 1.00 0.00 C ATOM 1294 C THR A 81 -3.509 -7.906 -0.468 1.00 0.00 C ATOM 1295 O THR A 81 -3.019 -8.655 -1.289 1.00 0.00 O ATOM 1296 CB THR A 81 -3.958 -5.743 -1.642 1.00 0.00 C ATOM 1297 OG1 THR A 81 -4.919 -4.713 -1.835 1.00 0.00 O ATOM 1298 CG2 THR A 81 -3.474 -6.247 -3.003 1.00 0.00 C ATOM 0 H THR A 81 -5.080 -5.388 0.569 1.00 0.00 H new ATOM 0 HA THR A 81 -5.334 -7.389 -1.489 1.00 0.00 H new ATOM 0 HB THR A 81 -3.113 -5.349 -1.078 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.973 -4.160 -1.027 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.025 -5.423 -3.557 1.00 0.00 H new ATOM 0 HG22 THR A 81 -2.733 -7.033 -2.857 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.319 -6.644 -3.565 1.00 0.00 H new ATOM 1306 N THR A 82 -3.139 -7.936 0.782 1.00 0.00 N ATOM 1307 CA THR A 82 -2.095 -8.901 1.227 1.00 0.00 C ATOM 1308 C THR A 82 -2.760 -10.057 1.974 1.00 0.00 C ATOM 1309 O THR A 82 -2.152 -11.078 2.226 1.00 0.00 O ATOM 1310 CB THR A 82 -1.106 -8.200 2.159 1.00 0.00 C ATOM 1311 OG1 THR A 82 -1.807 -7.296 2.999 1.00 0.00 O ATOM 1312 CG2 THR A 82 -0.074 -7.436 1.329 1.00 0.00 C ATOM 0 H THR A 82 -3.514 -7.334 1.515 1.00 0.00 H new ATOM 0 HA THR A 82 -1.562 -9.282 0.356 1.00 0.00 H new ATOM 0 HB THR A 82 -0.596 -8.943 2.773 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.707 -6.384 2.654 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.630 -6.937 1.994 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.465 -8.133 0.687 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.580 -6.693 0.713 1.00 0.00 H new ATOM 1320 N ALA A 83 -4.005 -9.905 2.332 1.00 0.00 N ATOM 1321 CA ALA A 83 -4.709 -10.996 3.064 1.00 0.00 C ATOM 1322 C ALA A 83 -5.257 -12.017 2.063 1.00 0.00 C ATOM 1323 O ALA A 83 -6.378 -12.471 2.178 1.00 0.00 O ATOM 1324 CB ALA A 83 -5.864 -10.403 3.871 1.00 0.00 C ATOM 0 H ALA A 83 -4.566 -9.073 2.149 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.009 -11.491 3.737 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.380 -11.200 4.407 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.474 -9.678 4.586 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.563 -9.908 3.197 1.00 0.00 H new ATOM 1481 N SER B 1 -8.793 -0.459 -13.273 1.00 0.00 N ATOM 1482 CA SER B 1 -8.826 0.795 -12.470 1.00 0.00 C ATOM 1483 C SER B 1 -7.436 1.075 -11.897 1.00 0.00 C ATOM 1484 O SER B 1 -6.516 0.299 -12.063 1.00 0.00 O ATOM 1485 CB SER B 1 -9.826 0.642 -11.326 1.00 0.00 C ATOM 1486 OG SER B 1 -9.530 -0.541 -10.595 1.00 0.00 O ATOM 0 H1 SER B 1 -9.179 -0.275 -14.221 1.00 0.00 H new ATOM 0 H2 SER B 1 -7.811 -0.791 -13.358 1.00 0.00 H new ATOM 0 H3 SER B 1 -9.366 -1.188 -12.802 1.00 0.00 H new ATOM 0 HA SER B 1 -9.128 1.625 -13.109 1.00 0.00 H new ATOM 0 HB2 SER B 1 -9.779 1.510 -10.669 1.00 0.00 H new ATOM 0 HB3 SER B 1 -10.841 0.595 -11.720 1.00 0.00 H new ATOM 0 HG SER B 1 -10.342 -0.862 -10.150 1.00 0.00 H new ATOM 1492 N GLU B 2 -7.279 2.181 -11.225 1.00 0.00 N ATOM 1493 CA GLU B 2 -5.951 2.518 -10.641 1.00 0.00 C ATOM 1494 C GLU B 2 -5.680 1.618 -9.433 1.00 0.00 C ATOM 1495 O GLU B 2 -4.567 1.200 -9.197 1.00 0.00 O ATOM 1496 CB GLU B 2 -5.950 3.981 -10.191 1.00 0.00 C ATOM 1497 CG GLU B 2 -6.642 4.844 -11.250 1.00 0.00 C ATOM 1498 CD GLU B 2 -6.052 4.534 -12.627 1.00 0.00 C ATOM 1499 OE1 GLU B 2 -4.902 4.879 -12.848 1.00 0.00 O ATOM 1500 OE2 GLU B 2 -6.760 3.959 -13.436 1.00 0.00 O ATOM 0 H GLU B 2 -8.014 2.867 -11.055 1.00 0.00 H new ATOM 0 HA GLU B 2 -5.176 2.364 -11.392 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -6.464 4.078 -9.235 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -4.927 4.325 -10.039 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -7.714 4.648 -11.250 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -6.511 5.900 -11.016 1.00 0.00 H new ATOM 1507 N LEU B 3 -6.688 1.322 -8.661 1.00 0.00 N ATOM 1508 CA LEU B 3 -6.483 0.457 -7.464 1.00 0.00 C ATOM 1509 C LEU B 3 -6.157 -0.973 -7.894 1.00 0.00 C ATOM 1510 O LEU B 3 -5.313 -1.625 -7.318 1.00 0.00 O ATOM 1511 CB LEU B 3 -7.761 0.442 -6.628 1.00 0.00 C ATOM 1512 CG LEU B 3 -7.403 0.243 -5.156 1.00 0.00 C ATOM 1513 CD1 LEU B 3 -6.937 1.575 -4.562 1.00 0.00 C ATOM 1514 CD2 LEU B 3 -8.634 -0.259 -4.395 1.00 0.00 C ATOM 0 H LEU B 3 -7.646 1.641 -8.807 1.00 0.00 H new ATOM 0 HA LEU B 3 -5.654 0.855 -6.879 1.00 0.00 H new ATOM 0 HB2 LEU B 3 -8.305 1.378 -6.758 1.00 0.00 H new ATOM 0 HB3 LEU B 3 -8.420 -0.359 -6.965 1.00 0.00 H new ATOM 0 HG LEU B 3 -6.602 -0.491 -5.070 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -6.681 1.435 -3.512 1.00 0.00 H new ATOM 0 HD12 LEU B 3 -6.061 1.929 -5.105 1.00 0.00 H new ATOM 0 HD13 LEU B 3 -7.737 2.310 -4.646 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -8.379 -0.401 -3.345 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -9.437 0.474 -4.478 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -8.963 -1.207 -4.820 1.00 0.00 H new ATOM 1526 N GLU B 4 -6.834 -1.472 -8.884 1.00 0.00 N ATOM 1527 CA GLU B 4 -6.576 -2.871 -9.331 1.00 0.00 C ATOM 1528 C GLU B 4 -5.228 -2.967 -10.052 1.00 0.00 C ATOM 1529 O GLU B 4 -4.336 -3.671 -9.624 1.00 0.00 O ATOM 1530 CB GLU B 4 -7.692 -3.308 -10.281 1.00 0.00 C ATOM 1531 CG GLU B 4 -7.312 -4.633 -10.944 1.00 0.00 C ATOM 1532 CD GLU B 4 -7.195 -4.429 -12.454 1.00 0.00 C ATOM 1533 OE1 GLU B 4 -8.050 -3.759 -13.010 1.00 0.00 O ATOM 1534 OE2 GLU B 4 -6.252 -4.944 -13.030 1.00 0.00 O ATOM 0 H GLU B 4 -7.556 -0.975 -9.406 1.00 0.00 H new ATOM 0 HA GLU B 4 -6.551 -3.522 -8.457 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -8.627 -3.419 -9.733 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -7.857 -2.544 -11.041 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -6.367 -4.996 -10.541 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -8.064 -5.391 -10.725 1.00 0.00 H new ATOM 1541 N LYS B 5 -5.077 -2.287 -11.152 1.00 0.00 N ATOM 1542 CA LYS B 5 -3.794 -2.364 -11.907 1.00 0.00 C ATOM 1543 C LYS B 5 -2.626 -1.871 -11.045 1.00 0.00 C ATOM 1544 O LYS B 5 -1.533 -2.393 -11.118 1.00 0.00 O ATOM 1545 CB LYS B 5 -3.894 -1.503 -13.168 1.00 0.00 C ATOM 1546 CG LYS B 5 -3.835 -0.023 -12.786 1.00 0.00 C ATOM 1547 CD LYS B 5 -4.462 0.818 -13.901 1.00 0.00 C ATOM 1548 CE LYS B 5 -3.366 1.324 -14.841 1.00 0.00 C ATOM 1549 NZ LYS B 5 -3.983 2.114 -15.944 1.00 0.00 N ATOM 0 H LYS B 5 -5.786 -1.680 -11.563 1.00 0.00 H new ATOM 0 HA LYS B 5 -3.612 -3.404 -12.179 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -3.080 -1.745 -13.851 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -4.825 -1.716 -13.693 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -4.366 0.143 -11.849 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -2.801 0.281 -12.625 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -5.185 0.222 -14.457 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -5.005 1.660 -13.473 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -2.656 1.941 -14.290 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -2.806 0.483 -15.251 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -3.238 2.458 -16.583 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -4.644 1.512 -16.475 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -4.498 2.924 -15.545 1.00 0.00 H new ATOM 1563 N ALA B 6 -2.836 -0.863 -10.242 1.00 0.00 N ATOM 1564 CA ALA B 6 -1.719 -0.345 -9.399 1.00 0.00 C ATOM 1565 C ALA B 6 -1.528 -1.231 -8.164 1.00 0.00 C ATOM 1566 O ALA B 6 -0.477 -1.802 -7.960 1.00 0.00 O ATOM 1567 CB ALA B 6 -2.031 1.085 -8.956 1.00 0.00 C ATOM 0 H ALA B 6 -3.727 -0.378 -10.133 1.00 0.00 H new ATOM 0 HA ALA B 6 -0.802 -0.356 -9.987 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -1.214 1.462 -8.340 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -2.147 1.721 -9.834 1.00 0.00 H new ATOM 0 HB3 ALA B 6 -2.955 1.093 -8.378 1.00 0.00 H new ATOM 1573 N MET B 7 -2.528 -1.347 -7.335 1.00 0.00 N ATOM 1574 CA MET B 7 -2.386 -2.194 -6.116 1.00 0.00 C ATOM 1575 C MET B 7 -1.874 -3.575 -6.521 1.00 0.00 C ATOM 1576 O MET B 7 -0.853 -4.036 -6.048 1.00 0.00 O ATOM 1577 CB MET B 7 -3.745 -2.337 -5.429 1.00 0.00 C ATOM 1578 CG MET B 7 -3.556 -2.944 -4.038 1.00 0.00 C ATOM 1579 SD MET B 7 -2.652 -1.778 -2.990 1.00 0.00 S ATOM 1580 CE MET B 7 -1.750 -3.006 -2.016 1.00 0.00 C ATOM 0 H MET B 7 -3.435 -0.894 -7.448 1.00 0.00 H new ATOM 0 HA MET B 7 -1.681 -1.727 -5.428 1.00 0.00 H new ATOM 0 HB2 MET B 7 -4.228 -1.363 -5.349 1.00 0.00 H new ATOM 0 HB3 MET B 7 -4.401 -2.970 -6.027 1.00 0.00 H new ATOM 0 HG2 MET B 7 -4.525 -3.173 -3.594 1.00 0.00 H new ATOM 0 HG3 MET B 7 -3.009 -3.884 -4.111 1.00 0.00 H new ATOM 0 HE1 MET B 7 -1.170 -2.502 -1.243 1.00 0.00 H new ATOM 0 HE2 MET B 7 -2.457 -3.692 -1.550 1.00 0.00 H new ATOM 0 HE3 MET B 7 -1.078 -3.565 -2.667 1.00 0.00 H new ATOM 1590 N VAL B 8 -2.574 -4.232 -7.398 1.00 0.00 N ATOM 1591 CA VAL B 8 -2.133 -5.583 -7.842 1.00 0.00 C ATOM 1592 C VAL B 8 -0.745 -5.469 -8.478 1.00 0.00 C ATOM 1593 O VAL B 8 0.030 -6.404 -8.473 1.00 0.00 O ATOM 1594 CB VAL B 8 -3.129 -6.136 -8.863 1.00 0.00 C ATOM 1595 CG1 VAL B 8 -2.868 -7.627 -9.075 1.00 0.00 C ATOM 1596 CG2 VAL B 8 -4.554 -5.945 -8.341 1.00 0.00 C ATOM 0 H VAL B 8 -3.434 -3.893 -7.828 1.00 0.00 H new ATOM 0 HA VAL B 8 -2.089 -6.258 -6.988 1.00 0.00 H new ATOM 0 HB VAL B 8 -3.010 -5.605 -9.807 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -3.578 -8.021 -9.802 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -1.853 -7.770 -9.445 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -2.987 -8.155 -8.129 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -5.264 -6.339 -9.068 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -4.670 -6.476 -7.396 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -4.745 -4.883 -8.186 1.00 0.00 H new ATOM 1606 N ALA B 9 -0.427 -4.324 -9.020 1.00 0.00 N ATOM 1607 CA ALA B 9 0.911 -4.137 -9.651 1.00 0.00 C ATOM 1608 C ALA B 9 1.996 -4.266 -8.582 1.00 0.00 C ATOM 1609 O ALA B 9 3.007 -4.907 -8.785 1.00 0.00 O ATOM 1610 CB ALA B 9 0.989 -2.745 -10.283 1.00 0.00 C ATOM 0 H ALA B 9 -1.038 -3.508 -9.053 1.00 0.00 H new ATOM 0 HA ALA B 9 1.059 -4.895 -10.420 1.00 0.00 H new ATOM 0 HB1 ALA B 9 1.967 -2.609 -10.744 1.00 0.00 H new ATOM 0 HB2 ALA B 9 0.213 -2.646 -11.042 1.00 0.00 H new ATOM 0 HB3 ALA B 9 0.842 -1.987 -9.513 1.00 0.00 H new ATOM 1616 N LEU B 10 1.793 -3.662 -7.444 1.00 0.00 N ATOM 1617 CA LEU B 10 2.811 -3.752 -6.364 1.00 0.00 C ATOM 1618 C LEU B 10 3.067 -5.222 -6.039 1.00 0.00 C ATOM 1619 O LEU B 10 4.173 -5.617 -5.734 1.00 0.00 O ATOM 1620 CB LEU B 10 2.299 -3.030 -5.117 1.00 0.00 C ATOM 1621 CG LEU B 10 3.135 -1.772 -4.879 1.00 0.00 C ATOM 1622 CD1 LEU B 10 2.210 -0.572 -4.682 1.00 0.00 C ATOM 1623 CD2 LEU B 10 3.996 -1.962 -3.628 1.00 0.00 C ATOM 0 H LEU B 10 0.966 -3.110 -7.217 1.00 0.00 H new ATOM 0 HA LEU B 10 3.739 -3.284 -6.693 1.00 0.00 H new ATOM 0 HB2 LEU B 10 1.249 -2.764 -5.243 1.00 0.00 H new ATOM 0 HB3 LEU B 10 2.359 -3.689 -4.251 1.00 0.00 H new ATOM 0 HG LEU B 10 3.778 -1.596 -5.741 1.00 0.00 H new ATOM 0 HD11 LEU B 10 2.807 0.324 -4.512 1.00 0.00 H new ATOM 0 HD12 LEU B 10 1.596 -0.436 -5.572 1.00 0.00 H new ATOM 0 HD13 LEU B 10 1.566 -0.747 -3.820 1.00 0.00 H new ATOM 0 HD21 LEU B 10 4.592 -1.066 -3.457 1.00 0.00 H new ATOM 0 HD22 LEU B 10 3.352 -2.139 -2.767 1.00 0.00 H new ATOM 0 HD23 LEU B 10 4.658 -2.817 -3.768 1.00 0.00 H new ATOM 1635 N ILE B 11 2.053 -6.041 -6.113 1.00 0.00 N ATOM 1636 CA ILE B 11 2.244 -7.488 -5.820 1.00 0.00 C ATOM 1637 C ILE B 11 3.168 -8.093 -6.879 1.00 0.00 C ATOM 1638 O ILE B 11 3.938 -8.992 -6.606 1.00 0.00 O ATOM 1639 CB ILE B 11 0.886 -8.197 -5.849 1.00 0.00 C ATOM 1640 CG1 ILE B 11 0.120 -7.881 -4.563 1.00 0.00 C ATOM 1641 CG2 ILE B 11 1.094 -9.709 -5.952 1.00 0.00 C ATOM 1642 CD1 ILE B 11 0.012 -6.365 -4.395 1.00 0.00 C ATOM 0 H ILE B 11 1.102 -5.770 -6.363 1.00 0.00 H new ATOM 0 HA ILE B 11 2.690 -7.612 -4.833 1.00 0.00 H new ATOM 0 HB ILE B 11 0.318 -7.849 -6.712 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.875 -8.325 -4.601 1.00 0.00 H new ATOM 0 HG13 ILE B 11 0.632 -8.317 -3.705 1.00 0.00 H new ATOM 0 HG21 ILE B 11 0.126 -10.209 -5.972 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.641 -9.940 -6.866 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.664 -10.057 -5.091 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.534 -6.138 -3.479 1.00 0.00 H new ATOM 0 HD12 ILE B 11 1.011 -5.933 -4.338 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -0.519 -5.941 -5.248 1.00 0.00 H new ATOM 1654 N ASP B 12 3.098 -7.602 -8.086 1.00 0.00 N ATOM 1655 CA ASP B 12 3.970 -8.143 -9.166 1.00 0.00 C ATOM 1656 C ASP B 12 5.428 -7.784 -8.872 1.00 0.00 C ATOM 1657 O ASP B 12 6.288 -8.638 -8.814 1.00 0.00 O ATOM 1658 CB ASP B 12 3.552 -7.532 -10.506 1.00 0.00 C ATOM 1659 CG ASP B 12 4.094 -8.388 -11.652 1.00 0.00 C ATOM 1660 OD1 ASP B 12 5.214 -8.142 -12.070 1.00 0.00 O ATOM 1661 OD2 ASP B 12 3.380 -9.273 -12.092 1.00 0.00 O ATOM 0 H ASP B 12 2.473 -6.848 -8.371 1.00 0.00 H new ATOM 0 HA ASP B 12 3.867 -9.227 -9.211 1.00 0.00 H new ATOM 0 HB2 ASP B 12 2.465 -7.472 -10.566 1.00 0.00 H new ATOM 0 HB3 ASP B 12 3.933 -6.514 -10.588 1.00 0.00 H new ATOM 1666 N VAL B 13 5.709 -6.523 -8.683 1.00 0.00 N ATOM 1667 CA VAL B 13 7.109 -6.103 -8.389 1.00 0.00 C ATOM 1668 C VAL B 13 7.634 -6.909 -7.197 1.00 0.00 C ATOM 1669 O VAL B 13 8.666 -7.546 -7.266 1.00 0.00 O ATOM 1670 CB VAL B 13 7.114 -4.587 -8.088 1.00 0.00 C ATOM 1671 CG1 VAL B 13 7.602 -4.288 -6.665 1.00 0.00 C ATOM 1672 CG2 VAL B 13 8.030 -3.877 -9.086 1.00 0.00 C ATOM 0 H VAL B 13 5.028 -5.764 -8.720 1.00 0.00 H new ATOM 0 HA VAL B 13 7.761 -6.293 -9.242 1.00 0.00 H new ATOM 0 HB VAL B 13 6.089 -4.226 -8.178 1.00 0.00 H new ATOM 0 HG11 VAL B 13 7.590 -3.211 -6.495 1.00 0.00 H new ATOM 0 HG12 VAL B 13 6.945 -4.776 -5.945 1.00 0.00 H new ATOM 0 HG13 VAL B 13 8.618 -4.663 -6.542 1.00 0.00 H new ATOM 0 HG21 VAL B 13 8.036 -2.807 -8.877 1.00 0.00 H new ATOM 0 HG22 VAL B 13 9.042 -4.270 -8.994 1.00 0.00 H new ATOM 0 HG23 VAL B 13 7.665 -4.047 -10.099 1.00 0.00 H new ATOM 1682 N PHE B 14 6.929 -6.872 -6.107 1.00 0.00 N ATOM 1683 CA PHE B 14 7.373 -7.624 -4.899 1.00 0.00 C ATOM 1684 C PHE B 14 7.852 -9.022 -5.295 1.00 0.00 C ATOM 1685 O PHE B 14 8.756 -9.569 -4.698 1.00 0.00 O ATOM 1686 CB PHE B 14 6.208 -7.752 -3.920 1.00 0.00 C ATOM 1687 CG PHE B 14 6.644 -8.565 -2.725 1.00 0.00 C ATOM 1688 CD1 PHE B 14 7.447 -7.981 -1.739 1.00 0.00 C ATOM 1689 CD2 PHE B 14 6.249 -9.903 -2.604 1.00 0.00 C ATOM 1690 CE1 PHE B 14 7.853 -8.734 -0.631 1.00 0.00 C ATOM 1691 CE2 PHE B 14 6.655 -10.657 -1.496 1.00 0.00 C ATOM 1692 CZ PHE B 14 7.458 -10.072 -0.510 1.00 0.00 C ATOM 0 H PHE B 14 6.059 -6.351 -5.996 1.00 0.00 H new ATOM 0 HA PHE B 14 8.194 -7.083 -4.429 1.00 0.00 H new ATOM 0 HB2 PHE B 14 5.877 -6.764 -3.600 1.00 0.00 H new ATOM 0 HB3 PHE B 14 5.359 -8.230 -4.409 1.00 0.00 H new ATOM 0 HD1 PHE B 14 7.753 -6.950 -1.833 1.00 0.00 H new ATOM 0 HD2 PHE B 14 5.631 -10.354 -3.366 1.00 0.00 H new ATOM 0 HE1 PHE B 14 8.471 -8.283 0.131 1.00 0.00 H new ATOM 0 HE2 PHE B 14 6.349 -11.688 -1.402 1.00 0.00 H new ATOM 0 HZ PHE B 14 7.773 -10.653 0.344 1.00 0.00 H new ATOM 1702 N HIS B 15 7.246 -9.613 -6.288 1.00 0.00 N ATOM 1703 CA HIS B 15 7.665 -10.981 -6.705 1.00 0.00 C ATOM 1704 C HIS B 15 8.904 -10.895 -7.599 1.00 0.00 C ATOM 1705 O HIS B 15 9.776 -11.737 -7.544 1.00 0.00 O ATOM 1706 CB HIS B 15 6.526 -11.650 -7.477 1.00 0.00 C ATOM 1707 CG HIS B 15 6.459 -13.107 -7.107 1.00 0.00 C ATOM 1708 ND1 HIS B 15 6.864 -14.107 -7.975 1.00 0.00 N ATOM 1709 CD2 HIS B 15 6.038 -13.747 -5.968 1.00 0.00 C ATOM 1710 CE1 HIS B 15 6.679 -15.285 -7.351 1.00 0.00 C ATOM 1711 NE2 HIS B 15 6.178 -15.123 -6.124 1.00 0.00 N ATOM 0 H HIS B 15 6.481 -9.209 -6.828 1.00 0.00 H new ATOM 0 HA HIS B 15 7.902 -11.569 -5.818 1.00 0.00 H new ATOM 0 HB2 HIS B 15 5.579 -11.161 -7.246 1.00 0.00 H new ATOM 0 HB3 HIS B 15 6.687 -11.543 -8.550 1.00 0.00 H new ATOM 0 HD2 HIS B 15 5.656 -13.257 -5.085 1.00 0.00 H new ATOM 0 HE1 HIS B 15 6.908 -16.245 -7.790 1.00 0.00 H new ATOM 0 HE2 HIS B 15 5.948 -15.850 -5.447 1.00 0.00 H new ATOM 1719 N GLN B 16 8.988 -9.890 -8.425 1.00 0.00 N ATOM 1720 CA GLN B 16 10.171 -9.759 -9.323 1.00 0.00 C ATOM 1721 C GLN B 16 11.446 -9.630 -8.487 1.00 0.00 C ATOM 1722 O GLN B 16 12.419 -10.320 -8.713 1.00 0.00 O ATOM 1723 CB GLN B 16 10.011 -8.518 -10.201 1.00 0.00 C ATOM 1724 CG GLN B 16 10.649 -8.775 -11.568 1.00 0.00 C ATOM 1725 CD GLN B 16 9.572 -8.731 -12.652 1.00 0.00 C ATOM 1726 OE1 GLN B 16 8.800 -9.659 -12.795 1.00 0.00 O ATOM 1727 NE2 GLN B 16 9.486 -7.686 -13.427 1.00 0.00 N ATOM 0 H GLN B 16 8.289 -9.153 -8.518 1.00 0.00 H new ATOM 0 HA GLN B 16 10.242 -10.646 -9.953 1.00 0.00 H new ATOM 0 HB2 GLN B 16 8.955 -8.277 -10.320 1.00 0.00 H new ATOM 0 HB3 GLN B 16 10.482 -7.659 -9.724 1.00 0.00 H new ATOM 0 HG2 GLN B 16 11.414 -8.025 -11.770 1.00 0.00 H new ATOM 0 HG3 GLN B 16 11.145 -9.746 -11.573 1.00 0.00 H new ATOM 0 HE21 GLN B 16 10.134 -6.907 -13.307 1.00 0.00 H new ATOM 0 HE22 GLN B 16 8.771 -7.647 -14.153 1.00 0.00 H new ATOM 1736 N TYR B 17 11.454 -8.746 -7.528 1.00 0.00 N ATOM 1737 CA TYR B 17 12.671 -8.571 -6.686 1.00 0.00 C ATOM 1738 C TYR B 17 12.955 -9.859 -5.912 1.00 0.00 C ATOM 1739 O TYR B 17 14.088 -10.274 -5.774 1.00 0.00 O ATOM 1740 CB TYR B 17 12.448 -7.419 -5.704 1.00 0.00 C ATOM 1741 CG TYR B 17 12.599 -6.103 -6.430 1.00 0.00 C ATOM 1742 CD1 TYR B 17 11.493 -5.519 -7.058 1.00 0.00 C ATOM 1743 CD2 TYR B 17 13.845 -5.466 -6.475 1.00 0.00 C ATOM 1744 CE1 TYR B 17 11.633 -4.299 -7.731 1.00 0.00 C ATOM 1745 CE2 TYR B 17 13.986 -4.246 -7.148 1.00 0.00 C ATOM 1746 CZ TYR B 17 12.879 -3.662 -7.776 1.00 0.00 C ATOM 1747 OH TYR B 17 13.017 -2.460 -8.440 1.00 0.00 O ATOM 0 H TYR B 17 10.671 -8.137 -7.291 1.00 0.00 H new ATOM 0 HA TYR B 17 13.524 -8.344 -7.326 1.00 0.00 H new ATOM 0 HB2 TYR B 17 11.454 -7.491 -5.262 1.00 0.00 H new ATOM 0 HB3 TYR B 17 13.166 -7.480 -4.886 1.00 0.00 H new ATOM 0 HD1 TYR B 17 10.531 -6.009 -7.024 1.00 0.00 H new ATOM 0 HD2 TYR B 17 14.699 -5.916 -5.990 1.00 0.00 H new ATOM 0 HE1 TYR B 17 10.779 -3.849 -8.216 1.00 0.00 H new ATOM 0 HE2 TYR B 17 14.948 -3.756 -7.183 1.00 0.00 H new ATOM 0 HH TYR B 17 12.142 -2.164 -8.766 1.00 0.00 H new ATOM 1757 N SER B 18 11.938 -10.499 -5.404 1.00 0.00 N ATOM 1758 CA SER B 18 12.160 -11.760 -4.641 1.00 0.00 C ATOM 1759 C SER B 18 11.969 -12.957 -5.574 1.00 0.00 C ATOM 1760 O SER B 18 11.898 -14.090 -5.141 1.00 0.00 O ATOM 1761 CB SER B 18 11.156 -11.845 -3.491 1.00 0.00 C ATOM 1762 OG SER B 18 11.112 -13.180 -3.004 1.00 0.00 O ATOM 0 H SER B 18 10.965 -10.204 -5.484 1.00 0.00 H new ATOM 0 HA SER B 18 13.173 -11.769 -4.239 1.00 0.00 H new ATOM 0 HB2 SER B 18 11.443 -11.163 -2.691 1.00 0.00 H new ATOM 0 HB3 SER B 18 10.168 -11.537 -3.832 1.00 0.00 H new ATOM 0 HG SER B 18 11.379 -13.193 -2.061 1.00 0.00 H new ATOM 1855 N HIS B 25 8.956 -15.796 -1.959 1.00 0.00 N ATOM 1856 CA HIS B 25 7.920 -15.509 -0.929 1.00 0.00 C ATOM 1857 C HIS B 25 8.536 -14.689 0.207 1.00 0.00 C ATOM 1858 O HIS B 25 7.928 -14.490 1.239 1.00 0.00 O ATOM 1859 CB HIS B 25 7.377 -16.827 -0.371 1.00 0.00 C ATOM 1860 CG HIS B 25 6.358 -16.541 0.697 1.00 0.00 C ATOM 1861 ND1 HIS B 25 6.694 -16.468 2.040 1.00 0.00 N ATOM 1862 CD2 HIS B 25 5.007 -16.306 0.636 1.00 0.00 C ATOM 1863 CE1 HIS B 25 5.568 -16.199 2.725 1.00 0.00 C ATOM 1864 NE2 HIS B 25 4.511 -16.090 1.917 1.00 0.00 N ATOM 0 HA HIS B 25 7.107 -14.943 -1.383 1.00 0.00 H new ATOM 0 HB2 HIS B 25 6.925 -17.414 -1.171 1.00 0.00 H new ATOM 0 HB3 HIS B 25 8.192 -17.423 0.040 1.00 0.00 H new ATOM 0 HD2 HIS B 25 4.419 -16.291 -0.269 1.00 0.00 H new ATOM 0 HE1 HIS B 25 5.524 -16.085 3.798 1.00 0.00 H new ATOM 0 HE2 HIS B 25 3.546 -15.891 2.182 1.00 0.00 H new ATOM 1872 N LYS B 26 9.737 -14.212 0.029 1.00 0.00 N ATOM 1873 CA LYS B 26 10.385 -13.409 1.104 1.00 0.00 C ATOM 1874 C LYS B 26 11.323 -12.375 0.479 1.00 0.00 C ATOM 1875 O LYS B 26 11.938 -12.612 -0.540 1.00 0.00 O ATOM 1876 CB LYS B 26 11.186 -14.338 2.016 1.00 0.00 C ATOM 1877 CG LYS B 26 12.339 -14.955 1.223 1.00 0.00 C ATOM 1878 CD LYS B 26 13.206 -15.796 2.158 1.00 0.00 C ATOM 1879 CE LYS B 26 14.678 -15.590 1.805 1.00 0.00 C ATOM 1880 NZ LYS B 26 15.180 -14.352 2.467 1.00 0.00 N ATOM 0 H LYS B 26 10.297 -14.343 -0.813 1.00 0.00 H new ATOM 0 HA LYS B 26 9.619 -12.896 1.686 1.00 0.00 H new ATOM 0 HB2 LYS B 26 11.573 -13.783 2.870 1.00 0.00 H new ATOM 0 HB3 LYS B 26 10.541 -15.122 2.412 1.00 0.00 H new ATOM 0 HG2 LYS B 26 11.949 -15.575 0.416 1.00 0.00 H new ATOM 0 HG3 LYS B 26 12.938 -14.170 0.761 1.00 0.00 H new ATOM 0 HD2 LYS B 26 13.026 -15.511 3.194 1.00 0.00 H new ATOM 0 HD3 LYS B 26 12.943 -16.850 2.067 1.00 0.00 H new ATOM 0 HE2 LYS B 26 15.264 -16.451 2.127 1.00 0.00 H new ATOM 0 HE3 LYS B 26 14.796 -15.511 0.724 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 16.162 -14.175 2.173 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 14.585 -13.545 2.191 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 15.144 -14.472 3.499 1.00 0.00 H new ATOM 1894 N LEU B 27 11.440 -11.228 1.088 1.00 0.00 N ATOM 1895 CA LEU B 27 12.337 -10.174 0.539 1.00 0.00 C ATOM 1896 C LEU B 27 13.441 -9.878 1.555 1.00 0.00 C ATOM 1897 O LEU B 27 13.689 -10.655 2.456 1.00 0.00 O ATOM 1898 CB LEU B 27 11.523 -8.905 0.279 1.00 0.00 C ATOM 1899 CG LEU B 27 11.331 -8.718 -1.227 1.00 0.00 C ATOM 1900 CD1 LEU B 27 10.593 -7.405 -1.488 1.00 0.00 C ATOM 1901 CD2 LEU B 27 12.697 -8.680 -1.915 1.00 0.00 C ATOM 0 H LEU B 27 10.951 -10.975 1.946 1.00 0.00 H new ATOM 0 HA LEU B 27 12.783 -10.515 -0.395 1.00 0.00 H new ATOM 0 HB2 LEU B 27 10.554 -8.975 0.773 1.00 0.00 H new ATOM 0 HB3 LEU B 27 12.035 -8.040 0.701 1.00 0.00 H new ATOM 0 HG LEU B 27 10.747 -9.548 -1.624 1.00 0.00 H new ATOM 0 HD11 LEU B 27 10.456 -7.272 -2.561 1.00 0.00 H new ATOM 0 HD12 LEU B 27 9.619 -7.431 -0.999 1.00 0.00 H new ATOM 0 HD13 LEU B 27 11.176 -6.574 -1.091 1.00 0.00 H new ATOM 0 HD21 LEU B 27 12.560 -8.547 -2.988 1.00 0.00 H new ATOM 0 HD22 LEU B 27 13.281 -7.850 -1.518 1.00 0.00 H new ATOM 0 HD23 LEU B 27 13.224 -9.616 -1.730 1.00 0.00 H new ATOM 1913 N LYS B 28 14.107 -8.764 1.422 1.00 0.00 N ATOM 1914 CA LYS B 28 15.191 -8.423 2.382 1.00 0.00 C ATOM 1915 C LYS B 28 15.087 -6.944 2.756 1.00 0.00 C ATOM 1916 O LYS B 28 14.809 -6.103 1.925 1.00 0.00 O ATOM 1917 CB LYS B 28 16.545 -8.693 1.729 1.00 0.00 C ATOM 1918 CG LYS B 28 17.391 -9.558 2.662 1.00 0.00 C ATOM 1919 CD LYS B 28 18.331 -10.435 1.833 1.00 0.00 C ATOM 1920 CE LYS B 28 19.669 -10.577 2.561 1.00 0.00 C ATOM 1921 NZ LYS B 28 20.535 -11.543 1.827 1.00 0.00 N ATOM 0 H LYS B 28 13.946 -8.075 0.688 1.00 0.00 H new ATOM 0 HA LYS B 28 15.094 -9.032 3.281 1.00 0.00 H new ATOM 0 HB2 LYS B 28 16.407 -9.197 0.773 1.00 0.00 H new ATOM 0 HB3 LYS B 28 17.056 -7.753 1.523 1.00 0.00 H new ATOM 0 HG2 LYS B 28 17.968 -8.926 3.338 1.00 0.00 H new ATOM 0 HG3 LYS B 28 16.746 -10.182 3.281 1.00 0.00 H new ATOM 0 HD2 LYS B 28 17.885 -11.417 1.675 1.00 0.00 H new ATOM 0 HD3 LYS B 28 18.485 -9.993 0.849 1.00 0.00 H new ATOM 0 HE2 LYS B 28 20.163 -9.608 2.628 1.00 0.00 H new ATOM 0 HE3 LYS B 28 19.505 -10.922 3.582 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 21.445 -11.639 2.322 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 20.064 -12.469 1.785 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 20.702 -11.195 0.861 1.00 0.00 H new ATOM 1935 N LYS B 29 15.303 -6.617 4.000 1.00 0.00 N ATOM 1936 CA LYS B 29 15.209 -5.191 4.422 1.00 0.00 C ATOM 1937 C LYS B 29 16.181 -4.342 3.596 1.00 0.00 C ATOM 1938 O LYS B 29 16.005 -3.151 3.448 1.00 0.00 O ATOM 1939 CB LYS B 29 15.559 -5.071 5.907 1.00 0.00 C ATOM 1940 CG LYS B 29 17.024 -5.449 6.121 1.00 0.00 C ATOM 1941 CD LYS B 29 17.268 -5.724 7.605 1.00 0.00 C ATOM 1942 CE LYS B 29 16.736 -4.554 8.432 1.00 0.00 C ATOM 1943 NZ LYS B 29 15.434 -4.932 9.047 1.00 0.00 N ATOM 0 H LYS B 29 15.540 -7.275 4.742 1.00 0.00 H new ATOM 0 HA LYS B 29 14.192 -4.835 4.259 1.00 0.00 H new ATOM 0 HB2 LYS B 29 15.382 -4.052 6.251 1.00 0.00 H new ATOM 0 HB3 LYS B 29 14.915 -5.723 6.497 1.00 0.00 H new ATOM 0 HG2 LYS B 29 17.273 -6.331 5.531 1.00 0.00 H new ATOM 0 HG3 LYS B 29 17.673 -4.643 5.778 1.00 0.00 H new ATOM 0 HD2 LYS B 29 16.772 -6.648 7.901 1.00 0.00 H new ATOM 0 HD3 LYS B 29 18.333 -5.860 7.791 1.00 0.00 H new ATOM 0 HE2 LYS B 29 17.453 -4.288 9.208 1.00 0.00 H new ATOM 0 HE3 LYS B 29 16.610 -3.675 7.799 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 14.731 -4.189 8.856 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 15.106 -5.831 8.641 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 15.554 -5.040 10.074 1.00 0.00 H new ATOM 1957 N SER B 30 17.204 -4.943 3.054 1.00 0.00 N ATOM 1958 CA SER B 30 18.177 -4.159 2.238 1.00 0.00 C ATOM 1959 C SER B 30 17.606 -3.938 0.837 1.00 0.00 C ATOM 1960 O SER B 30 17.767 -2.885 0.252 1.00 0.00 O ATOM 1961 CB SER B 30 19.494 -4.927 2.140 1.00 0.00 C ATOM 1962 OG SER B 30 19.233 -6.321 2.237 1.00 0.00 O ATOM 0 H SER B 30 17.409 -5.939 3.139 1.00 0.00 H new ATOM 0 HA SER B 30 18.355 -3.194 2.712 1.00 0.00 H new ATOM 0 HB2 SER B 30 19.990 -4.703 1.195 1.00 0.00 H new ATOM 0 HB3 SER B 30 20.170 -4.616 2.936 1.00 0.00 H new ATOM 0 HG SER B 30 20.076 -6.817 2.173 1.00 0.00 H new ATOM 1968 N GLU B 31 16.934 -4.918 0.294 1.00 0.00 N ATOM 1969 CA GLU B 31 16.351 -4.749 -1.064 1.00 0.00 C ATOM 1970 C GLU B 31 15.108 -3.871 -0.961 1.00 0.00 C ATOM 1971 O GLU B 31 14.674 -3.277 -1.926 1.00 0.00 O ATOM 1972 CB GLU B 31 15.970 -6.114 -1.638 1.00 0.00 C ATOM 1973 CG GLU B 31 15.732 -5.984 -3.143 1.00 0.00 C ATOM 1974 CD GLU B 31 16.481 -7.096 -3.878 1.00 0.00 C ATOM 1975 OE1 GLU B 31 16.127 -8.248 -3.691 1.00 0.00 O ATOM 1976 OE2 GLU B 31 17.397 -6.775 -4.618 1.00 0.00 O ATOM 0 H GLU B 31 16.765 -5.824 0.732 1.00 0.00 H new ATOM 0 HA GLU B 31 17.082 -4.280 -1.722 1.00 0.00 H new ATOM 0 HB2 GLU B 31 16.763 -6.836 -1.445 1.00 0.00 H new ATOM 0 HB3 GLU B 31 15.072 -6.489 -1.148 1.00 0.00 H new ATOM 0 HG2 GLU B 31 14.665 -6.045 -3.359 1.00 0.00 H new ATOM 0 HG3 GLU B 31 16.073 -5.009 -3.493 1.00 0.00 H new ATOM 1983 N LEU B 32 14.542 -3.770 0.211 1.00 0.00 N ATOM 1984 CA LEU B 32 13.341 -2.912 0.387 1.00 0.00 C ATOM 1985 C LEU B 32 13.809 -1.466 0.516 1.00 0.00 C ATOM 1986 O LEU B 32 13.239 -0.559 -0.054 1.00 0.00 O ATOM 1987 CB LEU B 32 12.588 -3.329 1.653 1.00 0.00 C ATOM 1988 CG LEU B 32 11.500 -2.300 1.963 1.00 0.00 C ATOM 1989 CD1 LEU B 32 10.579 -2.149 0.753 1.00 0.00 C ATOM 1990 CD2 LEU B 32 10.683 -2.773 3.168 1.00 0.00 C ATOM 0 H LEU B 32 14.862 -4.246 1.054 1.00 0.00 H new ATOM 0 HA LEU B 32 12.671 -3.018 -0.466 1.00 0.00 H new ATOM 0 HB2 LEU B 32 12.143 -4.314 1.516 1.00 0.00 H new ATOM 0 HB3 LEU B 32 13.280 -3.406 2.492 1.00 0.00 H new ATOM 0 HG LEU B 32 11.962 -1.339 2.189 1.00 0.00 H new ATOM 0 HD11 LEU B 32 9.804 -1.415 0.975 1.00 0.00 H new ATOM 0 HD12 LEU B 32 11.160 -1.815 -0.107 1.00 0.00 H new ATOM 0 HD13 LEU B 32 10.116 -3.109 0.526 1.00 0.00 H new ATOM 0 HD21 LEU B 32 9.907 -2.041 3.391 1.00 0.00 H new ATOM 0 HD22 LEU B 32 10.221 -3.734 2.940 1.00 0.00 H new ATOM 0 HD23 LEU B 32 11.339 -2.881 4.032 1.00 0.00 H new ATOM 2002 N LYS B 33 14.867 -1.251 1.250 1.00 0.00 N ATOM 2003 CA LYS B 33 15.403 0.127 1.410 1.00 0.00 C ATOM 2004 C LYS B 33 15.734 0.684 0.029 1.00 0.00 C ATOM 2005 O LYS B 33 15.523 1.845 -0.259 1.00 0.00 O ATOM 2006 CB LYS B 33 16.678 0.070 2.254 1.00 0.00 C ATOM 2007 CG LYS B 33 16.889 1.408 2.965 1.00 0.00 C ATOM 2008 CD LYS B 33 18.195 1.367 3.758 1.00 0.00 C ATOM 2009 CE LYS B 33 18.542 2.775 4.246 1.00 0.00 C ATOM 2010 NZ LYS B 33 19.985 3.047 3.996 1.00 0.00 N ATOM 0 H LYS B 33 15.384 -1.976 1.747 1.00 0.00 H new ATOM 0 HA LYS B 33 14.668 0.765 1.901 1.00 0.00 H new ATOM 0 HB2 LYS B 33 16.605 -0.734 2.986 1.00 0.00 H new ATOM 0 HB3 LYS B 33 17.535 -0.154 1.619 1.00 0.00 H new ATOM 0 HG2 LYS B 33 16.920 2.218 2.236 1.00 0.00 H new ATOM 0 HG3 LYS B 33 16.052 1.612 3.633 1.00 0.00 H new ATOM 0 HD2 LYS B 33 18.096 0.691 4.607 1.00 0.00 H new ATOM 0 HD3 LYS B 33 19.000 0.979 3.134 1.00 0.00 H new ATOM 0 HE2 LYS B 33 17.927 3.512 3.729 1.00 0.00 H new ATOM 0 HE3 LYS B 33 18.323 2.867 5.310 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 20.220 4.004 4.328 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 20.563 2.351 4.508 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 20.180 2.976 2.977 1.00 0.00 H new ATOM 2024 N GLU B 34 16.245 -0.151 -0.828 1.00 0.00 N ATOM 2025 CA GLU B 34 16.591 0.295 -2.202 1.00 0.00 C ATOM 2026 C GLU B 34 15.315 0.316 -3.044 1.00 0.00 C ATOM 2027 O GLU B 34 15.154 1.115 -3.945 1.00 0.00 O ATOM 2028 CB GLU B 34 17.628 -0.680 -2.787 1.00 0.00 C ATOM 2029 CG GLU B 34 16.955 -1.802 -3.589 1.00 0.00 C ATOM 2030 CD GLU B 34 16.872 -1.399 -5.061 1.00 0.00 C ATOM 2031 OE1 GLU B 34 16.205 -0.420 -5.352 1.00 0.00 O ATOM 2032 OE2 GLU B 34 17.478 -2.075 -5.875 1.00 0.00 O ATOM 0 H GLU B 34 16.439 -1.133 -0.633 1.00 0.00 H new ATOM 0 HA GLU B 34 17.020 1.297 -2.196 1.00 0.00 H new ATOM 0 HB2 GLU B 34 18.319 -0.135 -3.431 1.00 0.00 H new ATOM 0 HB3 GLU B 34 18.219 -1.112 -1.979 1.00 0.00 H new ATOM 0 HG2 GLU B 34 17.522 -2.727 -3.486 1.00 0.00 H new ATOM 0 HG3 GLU B 34 15.956 -1.995 -3.197 1.00 0.00 H new ATOM 2039 N LEU B 35 14.411 -0.570 -2.744 1.00 0.00 N ATOM 2040 CA LEU B 35 13.132 -0.639 -3.503 1.00 0.00 C ATOM 2041 C LEU B 35 12.418 0.714 -3.443 1.00 0.00 C ATOM 2042 O LEU B 35 11.889 1.191 -4.426 1.00 0.00 O ATOM 2043 CB LEU B 35 12.237 -1.713 -2.876 1.00 0.00 C ATOM 2044 CG LEU B 35 11.627 -2.579 -3.978 1.00 0.00 C ATOM 2045 CD1 LEU B 35 11.066 -1.679 -5.081 1.00 0.00 C ATOM 2046 CD2 LEU B 35 12.707 -3.490 -4.563 1.00 0.00 C ATOM 0 H LEU B 35 14.504 -1.258 -1.997 1.00 0.00 H new ATOM 0 HA LEU B 35 13.340 -0.888 -4.544 1.00 0.00 H new ATOM 0 HB2 LEU B 35 12.819 -2.332 -2.193 1.00 0.00 H new ATOM 0 HB3 LEU B 35 11.447 -1.245 -2.288 1.00 0.00 H new ATOM 0 HG LEU B 35 10.824 -3.187 -3.562 1.00 0.00 H new ATOM 0 HD11 LEU B 35 10.631 -2.296 -5.867 1.00 0.00 H new ATOM 0 HD12 LEU B 35 10.298 -1.028 -4.664 1.00 0.00 H new ATOM 0 HD13 LEU B 35 11.869 -1.072 -5.499 1.00 0.00 H new ATOM 0 HD21 LEU B 35 12.274 -4.109 -5.349 1.00 0.00 H new ATOM 0 HD22 LEU B 35 13.509 -2.882 -4.980 1.00 0.00 H new ATOM 0 HD23 LEU B 35 13.108 -4.130 -3.777 1.00 0.00 H new ATOM 2058 N ILE B 36 12.387 1.330 -2.296 1.00 0.00 N ATOM 2059 CA ILE B 36 11.693 2.642 -2.175 1.00 0.00 C ATOM 2060 C ILE B 36 12.594 3.764 -2.698 1.00 0.00 C ATOM 2061 O ILE B 36 12.184 4.581 -3.496 1.00 0.00 O ATOM 2062 CB ILE B 36 11.359 2.914 -0.705 1.00 0.00 C ATOM 2063 CG1 ILE B 36 11.179 1.580 0.038 1.00 0.00 C ATOM 2064 CG2 ILE B 36 10.073 3.740 -0.625 1.00 0.00 C ATOM 2065 CD1 ILE B 36 10.354 1.790 1.312 1.00 0.00 C ATOM 0 H ILE B 36 12.812 0.982 -1.436 1.00 0.00 H new ATOM 0 HA ILE B 36 10.776 2.610 -2.763 1.00 0.00 H new ATOM 0 HB ILE B 36 12.172 3.470 -0.238 1.00 0.00 H new ATOM 0 HG12 ILE B 36 10.682 0.858 -0.611 1.00 0.00 H new ATOM 0 HG13 ILE B 36 12.153 1.163 0.292 1.00 0.00 H new ATOM 0 HG21 ILE B 36 9.831 3.936 0.420 1.00 0.00 H new ATOM 0 HG22 ILE B 36 10.215 4.686 -1.148 1.00 0.00 H new ATOM 0 HG23 ILE B 36 9.256 3.187 -1.089 1.00 0.00 H new ATOM 0 HD11 ILE B 36 10.234 0.838 1.829 1.00 0.00 H new ATOM 0 HD12 ILE B 36 10.867 2.495 1.966 1.00 0.00 H new ATOM 0 HD13 ILE B 36 9.373 2.186 1.049 1.00 0.00 H new ATOM 2077 N ASN B 37 13.815 3.818 -2.241 1.00 0.00 N ATOM 2078 CA ASN B 37 14.736 4.898 -2.697 1.00 0.00 C ATOM 2079 C ASN B 37 15.119 4.692 -4.166 1.00 0.00 C ATOM 2080 O ASN B 37 15.819 5.497 -4.747 1.00 0.00 O ATOM 2081 CB ASN B 37 16.001 4.882 -1.838 1.00 0.00 C ATOM 2082 CG ASN B 37 17.013 5.880 -2.401 1.00 0.00 C ATOM 2083 OD1 ASN B 37 16.853 7.074 -2.254 1.00 0.00 O ATOM 2084 ND2 ASN B 37 18.057 5.437 -3.045 1.00 0.00 N ATOM 0 H ASN B 37 14.215 3.161 -1.571 1.00 0.00 H new ATOM 0 HA ASN B 37 14.229 5.858 -2.596 1.00 0.00 H new ATOM 0 HB2 ASN B 37 15.757 5.138 -0.807 1.00 0.00 H new ATOM 0 HB3 ASN B 37 16.431 3.881 -1.824 1.00 0.00 H new ATOM 0 HD21 ASN B 37 18.739 6.094 -3.425 1.00 0.00 H new ATOM 0 HD22 ASN B 37 18.192 4.434 -3.169 1.00 0.00 H new ATOM 2091 N ASN B 38 14.674 3.627 -4.774 1.00 0.00 N ATOM 2092 CA ASN B 38 15.028 3.394 -6.203 1.00 0.00 C ATOM 2093 C ASN B 38 13.805 3.656 -7.085 1.00 0.00 C ATOM 2094 O ASN B 38 13.778 4.591 -7.862 1.00 0.00 O ATOM 2095 CB ASN B 38 15.494 1.947 -6.388 1.00 0.00 C ATOM 2096 CG ASN B 38 16.115 1.785 -7.776 1.00 0.00 C ATOM 2097 OD1 ASN B 38 16.741 2.694 -8.286 1.00 0.00 O ATOM 2098 ND2 ASN B 38 15.968 0.656 -8.415 1.00 0.00 N ATOM 0 H ASN B 38 14.085 2.912 -4.347 1.00 0.00 H new ATOM 0 HA ASN B 38 15.832 4.072 -6.490 1.00 0.00 H new ATOM 0 HB2 ASN B 38 16.222 1.687 -5.620 1.00 0.00 H new ATOM 0 HB3 ASN B 38 14.652 1.265 -6.273 1.00 0.00 H new ATOM 0 HD21 ASN B 38 16.378 0.537 -9.341 1.00 0.00 H new ATOM 0 HD22 ASN B 38 15.443 -0.107 -7.988 1.00 0.00 H new ATOM 2105 N GLU B 39 12.794 2.838 -6.976 1.00 0.00 N ATOM 2106 CA GLU B 39 11.578 3.041 -7.813 1.00 0.00 C ATOM 2107 C GLU B 39 10.992 4.429 -7.542 1.00 0.00 C ATOM 2108 O GLU B 39 10.971 5.284 -8.405 1.00 0.00 O ATOM 2109 CB GLU B 39 10.540 1.971 -7.467 1.00 0.00 C ATOM 2110 CG GLU B 39 11.133 0.585 -7.720 1.00 0.00 C ATOM 2111 CD GLU B 39 10.963 0.219 -9.194 1.00 0.00 C ATOM 2112 OE1 GLU B 39 11.421 0.982 -10.029 1.00 0.00 O ATOM 2113 OE2 GLU B 39 10.378 -0.817 -9.463 1.00 0.00 O ATOM 0 H GLU B 39 12.758 2.038 -6.344 1.00 0.00 H new ATOM 0 HA GLU B 39 11.846 2.963 -8.867 1.00 0.00 H new ATOM 0 HB2 GLU B 39 10.239 2.065 -6.423 1.00 0.00 H new ATOM 0 HB3 GLU B 39 9.643 2.110 -8.071 1.00 0.00 H new ATOM 0 HG2 GLU B 39 12.189 0.575 -7.451 1.00 0.00 H new ATOM 0 HG3 GLU B 39 10.637 -0.155 -7.091 1.00 0.00 H new ATOM 2120 N LEU B 40 10.513 4.659 -6.351 1.00 0.00 N ATOM 2121 CA LEU B 40 9.928 5.986 -6.027 1.00 0.00 C ATOM 2122 C LEU B 40 11.029 7.054 -6.046 1.00 0.00 C ATOM 2123 O LEU B 40 11.344 7.613 -7.077 1.00 0.00 O ATOM 2124 CB LEU B 40 9.284 5.915 -4.641 1.00 0.00 C ATOM 2125 CG LEU B 40 8.153 4.883 -4.657 1.00 0.00 C ATOM 2126 CD1 LEU B 40 7.328 5.006 -3.375 1.00 0.00 C ATOM 2127 CD2 LEU B 40 7.251 5.134 -5.867 1.00 0.00 C ATOM 0 H LEU B 40 10.502 3.982 -5.588 1.00 0.00 H new ATOM 0 HA LEU B 40 9.172 6.252 -6.766 1.00 0.00 H new ATOM 0 HB2 LEU B 40 10.030 5.641 -3.895 1.00 0.00 H new ATOM 0 HB3 LEU B 40 8.895 6.893 -4.358 1.00 0.00 H new ATOM 0 HG LEU B 40 8.579 3.881 -4.720 1.00 0.00 H new ATOM 0 HD11 LEU B 40 6.523 4.271 -3.388 1.00 0.00 H new ATOM 0 HD12 LEU B 40 7.969 4.827 -2.511 1.00 0.00 H new ATOM 0 HD13 LEU B 40 6.903 6.008 -3.310 1.00 0.00 H new ATOM 0 HD21 LEU B 40 6.446 4.400 -5.879 1.00 0.00 H new ATOM 0 HD22 LEU B 40 6.827 6.136 -5.803 1.00 0.00 H new ATOM 0 HD23 LEU B 40 7.837 5.045 -6.782 1.00 0.00 H new ATOM 2139 N SER B 41 11.620 7.340 -4.917 1.00 0.00 N ATOM 2140 CA SER B 41 12.702 8.367 -4.878 1.00 0.00 C ATOM 2141 C SER B 41 12.286 9.591 -5.698 1.00 0.00 C ATOM 2142 O SER B 41 13.086 10.184 -6.395 1.00 0.00 O ATOM 2143 CB SER B 41 13.986 7.779 -5.460 1.00 0.00 C ATOM 2144 OG SER B 41 14.985 8.789 -5.508 1.00 0.00 O ATOM 0 H SER B 41 11.401 6.907 -4.020 1.00 0.00 H new ATOM 0 HA SER B 41 12.873 8.667 -3.844 1.00 0.00 H new ATOM 0 HB2 SER B 41 14.327 6.943 -4.849 1.00 0.00 H new ATOM 0 HB3 SER B 41 13.800 7.388 -6.460 1.00 0.00 H new ATOM 0 HG SER B 41 14.706 9.496 -6.127 1.00 0.00 H new ATOM 2150 N HIS B 42 11.044 9.980 -5.617 1.00 0.00 N ATOM 2151 CA HIS B 42 10.586 11.171 -6.390 1.00 0.00 C ATOM 2152 C HIS B 42 9.699 12.041 -5.500 1.00 0.00 C ATOM 2153 O HIS B 42 8.978 12.897 -5.972 1.00 0.00 O ATOM 2154 CB HIS B 42 9.790 10.713 -7.612 1.00 0.00 C ATOM 2155 CG HIS B 42 10.419 11.273 -8.858 1.00 0.00 C ATOM 2156 ND1 HIS B 42 9.833 12.294 -9.589 1.00 0.00 N ATOM 2157 CD2 HIS B 42 11.583 10.963 -9.514 1.00 0.00 C ATOM 2158 CE1 HIS B 42 10.640 12.561 -10.633 1.00 0.00 C ATOM 2159 NE2 HIS B 42 11.720 11.777 -10.635 1.00 0.00 N ATOM 0 H HIS B 42 10.327 9.527 -5.051 1.00 0.00 H new ATOM 0 HA HIS B 42 11.451 11.747 -6.718 1.00 0.00 H new ATOM 0 HB2 HIS B 42 9.770 9.624 -7.659 1.00 0.00 H new ATOM 0 HB3 HIS B 42 8.756 11.047 -7.532 1.00 0.00 H new ATOM 0 HD2 HIS B 42 12.286 10.203 -9.207 1.00 0.00 H new ATOM 0 HE1 HIS B 42 10.438 13.317 -11.378 1.00 0.00 H new ATOM 0 HE2 HIS B 42 12.482 11.775 -11.313 1.00 0.00 H new ATOM 2167 N PHE B 43 9.747 11.827 -4.214 1.00 0.00 N ATOM 2168 CA PHE B 43 8.909 12.640 -3.290 1.00 0.00 C ATOM 2169 C PHE B 43 9.728 13.011 -2.054 1.00 0.00 C ATOM 2170 O PHE B 43 9.232 13.004 -0.946 1.00 0.00 O ATOM 2171 CB PHE B 43 7.686 11.825 -2.862 1.00 0.00 C ATOM 2172 CG PHE B 43 6.738 11.684 -4.026 1.00 0.00 C ATOM 2173 CD1 PHE B 43 6.206 12.824 -4.639 1.00 0.00 C ATOM 2174 CD2 PHE B 43 6.387 10.410 -4.494 1.00 0.00 C ATOM 2175 CE1 PHE B 43 5.325 12.694 -5.719 1.00 0.00 C ATOM 2176 CE2 PHE B 43 5.506 10.280 -5.574 1.00 0.00 C ATOM 2177 CZ PHE B 43 4.975 11.421 -6.186 1.00 0.00 C ATOM 0 H PHE B 43 10.331 11.123 -3.763 1.00 0.00 H new ATOM 0 HA PHE B 43 8.583 13.548 -3.798 1.00 0.00 H new ATOM 0 HB2 PHE B 43 7.997 10.841 -2.512 1.00 0.00 H new ATOM 0 HB3 PHE B 43 7.183 12.315 -2.028 1.00 0.00 H new ATOM 0 HD1 PHE B 43 6.476 13.806 -4.278 1.00 0.00 H new ATOM 0 HD2 PHE B 43 6.796 9.529 -4.022 1.00 0.00 H new ATOM 0 HE1 PHE B 43 4.916 13.575 -6.192 1.00 0.00 H new ATOM 0 HE2 PHE B 43 5.236 9.299 -5.935 1.00 0.00 H new ATOM 0 HZ PHE B 43 4.295 11.320 -7.019 1.00 0.00 H new ATOM 2187 N LEU B 44 10.981 13.330 -2.232 1.00 0.00 N ATOM 2188 CA LEU B 44 11.828 13.694 -1.063 1.00 0.00 C ATOM 2189 C LEU B 44 12.011 15.213 -1.013 1.00 0.00 C ATOM 2190 O LEU B 44 13.116 15.716 -1.078 1.00 0.00 O ATOM 2191 CB LEU B 44 13.196 13.021 -1.196 1.00 0.00 C ATOM 2192 CG LEU B 44 13.168 11.663 -0.491 1.00 0.00 C ATOM 2193 CD1 LEU B 44 13.459 10.555 -1.503 1.00 0.00 C ATOM 2194 CD2 LEU B 44 14.232 11.640 0.608 1.00 0.00 C ATOM 0 H LEU B 44 11.454 13.354 -3.136 1.00 0.00 H new ATOM 0 HA LEU B 44 11.343 13.358 -0.147 1.00 0.00 H new ATOM 0 HB2 LEU B 44 13.448 12.891 -2.248 1.00 0.00 H new ATOM 0 HB3 LEU B 44 13.968 13.654 -0.759 1.00 0.00 H new ATOM 0 HG LEU B 44 12.184 11.502 -0.051 1.00 0.00 H new ATOM 0 HD11 LEU B 44 13.439 9.588 -1.000 1.00 0.00 H new ATOM 0 HD12 LEU B 44 12.703 10.571 -2.288 1.00 0.00 H new ATOM 0 HD13 LEU B 44 14.443 10.714 -1.944 1.00 0.00 H new ATOM 0 HD21 LEU B 44 14.214 10.674 1.112 1.00 0.00 H new ATOM 0 HD22 LEU B 44 15.215 11.800 0.166 1.00 0.00 H new ATOM 0 HD23 LEU B 44 14.026 12.430 1.331 1.00 0.00 H new ATOM 2206 N GLU B 45 10.940 15.949 -0.895 1.00 0.00 N ATOM 2207 CA GLU B 45 11.061 17.433 -0.838 1.00 0.00 C ATOM 2208 C GLU B 45 11.285 17.869 0.610 1.00 0.00 C ATOM 2209 O GLU B 45 12.367 18.269 0.988 1.00 0.00 O ATOM 2210 CB GLU B 45 9.782 18.074 -1.380 1.00 0.00 C ATOM 2211 CG GLU B 45 9.287 17.282 -2.591 1.00 0.00 C ATOM 2212 CD GLU B 45 7.995 17.909 -3.119 1.00 0.00 C ATOM 2213 OE1 GLU B 45 7.155 18.260 -2.307 1.00 0.00 O ATOM 2214 OE2 GLU B 45 7.868 18.028 -4.326 1.00 0.00 O ATOM 0 H GLU B 45 9.988 15.588 -0.836 1.00 0.00 H new ATOM 0 HA GLU B 45 11.907 17.753 -1.447 1.00 0.00 H new ATOM 0 HB2 GLU B 45 9.015 18.091 -0.606 1.00 0.00 H new ATOM 0 HB3 GLU B 45 9.973 19.109 -1.663 1.00 0.00 H new ATOM 0 HG2 GLU B 45 10.047 17.279 -3.372 1.00 0.00 H new ATOM 0 HG3 GLU B 45 9.112 16.243 -2.312 1.00 0.00 H new ATOM 2221 N GLU B 46 10.269 17.794 1.422 1.00 0.00 N ATOM 2222 CA GLU B 46 10.419 18.202 2.844 1.00 0.00 C ATOM 2223 C GLU B 46 9.943 17.052 3.746 1.00 0.00 C ATOM 2224 O GLU B 46 10.455 16.849 4.829 1.00 0.00 O ATOM 2225 CB GLU B 46 9.592 19.482 3.080 1.00 0.00 C ATOM 2226 CG GLU B 46 8.724 19.362 4.340 1.00 0.00 C ATOM 2227 CD GLU B 46 9.621 19.348 5.578 1.00 0.00 C ATOM 2228 OE1 GLU B 46 10.810 19.570 5.427 1.00 0.00 O ATOM 2229 OE2 GLU B 46 9.103 19.113 6.657 1.00 0.00 O ATOM 0 H GLU B 46 9.339 17.467 1.161 1.00 0.00 H new ATOM 0 HA GLU B 46 11.461 18.414 3.082 1.00 0.00 H new ATOM 0 HB2 GLU B 46 10.261 20.337 3.177 1.00 0.00 H new ATOM 0 HB3 GLU B 46 8.956 19.671 2.215 1.00 0.00 H new ATOM 0 HG2 GLU B 46 8.025 20.197 4.394 1.00 0.00 H new ATOM 0 HG3 GLU B 46 8.129 18.450 4.299 1.00 0.00 H new ATOM 2236 N ILE B 47 8.965 16.307 3.308 1.00 0.00 N ATOM 2237 CA ILE B 47 8.454 15.177 4.137 1.00 0.00 C ATOM 2238 C ILE B 47 7.821 15.728 5.415 1.00 0.00 C ATOM 2239 O ILE B 47 8.440 16.458 6.162 1.00 0.00 O ATOM 2240 CB ILE B 47 9.608 14.241 4.499 1.00 0.00 C ATOM 2241 CG1 ILE B 47 10.267 13.732 3.216 1.00 0.00 C ATOM 2242 CG2 ILE B 47 9.072 13.053 5.301 1.00 0.00 C ATOM 2243 CD1 ILE B 47 11.228 12.589 3.553 1.00 0.00 C ATOM 0 H ILE B 47 8.497 16.432 2.411 1.00 0.00 H new ATOM 0 HA ILE B 47 7.706 14.623 3.571 1.00 0.00 H new ATOM 0 HB ILE B 47 10.341 14.781 5.098 1.00 0.00 H new ATOM 0 HG12 ILE B 47 9.506 13.387 2.516 1.00 0.00 H new ATOM 0 HG13 ILE B 47 10.807 14.542 2.726 1.00 0.00 H new ATOM 0 HG21 ILE B 47 9.895 12.387 5.558 1.00 0.00 H new ATOM 0 HG22 ILE B 47 8.599 13.414 6.214 1.00 0.00 H new ATOM 0 HG23 ILE B 47 8.340 12.511 4.703 1.00 0.00 H new ATOM 0 HD11 ILE B 47 11.697 12.227 2.638 1.00 0.00 H new ATOM 0 HD12 ILE B 47 11.996 12.949 4.237 1.00 0.00 H new ATOM 0 HD13 ILE B 47 10.675 11.776 4.024 1.00 0.00 H new ATOM 2255 N LYS B 48 6.590 15.381 5.673 1.00 0.00 N ATOM 2256 CA LYS B 48 5.916 15.883 6.901 1.00 0.00 C ATOM 2257 C LYS B 48 5.963 14.802 7.982 1.00 0.00 C ATOM 2258 O LYS B 48 5.960 15.089 9.161 1.00 0.00 O ATOM 2259 CB LYS B 48 4.458 16.220 6.582 1.00 0.00 C ATOM 2260 CG LYS B 48 4.090 17.557 7.227 1.00 0.00 C ATOM 2261 CD LYS B 48 3.002 17.334 8.279 1.00 0.00 C ATOM 2262 CE LYS B 48 2.515 18.685 8.804 1.00 0.00 C ATOM 2263 NZ LYS B 48 3.130 18.954 10.134 1.00 0.00 N ATOM 0 H LYS B 48 6.022 14.771 5.085 1.00 0.00 H new ATOM 0 HA LYS B 48 6.426 16.778 7.256 1.00 0.00 H new ATOM 0 HB2 LYS B 48 4.314 16.273 5.503 1.00 0.00 H new ATOM 0 HB3 LYS B 48 3.802 15.432 6.953 1.00 0.00 H new ATOM 0 HG2 LYS B 48 4.970 18.005 7.688 1.00 0.00 H new ATOM 0 HG3 LYS B 48 3.738 18.255 6.467 1.00 0.00 H new ATOM 0 HD2 LYS B 48 2.170 16.779 7.845 1.00 0.00 H new ATOM 0 HD3 LYS B 48 3.393 16.732 9.100 1.00 0.00 H new ATOM 0 HE2 LYS B 48 2.780 19.476 8.103 1.00 0.00 H new ATOM 0 HE3 LYS B 48 1.428 18.684 8.888 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 2.798 19.873 10.490 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 2.856 18.205 10.801 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 4.166 18.972 10.040 1.00 0.00 H new ATOM 2277 N GLU B 49 6.009 13.559 7.587 1.00 0.00 N ATOM 2278 CA GLU B 49 6.060 12.460 8.592 1.00 0.00 C ATOM 2279 C GLU B 49 7.505 11.989 8.756 1.00 0.00 C ATOM 2280 O GLU B 49 7.856 10.890 8.377 1.00 0.00 O ATOM 2281 CB GLU B 49 5.196 11.291 8.116 1.00 0.00 C ATOM 2282 CG GLU B 49 3.793 11.414 8.713 1.00 0.00 C ATOM 2283 CD GLU B 49 3.836 11.048 10.196 1.00 0.00 C ATOM 2284 OE1 GLU B 49 4.919 10.775 10.688 1.00 0.00 O ATOM 2285 OE2 GLU B 49 2.786 11.046 10.817 1.00 0.00 O ATOM 0 H GLU B 49 6.013 13.257 6.613 1.00 0.00 H new ATOM 0 HA GLU B 49 5.683 12.824 9.548 1.00 0.00 H new ATOM 0 HB2 GLU B 49 5.140 11.287 7.027 1.00 0.00 H new ATOM 0 HB3 GLU B 49 5.648 10.346 8.416 1.00 0.00 H new ATOM 0 HG2 GLU B 49 3.422 12.431 8.589 1.00 0.00 H new ATOM 0 HG3 GLU B 49 3.103 10.756 8.185 1.00 0.00 H new ATOM 2292 N GLN B 50 8.345 12.810 9.320 1.00 0.00 N ATOM 2293 CA GLN B 50 9.765 12.405 9.508 1.00 0.00 C ATOM 2294 C GLN B 50 9.820 11.108 10.316 1.00 0.00 C ATOM 2295 O GLN B 50 10.778 10.367 10.248 1.00 0.00 O ATOM 2296 CB GLN B 50 10.516 13.508 10.258 1.00 0.00 C ATOM 2297 CG GLN B 50 11.965 13.075 10.490 1.00 0.00 C ATOM 2298 CD GLN B 50 12.657 14.085 11.407 1.00 0.00 C ATOM 2299 OE1 GLN B 50 13.358 13.708 12.324 1.00 0.00 O ATOM 2300 NE2 GLN B 50 12.489 15.362 11.195 1.00 0.00 N ATOM 0 H GLN B 50 8.110 13.743 9.659 1.00 0.00 H new ATOM 0 HA GLN B 50 10.231 12.248 8.535 1.00 0.00 H new ATOM 0 HB2 GLN B 50 10.490 14.435 9.684 1.00 0.00 H new ATOM 0 HB3 GLN B 50 10.029 13.710 11.212 1.00 0.00 H new ATOM 0 HG2 GLN B 50 11.992 12.082 10.939 1.00 0.00 H new ATOM 0 HG3 GLN B 50 12.493 13.009 9.539 1.00 0.00 H new ATOM 0 HE21 GLN B 50 11.900 15.678 10.424 1.00 0.00 H new ATOM 0 HE22 GLN B 50 12.947 16.044 11.800 1.00 0.00 H new ATOM 2309 N GLU B 51 8.803 10.829 11.084 1.00 0.00 N ATOM 2310 CA GLU B 51 8.802 9.580 11.899 1.00 0.00 C ATOM 2311 C GLU B 51 8.407 8.388 11.024 1.00 0.00 C ATOM 2312 O GLU B 51 8.856 7.280 11.233 1.00 0.00 O ATOM 2313 CB GLU B 51 7.802 9.721 13.046 1.00 0.00 C ATOM 2314 CG GLU B 51 8.533 9.570 14.381 1.00 0.00 C ATOM 2315 CD GLU B 51 7.521 9.628 15.526 1.00 0.00 C ATOM 2316 OE1 GLU B 51 6.935 8.599 15.824 1.00 0.00 O ATOM 2317 OE2 GLU B 51 7.350 10.697 16.086 1.00 0.00 O ATOM 0 H GLU B 51 7.972 11.412 11.183 1.00 0.00 H new ATOM 0 HA GLU B 51 9.801 9.415 12.302 1.00 0.00 H new ATOM 0 HB2 GLU B 51 7.310 10.692 12.996 1.00 0.00 H new ATOM 0 HB3 GLU B 51 7.023 8.964 12.958 1.00 0.00 H new ATOM 0 HG2 GLU B 51 9.073 8.624 14.407 1.00 0.00 H new ATOM 0 HG3 GLU B 51 9.272 10.363 14.495 1.00 0.00 H new ATOM 2324 N VAL B 52 7.568 8.603 10.048 1.00 0.00 N ATOM 2325 CA VAL B 52 7.146 7.476 9.171 1.00 0.00 C ATOM 2326 C VAL B 52 8.315 7.060 8.278 1.00 0.00 C ATOM 2327 O VAL B 52 8.628 5.892 8.158 1.00 0.00 O ATOM 2328 CB VAL B 52 5.969 7.922 8.302 1.00 0.00 C ATOM 2329 CG1 VAL B 52 5.530 6.771 7.397 1.00 0.00 C ATOM 2330 CG2 VAL B 52 4.802 8.328 9.200 1.00 0.00 C ATOM 0 H VAL B 52 7.158 9.509 9.821 1.00 0.00 H new ATOM 0 HA VAL B 52 6.842 6.629 9.786 1.00 0.00 H new ATOM 0 HB VAL B 52 6.275 8.769 7.688 1.00 0.00 H new ATOM 0 HG11 VAL B 52 4.691 7.093 6.780 1.00 0.00 H new ATOM 0 HG12 VAL B 52 6.360 6.475 6.756 1.00 0.00 H new ATOM 0 HG13 VAL B 52 5.225 5.923 8.010 1.00 0.00 H new ATOM 0 HG21 VAL B 52 3.962 8.646 8.583 1.00 0.00 H new ATOM 0 HG22 VAL B 52 4.501 7.478 9.812 1.00 0.00 H new ATOM 0 HG23 VAL B 52 5.109 9.150 9.847 1.00 0.00 H new ATOM 2340 N VAL B 53 8.965 8.002 7.654 1.00 0.00 N ATOM 2341 CA VAL B 53 10.115 7.651 6.776 1.00 0.00 C ATOM 2342 C VAL B 53 11.328 7.326 7.644 1.00 0.00 C ATOM 2343 O VAL B 53 12.153 6.510 7.292 1.00 0.00 O ATOM 2344 CB VAL B 53 10.439 8.829 5.856 1.00 0.00 C ATOM 2345 CG1 VAL B 53 11.746 8.552 5.113 1.00 0.00 C ATOM 2346 CG2 VAL B 53 9.307 9.010 4.844 1.00 0.00 C ATOM 0 H VAL B 53 8.750 8.997 7.714 1.00 0.00 H new ATOM 0 HA VAL B 53 9.859 6.784 6.167 1.00 0.00 H new ATOM 0 HB VAL B 53 10.545 9.736 6.451 1.00 0.00 H new ATOM 0 HG11 VAL B 53 11.977 9.392 4.457 1.00 0.00 H new ATOM 0 HG12 VAL B 53 12.553 8.422 5.833 1.00 0.00 H new ATOM 0 HG13 VAL B 53 11.641 7.645 4.518 1.00 0.00 H new ATOM 0 HG21 VAL B 53 9.537 9.849 4.188 1.00 0.00 H new ATOM 0 HG22 VAL B 53 9.202 8.102 4.249 1.00 0.00 H new ATOM 0 HG23 VAL B 53 8.374 9.207 5.373 1.00 0.00 H new ATOM 2356 N ASP B 54 11.435 7.951 8.782 1.00 0.00 N ATOM 2357 CA ASP B 54 12.586 7.665 9.679 1.00 0.00 C ATOM 2358 C ASP B 54 12.305 6.369 10.435 1.00 0.00 C ATOM 2359 O ASP B 54 13.195 5.747 10.977 1.00 0.00 O ATOM 2360 CB ASP B 54 12.763 8.812 10.675 1.00 0.00 C ATOM 2361 CG ASP B 54 13.970 8.532 11.570 1.00 0.00 C ATOM 2362 OD1 ASP B 54 15.018 8.213 11.036 1.00 0.00 O ATOM 2363 OD2 ASP B 54 13.826 8.643 12.776 1.00 0.00 O ATOM 0 H ASP B 54 10.775 8.647 9.129 1.00 0.00 H new ATOM 0 HA ASP B 54 13.498 7.564 9.091 1.00 0.00 H new ATOM 0 HB2 ASP B 54 12.903 9.752 10.141 1.00 0.00 H new ATOM 0 HB3 ASP B 54 11.865 8.921 11.282 1.00 0.00 H new ATOM 2368 N LYS B 55 11.065 5.952 10.468 1.00 0.00 N ATOM 2369 CA LYS B 55 10.723 4.691 11.181 1.00 0.00 C ATOM 2370 C LYS B 55 11.060 3.502 10.283 1.00 0.00 C ATOM 2371 O LYS B 55 11.716 2.567 10.696 1.00 0.00 O ATOM 2372 CB LYS B 55 9.230 4.679 11.513 1.00 0.00 C ATOM 2373 CG LYS B 55 8.830 3.289 12.011 1.00 0.00 C ATOM 2374 CD LYS B 55 7.757 2.706 11.090 1.00 0.00 C ATOM 2375 CE LYS B 55 7.058 1.541 11.793 1.00 0.00 C ATOM 2376 NZ LYS B 55 6.086 2.073 12.789 1.00 0.00 N ATOM 0 H LYS B 55 10.278 6.432 10.032 1.00 0.00 H new ATOM 0 HA LYS B 55 11.295 4.625 12.106 1.00 0.00 H new ATOM 0 HB2 LYS B 55 9.010 5.427 12.274 1.00 0.00 H new ATOM 0 HB3 LYS B 55 8.648 4.942 10.630 1.00 0.00 H new ATOM 0 HG2 LYS B 55 9.701 2.634 12.032 1.00 0.00 H new ATOM 0 HG3 LYS B 55 8.453 3.351 13.032 1.00 0.00 H new ATOM 0 HD2 LYS B 55 7.030 3.475 10.828 1.00 0.00 H new ATOM 0 HD3 LYS B 55 8.209 2.364 10.159 1.00 0.00 H new ATOM 0 HE2 LYS B 55 6.542 0.918 11.062 1.00 0.00 H new ATOM 0 HE3 LYS B 55 7.793 0.908 12.289 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 5.417 1.323 13.056 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 6.598 2.397 13.634 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 5.564 2.871 12.373 1.00 0.00 H new ATOM 2390 N VAL B 56 10.625 3.533 9.051 1.00 0.00 N ATOM 2391 CA VAL B 56 10.937 2.407 8.131 1.00 0.00 C ATOM 2392 C VAL B 56 12.401 2.508 7.717 1.00 0.00 C ATOM 2393 O VAL B 56 13.083 1.518 7.545 1.00 0.00 O ATOM 2394 CB VAL B 56 10.046 2.492 6.890 1.00 0.00 C ATOM 2395 CG1 VAL B 56 8.660 1.930 7.209 1.00 0.00 C ATOM 2396 CG2 VAL B 56 9.909 3.952 6.447 1.00 0.00 C ATOM 0 H VAL B 56 10.070 4.287 8.646 1.00 0.00 H new ATOM 0 HA VAL B 56 10.755 1.457 8.633 1.00 0.00 H new ATOM 0 HB VAL B 56 10.500 1.910 6.088 1.00 0.00 H new ATOM 0 HG11 VAL B 56 8.029 1.993 6.322 1.00 0.00 H new ATOM 0 HG12 VAL B 56 8.752 0.888 7.516 1.00 0.00 H new ATOM 0 HG13 VAL B 56 8.210 2.508 8.016 1.00 0.00 H new ATOM 0 HG21 VAL B 56 9.274 4.006 5.563 1.00 0.00 H new ATOM 0 HG22 VAL B 56 9.462 4.536 7.252 1.00 0.00 H new ATOM 0 HG23 VAL B 56 10.894 4.355 6.211 1.00 0.00 H new ATOM 2406 N MET B 57 12.887 3.705 7.569 1.00 0.00 N ATOM 2407 CA MET B 57 14.309 3.900 7.183 1.00 0.00 C ATOM 2408 C MET B 57 15.191 3.542 8.374 1.00 0.00 C ATOM 2409 O MET B 57 16.353 3.228 8.229 1.00 0.00 O ATOM 2410 CB MET B 57 14.527 5.366 6.813 1.00 0.00 C ATOM 2411 CG MET B 57 15.905 5.541 6.176 1.00 0.00 C ATOM 2412 SD MET B 57 15.722 6.250 4.520 1.00 0.00 S ATOM 2413 CE MET B 57 14.430 5.128 3.931 1.00 0.00 C ATOM 0 H MET B 57 12.355 4.565 7.700 1.00 0.00 H new ATOM 0 HA MET B 57 14.560 3.267 6.332 1.00 0.00 H new ATOM 0 HB2 MET B 57 13.752 5.695 6.121 1.00 0.00 H new ATOM 0 HB3 MET B 57 14.446 5.991 7.702 1.00 0.00 H new ATOM 0 HG2 MET B 57 16.523 6.191 6.795 1.00 0.00 H new ATOM 0 HG3 MET B 57 16.414 4.579 6.117 1.00 0.00 H new ATOM 0 HE1 MET B 57 14.476 5.059 2.844 1.00 0.00 H new ATOM 0 HE2 MET B 57 14.581 4.139 4.364 1.00 0.00 H new ATOM 0 HE3 MET B 57 13.453 5.509 4.229 1.00 0.00 H new ATOM 2423 N GLU B 58 14.642 3.590 9.555 1.00 0.00 N ATOM 2424 CA GLU B 58 15.444 3.248 10.763 1.00 0.00 C ATOM 2425 C GLU B 58 15.621 1.733 10.835 1.00 0.00 C ATOM 2426 O GLU B 58 16.728 1.237 10.894 1.00 0.00 O ATOM 2427 CB GLU B 58 14.721 3.735 12.019 1.00 0.00 C ATOM 2428 CG GLU B 58 15.333 5.057 12.484 1.00 0.00 C ATOM 2429 CD GLU B 58 14.425 5.696 13.536 1.00 0.00 C ATOM 2430 OE1 GLU B 58 13.415 5.093 13.861 1.00 0.00 O ATOM 2431 OE2 GLU B 58 14.753 6.776 13.997 1.00 0.00 O ATOM 0 H GLU B 58 13.673 3.851 9.737 1.00 0.00 H new ATOM 0 HA GLU B 58 16.419 3.731 10.700 1.00 0.00 H new ATOM 0 HB2 GLU B 58 13.659 3.868 11.811 1.00 0.00 H new ATOM 0 HB3 GLU B 58 14.800 2.988 12.809 1.00 0.00 H new ATOM 0 HG2 GLU B 58 16.325 4.884 12.901 1.00 0.00 H new ATOM 0 HG3 GLU B 58 15.456 5.731 11.636 1.00 0.00 H new ATOM 2438 N THR B 59 14.548 0.986 10.816 1.00 0.00 N ATOM 2439 CA THR B 59 14.691 -0.495 10.866 1.00 0.00 C ATOM 2440 C THR B 59 15.490 -0.924 9.642 1.00 0.00 C ATOM 2441 O THR B 59 16.318 -1.813 9.695 1.00 0.00 O ATOM 2442 CB THR B 59 13.309 -1.154 10.839 1.00 0.00 C ATOM 2443 OG1 THR B 59 12.415 -0.406 11.650 1.00 0.00 O ATOM 2444 CG2 THR B 59 13.412 -2.584 11.373 1.00 0.00 C ATOM 0 H THR B 59 13.590 1.334 10.769 1.00 0.00 H new ATOM 0 HA THR B 59 15.199 -0.798 11.782 1.00 0.00 H new ATOM 0 HB THR B 59 12.937 -1.178 9.815 1.00 0.00 H new ATOM 0 HG1 THR B 59 11.529 -0.825 11.633 1.00 0.00 H new ATOM 0 HG21 THR B 59 12.428 -3.052 11.353 1.00 0.00 H new ATOM 0 HG22 THR B 59 14.098 -3.157 10.749 1.00 0.00 H new ATOM 0 HG23 THR B 59 13.783 -2.564 12.398 1.00 0.00 H new ATOM 2452 N LEU B 60 15.251 -0.270 8.541 1.00 0.00 N ATOM 2453 CA LEU B 60 15.989 -0.590 7.293 1.00 0.00 C ATOM 2454 C LEU B 60 17.490 -0.478 7.564 1.00 0.00 C ATOM 2455 O LEU B 60 18.241 -1.416 7.375 1.00 0.00 O ATOM 2456 CB LEU B 60 15.584 0.421 6.217 1.00 0.00 C ATOM 2457 CG LEU B 60 14.339 -0.079 5.485 1.00 0.00 C ATOM 2458 CD1 LEU B 60 13.832 1.007 4.535 1.00 0.00 C ATOM 2459 CD2 LEU B 60 14.689 -1.334 4.683 1.00 0.00 C ATOM 0 H LEU B 60 14.567 0.482 8.454 1.00 0.00 H new ATOM 0 HA LEU B 60 15.755 -1.600 6.958 1.00 0.00 H new ATOM 0 HB2 LEU B 60 15.385 1.391 6.672 1.00 0.00 H new ATOM 0 HB3 LEU B 60 16.402 0.562 5.510 1.00 0.00 H new ATOM 0 HG LEU B 60 13.562 -0.316 6.212 1.00 0.00 H new ATOM 0 HD11 LEU B 60 12.944 0.649 4.014 1.00 0.00 H new ATOM 0 HD12 LEU B 60 13.582 1.902 5.105 1.00 0.00 H new ATOM 0 HD13 LEU B 60 14.608 1.246 3.808 1.00 0.00 H new ATOM 0 HD21 LEU B 60 13.802 -1.691 4.161 1.00 0.00 H new ATOM 0 HD22 LEU B 60 15.467 -1.097 3.957 1.00 0.00 H new ATOM 0 HD23 LEU B 60 15.049 -2.109 5.359 1.00 0.00 H new ATOM 2471 N ASP B 61 17.925 0.667 8.014 1.00 0.00 N ATOM 2472 CA ASP B 61 19.371 0.864 8.310 1.00 0.00 C ATOM 2473 C ASP B 61 19.702 0.262 9.677 1.00 0.00 C ATOM 2474 O ASP B 61 20.833 0.293 10.121 1.00 0.00 O ATOM 2475 CB ASP B 61 19.679 2.363 8.330 1.00 0.00 C ATOM 2476 CG ASP B 61 21.166 2.585 8.045 1.00 0.00 C ATOM 2477 OD1 ASP B 61 21.832 1.622 7.703 1.00 0.00 O ATOM 2478 OD2 ASP B 61 21.613 3.713 8.177 1.00 0.00 O ATOM 0 H ASP B 61 17.335 1.480 8.190 1.00 0.00 H new ATOM 0 HA ASP B 61 19.970 0.373 7.544 1.00 0.00 H new ATOM 0 HB2 ASP B 61 19.074 2.879 7.584 1.00 0.00 H new ATOM 0 HB3 ASP B 61 19.417 2.785 9.300 1.00 0.00 H new ATOM 2483 N GLU B 62 18.725 -0.279 10.354 1.00 0.00 N ATOM 2484 CA GLU B 62 18.988 -0.872 11.694 1.00 0.00 C ATOM 2485 C GLU B 62 19.794 -2.160 11.534 1.00 0.00 C ATOM 2486 O GLU B 62 20.592 -2.513 12.379 1.00 0.00 O ATOM 2487 CB GLU B 62 17.660 -1.185 12.384 1.00 0.00 C ATOM 2488 CG GLU B 62 17.929 -1.758 13.776 1.00 0.00 C ATOM 2489 CD GLU B 62 17.304 -3.151 13.886 1.00 0.00 C ATOM 2490 OE1 GLU B 62 16.147 -3.231 14.263 1.00 0.00 O ATOM 2491 OE2 GLU B 62 17.993 -4.113 13.592 1.00 0.00 O ATOM 0 H GLU B 62 17.757 -0.335 10.036 1.00 0.00 H new ATOM 0 HA GLU B 62 19.553 -0.163 12.298 1.00 0.00 H new ATOM 0 HB2 GLU B 62 17.057 -0.280 12.462 1.00 0.00 H new ATOM 0 HB3 GLU B 62 17.089 -1.898 11.790 1.00 0.00 H new ATOM 0 HG2 GLU B 62 19.003 -1.815 13.956 1.00 0.00 H new ATOM 0 HG3 GLU B 62 17.512 -1.100 14.538 1.00 0.00 H new ATOM 2498 N ASP B 63 19.595 -2.865 10.456 1.00 0.00 N ATOM 2499 CA ASP B 63 20.352 -4.130 10.247 1.00 0.00 C ATOM 2500 C ASP B 63 20.921 -4.157 8.831 1.00 0.00 C ATOM 2501 O ASP B 63 22.116 -4.236 8.631 1.00 0.00 O ATOM 2502 CB ASP B 63 19.416 -5.324 10.447 1.00 0.00 C ATOM 2503 CG ASP B 63 19.996 -6.256 11.512 1.00 0.00 C ATOM 2504 OD1 ASP B 63 19.916 -5.912 12.679 1.00 0.00 O ATOM 2505 OD2 ASP B 63 20.510 -7.299 11.143 1.00 0.00 O ATOM 0 H ASP B 63 18.942 -2.620 9.712 1.00 0.00 H new ATOM 0 HA ASP B 63 21.170 -4.187 10.966 1.00 0.00 H new ATOM 0 HB2 ASP B 63 18.428 -4.978 10.751 1.00 0.00 H new ATOM 0 HB3 ASP B 63 19.290 -5.862 9.507 1.00 0.00 H new ATOM 2510 N GLY B 64 20.073 -4.094 7.845 1.00 0.00 N ATOM 2511 CA GLY B 64 20.560 -4.118 6.438 1.00 0.00 C ATOM 2512 C GLY B 64 20.921 -5.551 6.036 1.00 0.00 C ATOM 2513 O GLY B 64 21.252 -5.820 4.899 1.00 0.00 O ATOM 0 H GLY B 64 19.061 -4.027 7.952 1.00 0.00 H new ATOM 0 HA2 GLY B 64 19.792 -3.727 5.771 1.00 0.00 H new ATOM 0 HA3 GLY B 64 21.431 -3.471 6.334 1.00 0.00 H new ATOM 2517 N ASP B 65 20.866 -6.474 6.959 1.00 0.00 N ATOM 2518 CA ASP B 65 21.210 -7.884 6.627 1.00 0.00 C ATOM 2519 C ASP B 65 20.134 -8.818 7.182 1.00 0.00 C ATOM 2520 O ASP B 65 20.421 -9.899 7.658 1.00 0.00 O ATOM 2521 CB ASP B 65 22.559 -8.231 7.252 1.00 0.00 C ATOM 2522 CG ASP B 65 23.181 -9.413 6.509 1.00 0.00 C ATOM 2523 OD1 ASP B 65 23.215 -9.370 5.290 1.00 0.00 O ATOM 2524 OD2 ASP B 65 23.613 -10.343 7.170 1.00 0.00 O ATOM 0 H ASP B 65 20.597 -6.310 7.929 1.00 0.00 H new ATOM 0 HA ASP B 65 21.266 -8.002 5.545 1.00 0.00 H new ATOM 0 HB2 ASP B 65 23.225 -7.369 7.206 1.00 0.00 H new ATOM 0 HB3 ASP B 65 22.430 -8.478 8.306 1.00 0.00 H new ATOM 2529 N GLY B 66 18.896 -8.412 7.126 1.00 0.00 N ATOM 2530 CA GLY B 66 17.804 -9.276 7.650 1.00 0.00 C ATOM 2531 C GLY B 66 16.812 -9.583 6.530 1.00 0.00 C ATOM 2532 O GLY B 66 17.031 -9.248 5.384 1.00 0.00 O ATOM 0 H GLY B 66 18.594 -7.518 6.739 1.00 0.00 H new ATOM 0 HA2 GLY B 66 18.218 -10.203 8.047 1.00 0.00 H new ATOM 0 HA3 GLY B 66 17.295 -8.776 8.474 1.00 0.00 H new ATOM 2536 N GLU B 67 15.720 -10.221 6.851 1.00 0.00 N ATOM 2537 CA GLU B 67 14.714 -10.551 5.803 1.00 0.00 C ATOM 2538 C GLU B 67 13.405 -9.821 6.104 1.00 0.00 C ATOM 2539 O GLU B 67 13.146 -9.429 7.225 1.00 0.00 O ATOM 2540 CB GLU B 67 14.464 -12.061 5.792 1.00 0.00 C ATOM 2541 CG GLU B 67 15.792 -12.799 5.958 1.00 0.00 C ATOM 2542 CD GLU B 67 15.525 -14.291 6.169 1.00 0.00 C ATOM 2543 OE1 GLU B 67 14.966 -14.904 5.276 1.00 0.00 O ATOM 2544 OE2 GLU B 67 15.884 -14.794 7.221 1.00 0.00 O ATOM 0 H GLU B 67 15.481 -10.528 7.794 1.00 0.00 H new ATOM 0 HA GLU B 67 15.089 -10.237 4.829 1.00 0.00 H new ATOM 0 HB2 GLU B 67 13.781 -12.333 6.597 1.00 0.00 H new ATOM 0 HB3 GLU B 67 13.987 -12.355 4.857 1.00 0.00 H new ATOM 0 HG2 GLU B 67 16.415 -12.652 5.076 1.00 0.00 H new ATOM 0 HG3 GLU B 67 16.342 -12.394 6.807 1.00 0.00 H new ATOM 2551 N CYS B 68 12.578 -9.637 5.114 1.00 0.00 N ATOM 2552 CA CYS B 68 11.284 -8.935 5.341 1.00 0.00 C ATOM 2553 C CYS B 68 10.146 -9.793 4.791 1.00 0.00 C ATOM 2554 O CYS B 68 10.365 -10.863 4.259 1.00 0.00 O ATOM 2555 CB CYS B 68 11.302 -7.586 4.620 1.00 0.00 C ATOM 2556 SG CYS B 68 12.340 -6.424 5.539 1.00 0.00 S ATOM 0 H CYS B 68 12.742 -9.943 4.155 1.00 0.00 H new ATOM 0 HA CYS B 68 11.137 -8.771 6.409 1.00 0.00 H new ATOM 0 HB2 CYS B 68 11.684 -7.708 3.607 1.00 0.00 H new ATOM 0 HB3 CYS B 68 10.288 -7.195 4.533 1.00 0.00 H new ATOM 0 HG CYS B 68 12.994 -7.063 6.463 1.00 0.00 H new ATOM 2562 N ASP B 69 8.931 -9.336 4.911 1.00 0.00 N ATOM 2563 CA ASP B 69 7.788 -10.135 4.389 1.00 0.00 C ATOM 2564 C ASP B 69 7.079 -9.344 3.289 1.00 0.00 C ATOM 2565 O ASP B 69 7.398 -8.201 3.029 1.00 0.00 O ATOM 2566 CB ASP B 69 6.803 -10.428 5.522 1.00 0.00 C ATOM 2567 CG ASP B 69 7.426 -11.431 6.495 1.00 0.00 C ATOM 2568 OD1 ASP B 69 7.640 -12.563 6.092 1.00 0.00 O ATOM 2569 OD2 ASP B 69 7.678 -11.052 7.626 1.00 0.00 O ATOM 0 H ASP B 69 8.681 -8.448 5.346 1.00 0.00 H new ATOM 0 HA ASP B 69 8.159 -11.076 3.983 1.00 0.00 H new ATOM 0 HB2 ASP B 69 6.551 -9.506 6.046 1.00 0.00 H new ATOM 0 HB3 ASP B 69 5.874 -10.828 5.116 1.00 0.00 H new ATOM 2574 N PHE B 70 6.119 -9.943 2.644 1.00 0.00 N ATOM 2575 CA PHE B 70 5.390 -9.224 1.563 1.00 0.00 C ATOM 2576 C PHE B 70 4.452 -8.196 2.190 1.00 0.00 C ATOM 2577 O PHE B 70 4.184 -7.157 1.620 1.00 0.00 O ATOM 2578 CB PHE B 70 4.582 -10.226 0.736 1.00 0.00 C ATOM 2579 CG PHE B 70 3.516 -10.861 1.599 1.00 0.00 C ATOM 2580 CD1 PHE B 70 3.836 -11.948 2.423 1.00 0.00 C ATOM 2581 CD2 PHE B 70 2.208 -10.365 1.572 1.00 0.00 C ATOM 2582 CE1 PHE B 70 2.847 -12.537 3.220 1.00 0.00 C ATOM 2583 CE2 PHE B 70 1.220 -10.954 2.370 1.00 0.00 C ATOM 2584 CZ PHE B 70 1.539 -12.040 3.194 1.00 0.00 C ATOM 0 H PHE B 70 5.807 -10.899 2.818 1.00 0.00 H new ATOM 0 HA PHE B 70 6.103 -8.717 0.912 1.00 0.00 H new ATOM 0 HB2 PHE B 70 4.122 -9.722 -0.114 1.00 0.00 H new ATOM 0 HB3 PHE B 70 5.242 -10.994 0.333 1.00 0.00 H new ATOM 0 HD1 PHE B 70 4.845 -12.332 2.443 1.00 0.00 H new ATOM 0 HD2 PHE B 70 1.961 -9.528 0.936 1.00 0.00 H new ATOM 0 HE1 PHE B 70 3.094 -13.375 3.855 1.00 0.00 H new ATOM 0 HE2 PHE B 70 0.211 -10.570 2.350 1.00 0.00 H new ATOM 0 HZ PHE B 70 0.776 -12.494 3.809 1.00 0.00 H new ATOM 2594 N GLN B 71 3.959 -8.472 3.366 1.00 0.00 N ATOM 2595 CA GLN B 71 3.047 -7.506 4.037 1.00 0.00 C ATOM 2596 C GLN B 71 3.885 -6.395 4.667 1.00 0.00 C ATOM 2597 O GLN B 71 3.411 -5.304 4.907 1.00 0.00 O ATOM 2598 CB GLN B 71 2.254 -8.226 5.127 1.00 0.00 C ATOM 2599 CG GLN B 71 1.084 -8.978 4.496 1.00 0.00 C ATOM 2600 CD GLN B 71 -0.232 -8.402 5.017 1.00 0.00 C ATOM 2601 OE1 GLN B 71 -1.152 -9.135 5.321 1.00 0.00 O ATOM 2602 NE2 GLN B 71 -0.361 -7.108 5.134 1.00 0.00 N ATOM 0 H GLN B 71 4.149 -9.326 3.891 1.00 0.00 H new ATOM 0 HA GLN B 71 2.354 -7.082 3.310 1.00 0.00 H new ATOM 0 HB2 GLN B 71 2.901 -8.922 5.662 1.00 0.00 H new ATOM 0 HB3 GLN B 71 1.885 -7.507 5.858 1.00 0.00 H new ATOM 0 HG2 GLN B 71 1.126 -8.893 3.410 1.00 0.00 H new ATOM 0 HG3 GLN B 71 1.149 -10.039 4.735 1.00 0.00 H new ATOM 0 HE21 GLN B 71 0.412 -6.493 4.879 1.00 0.00 H new ATOM 0 HE22 GLN B 71 -1.235 -6.712 5.481 1.00 0.00 H new ATOM 2611 N GLU B 72 5.131 -6.669 4.936 1.00 0.00 N ATOM 2612 CA GLU B 72 6.007 -5.635 5.548 1.00 0.00 C ATOM 2613 C GLU B 72 6.460 -4.656 4.465 1.00 0.00 C ATOM 2614 O GLU B 72 6.340 -3.456 4.610 1.00 0.00 O ATOM 2615 CB GLU B 72 7.224 -6.316 6.175 1.00 0.00 C ATOM 2616 CG GLU B 72 6.971 -6.534 7.666 1.00 0.00 C ATOM 2617 CD GLU B 72 8.033 -5.791 8.478 1.00 0.00 C ATOM 2618 OE1 GLU B 72 9.190 -5.848 8.097 1.00 0.00 O ATOM 2619 OE2 GLU B 72 7.671 -5.178 9.468 1.00 0.00 O ATOM 0 H GLU B 72 5.580 -7.567 4.757 1.00 0.00 H new ATOM 0 HA GLU B 72 5.461 -5.092 6.319 1.00 0.00 H new ATOM 0 HB2 GLU B 72 7.414 -7.270 5.684 1.00 0.00 H new ATOM 0 HB3 GLU B 72 8.113 -5.701 6.032 1.00 0.00 H new ATOM 0 HG2 GLU B 72 5.977 -6.175 7.933 1.00 0.00 H new ATOM 0 HG3 GLU B 72 6.999 -7.599 7.899 1.00 0.00 H new ATOM 2626 N PHE B 73 6.969 -5.158 3.375 1.00 0.00 N ATOM 2627 CA PHE B 73 7.413 -4.251 2.282 1.00 0.00 C ATOM 2628 C PHE B 73 6.178 -3.544 1.707 1.00 0.00 C ATOM 2629 O PHE B 73 6.269 -2.476 1.136 1.00 0.00 O ATOM 2630 CB PHE B 73 8.146 -5.083 1.205 1.00 0.00 C ATOM 2631 CG PHE B 73 7.487 -4.933 -0.151 1.00 0.00 C ATOM 2632 CD1 PHE B 73 6.294 -5.612 -0.423 1.00 0.00 C ATOM 2633 CD2 PHE B 73 8.066 -4.114 -1.127 1.00 0.00 C ATOM 2634 CE1 PHE B 73 5.680 -5.474 -1.672 1.00 0.00 C ATOM 2635 CE2 PHE B 73 7.452 -3.975 -2.378 1.00 0.00 C ATOM 2636 CZ PHE B 73 6.258 -4.654 -2.650 1.00 0.00 C ATOM 0 H PHE B 73 7.096 -6.154 3.194 1.00 0.00 H new ATOM 0 HA PHE B 73 8.105 -3.495 2.653 1.00 0.00 H new ATOM 0 HB2 PHE B 73 9.187 -4.765 1.143 1.00 0.00 H new ATOM 0 HB3 PHE B 73 8.151 -6.134 1.495 1.00 0.00 H new ATOM 0 HD1 PHE B 73 5.847 -6.243 0.332 1.00 0.00 H new ATOM 0 HD2 PHE B 73 8.986 -3.589 -0.916 1.00 0.00 H new ATOM 0 HE1 PHE B 73 4.760 -6.000 -1.883 1.00 0.00 H new ATOM 0 HE2 PHE B 73 7.899 -3.345 -3.132 1.00 0.00 H new ATOM 0 HZ PHE B 73 5.783 -4.546 -3.614 1.00 0.00 H new ATOM 2646 N MET B 74 5.027 -4.141 1.859 1.00 0.00 N ATOM 2647 CA MET B 74 3.785 -3.514 1.328 1.00 0.00 C ATOM 2648 C MET B 74 3.374 -2.356 2.234 1.00 0.00 C ATOM 2649 O MET B 74 3.162 -1.248 1.782 1.00 0.00 O ATOM 2650 CB MET B 74 2.666 -4.557 1.289 1.00 0.00 C ATOM 2651 CG MET B 74 2.319 -4.882 -0.164 1.00 0.00 C ATOM 2652 SD MET B 74 0.776 -4.053 -0.618 1.00 0.00 S ATOM 2653 CE MET B 74 1.507 -2.766 -1.659 1.00 0.00 C ATOM 0 H MET B 74 4.894 -5.037 2.329 1.00 0.00 H new ATOM 0 HA MET B 74 3.966 -3.139 0.321 1.00 0.00 H new ATOM 0 HB2 MET B 74 2.980 -5.462 1.810 1.00 0.00 H new ATOM 0 HB3 MET B 74 1.785 -4.180 1.808 1.00 0.00 H new ATOM 0 HG2 MET B 74 3.125 -4.558 -0.822 1.00 0.00 H new ATOM 0 HG3 MET B 74 2.216 -5.960 -0.292 1.00 0.00 H new ATOM 0 HE1 MET B 74 1.293 -1.787 -1.231 1.00 0.00 H new ATOM 0 HE2 MET B 74 2.586 -2.910 -1.712 1.00 0.00 H new ATOM 0 HE3 MET B 74 1.083 -2.825 -2.662 1.00 0.00 H new ATOM 2663 N ALA B 75 3.266 -2.597 3.511 1.00 0.00 N ATOM 2664 CA ALA B 75 2.878 -1.502 4.437 1.00 0.00 C ATOM 2665 C ALA B 75 4.040 -0.515 4.545 1.00 0.00 C ATOM 2666 O ALA B 75 3.882 0.604 4.990 1.00 0.00 O ATOM 2667 CB ALA B 75 2.558 -2.085 5.815 1.00 0.00 C ATOM 0 H ALA B 75 3.430 -3.503 3.951 1.00 0.00 H new ATOM 0 HA ALA B 75 1.994 -0.988 4.058 1.00 0.00 H new ATOM 0 HB1 ALA B 75 2.274 -1.281 6.493 1.00 0.00 H new ATOM 0 HB2 ALA B 75 1.735 -2.794 5.728 1.00 0.00 H new ATOM 0 HB3 ALA B 75 3.437 -2.596 6.207 1.00 0.00 H new ATOM 2673 N PHE B 76 5.210 -0.924 4.132 1.00 0.00 N ATOM 2674 CA PHE B 76 6.390 -0.017 4.199 1.00 0.00 C ATOM 2675 C PHE B 76 6.366 0.945 3.009 1.00 0.00 C ATOM 2676 O PHE B 76 6.629 2.123 3.146 1.00 0.00 O ATOM 2677 CB PHE B 76 7.673 -0.851 4.151 1.00 0.00 C ATOM 2678 CG PHE B 76 8.253 -0.970 5.540 1.00 0.00 C ATOM 2679 CD1 PHE B 76 7.409 -1.193 6.633 1.00 0.00 C ATOM 2680 CD2 PHE B 76 9.634 -0.860 5.732 1.00 0.00 C ATOM 2681 CE1 PHE B 76 7.946 -1.304 7.920 1.00 0.00 C ATOM 2682 CE2 PHE B 76 10.172 -0.973 7.019 1.00 0.00 C ATOM 2683 CZ PHE B 76 9.329 -1.195 8.113 1.00 0.00 C ATOM 0 H PHE B 76 5.399 -1.851 3.750 1.00 0.00 H new ATOM 0 HA PHE B 76 6.357 0.554 5.127 1.00 0.00 H new ATOM 0 HB2 PHE B 76 7.460 -1.842 3.749 1.00 0.00 H new ATOM 0 HB3 PHE B 76 8.397 -0.385 3.483 1.00 0.00 H new ATOM 0 HD1 PHE B 76 6.343 -1.279 6.483 1.00 0.00 H new ATOM 0 HD2 PHE B 76 10.285 -0.688 4.888 1.00 0.00 H new ATOM 0 HE1 PHE B 76 7.294 -1.474 8.764 1.00 0.00 H new ATOM 0 HE2 PHE B 76 11.238 -0.889 7.168 1.00 0.00 H new ATOM 0 HZ PHE B 76 9.744 -1.282 9.106 1.00 0.00 H new ATOM 2693 N VAL B 77 6.057 0.450 1.840 1.00 0.00 N ATOM 2694 CA VAL B 77 6.023 1.338 0.643 1.00 0.00 C ATOM 2695 C VAL B 77 4.870 2.334 0.773 1.00 0.00 C ATOM 2696 O VAL B 77 4.927 3.431 0.255 1.00 0.00 O ATOM 2697 CB VAL B 77 5.821 0.491 -0.614 1.00 0.00 C ATOM 2698 CG1 VAL B 77 5.701 1.408 -1.832 1.00 0.00 C ATOM 2699 CG2 VAL B 77 7.020 -0.441 -0.796 1.00 0.00 C ATOM 0 H VAL B 77 5.827 -0.528 1.663 1.00 0.00 H new ATOM 0 HA VAL B 77 6.965 1.882 0.571 1.00 0.00 H new ATOM 0 HB VAL B 77 4.911 -0.100 -0.513 1.00 0.00 H new ATOM 0 HG11 VAL B 77 5.557 0.805 -2.729 1.00 0.00 H new ATOM 0 HG12 VAL B 77 4.849 2.075 -1.703 1.00 0.00 H new ATOM 0 HG13 VAL B 77 6.612 1.998 -1.934 1.00 0.00 H new ATOM 0 HG21 VAL B 77 6.878 -1.046 -1.692 1.00 0.00 H new ATOM 0 HG22 VAL B 77 7.929 0.152 -0.899 1.00 0.00 H new ATOM 0 HG23 VAL B 77 7.108 -1.094 0.072 1.00 0.00 H new ATOM 2709 N SER B 78 3.824 1.962 1.456 1.00 0.00 N ATOM 2710 CA SER B 78 2.672 2.891 1.610 1.00 0.00 C ATOM 2711 C SER B 78 3.011 3.970 2.640 1.00 0.00 C ATOM 2712 O SER B 78 2.661 5.121 2.482 1.00 0.00 O ATOM 2713 CB SER B 78 1.446 2.106 2.080 1.00 0.00 C ATOM 2714 OG SER B 78 1.318 0.925 1.301 1.00 0.00 O ATOM 0 H SER B 78 3.718 1.056 1.913 1.00 0.00 H new ATOM 0 HA SER B 78 2.459 3.364 0.651 1.00 0.00 H new ATOM 0 HB2 SER B 78 1.546 1.851 3.135 1.00 0.00 H new ATOM 0 HB3 SER B 78 0.549 2.718 1.984 1.00 0.00 H new ATOM 0 HG SER B 78 1.941 0.245 1.633 1.00 0.00 H new ATOM 2720 N MET B 79 3.685 3.606 3.694 1.00 0.00 N ATOM 2721 CA MET B 79 4.042 4.604 4.736 1.00 0.00 C ATOM 2722 C MET B 79 4.921 5.701 4.131 1.00 0.00 C ATOM 2723 O MET B 79 4.664 6.877 4.294 1.00 0.00 O ATOM 2724 CB MET B 79 4.811 3.899 5.850 1.00 0.00 C ATOM 2725 CG MET B 79 3.890 2.904 6.558 1.00 0.00 C ATOM 2726 SD MET B 79 3.639 3.429 8.270 1.00 0.00 S ATOM 2727 CE MET B 79 4.610 2.117 9.051 1.00 0.00 C ATOM 0 H MET B 79 4.005 2.655 3.878 1.00 0.00 H new ATOM 0 HA MET B 79 3.133 5.056 5.133 1.00 0.00 H new ATOM 0 HB2 MET B 79 5.675 3.379 5.437 1.00 0.00 H new ATOM 0 HB3 MET B 79 5.190 4.631 6.564 1.00 0.00 H new ATOM 0 HG2 MET B 79 2.933 2.846 6.040 1.00 0.00 H new ATOM 0 HG3 MET B 79 4.327 1.906 6.533 1.00 0.00 H new ATOM 0 HE1 MET B 79 4.593 2.247 10.133 1.00 0.00 H new ATOM 0 HE2 MET B 79 4.184 1.147 8.795 1.00 0.00 H new ATOM 0 HE3 MET B 79 5.639 2.166 8.696 1.00 0.00 H new ATOM 2737 N VAL B 80 5.966 5.327 3.447 1.00 0.00 N ATOM 2738 CA VAL B 80 6.867 6.349 2.848 1.00 0.00 C ATOM 2739 C VAL B 80 6.155 7.075 1.702 1.00 0.00 C ATOM 2740 O VAL B 80 6.296 8.270 1.535 1.00 0.00 O ATOM 2741 CB VAL B 80 8.128 5.666 2.320 1.00 0.00 C ATOM 2742 CG1 VAL B 80 9.083 5.393 3.482 1.00 0.00 C ATOM 2743 CG2 VAL B 80 7.754 4.343 1.647 1.00 0.00 C ATOM 0 H VAL B 80 6.235 4.358 3.277 1.00 0.00 H new ATOM 0 HA VAL B 80 7.138 7.078 3.612 1.00 0.00 H new ATOM 0 HB VAL B 80 8.614 6.317 1.593 1.00 0.00 H new ATOM 0 HG11 VAL B 80 9.983 4.906 3.107 1.00 0.00 H new ATOM 0 HG12 VAL B 80 9.353 6.335 3.960 1.00 0.00 H new ATOM 0 HG13 VAL B 80 8.595 4.744 4.209 1.00 0.00 H new ATOM 0 HG21 VAL B 80 8.655 3.858 1.271 1.00 0.00 H new ATOM 0 HG22 VAL B 80 7.267 3.691 2.372 1.00 0.00 H new ATOM 0 HG23 VAL B 80 7.074 4.536 0.818 1.00 0.00 H new ATOM 2753 N THR B 81 5.394 6.370 0.908 1.00 0.00 N ATOM 2754 CA THR B 81 4.685 7.040 -0.219 1.00 0.00 C ATOM 2755 C THR B 81 3.626 7.989 0.342 1.00 0.00 C ATOM 2756 O THR B 81 3.099 8.831 -0.358 1.00 0.00 O ATOM 2757 CB THR B 81 4.013 5.986 -1.107 1.00 0.00 C ATOM 2758 OG1 THR B 81 4.962 4.991 -1.467 1.00 0.00 O ATOM 2759 CG2 THR B 81 3.470 6.654 -2.372 1.00 0.00 C ATOM 0 H THR B 81 5.234 5.366 0.990 1.00 0.00 H new ATOM 0 HA THR B 81 5.402 7.605 -0.814 1.00 0.00 H new ATOM 0 HB THR B 81 3.192 5.523 -0.560 1.00 0.00 H new ATOM 0 HG1 THR B 81 5.016 4.318 -0.757 1.00 0.00 H new ATOM 0 HG21 THR B 81 2.992 5.904 -3.003 1.00 0.00 H new ATOM 0 HG22 THR B 81 2.740 7.415 -2.097 1.00 0.00 H new ATOM 0 HG23 THR B 81 4.290 7.119 -2.919 1.00 0.00 H new ATOM 2767 N THR B 82 3.313 7.863 1.602 1.00 0.00 N ATOM 2768 CA THR B 82 2.293 8.764 2.209 1.00 0.00 C ATOM 2769 C THR B 82 2.995 9.820 3.059 1.00 0.00 C ATOM 2770 O THR B 82 2.402 10.801 3.461 1.00 0.00 O ATOM 2771 CB THR B 82 1.345 7.950 3.091 1.00 0.00 C ATOM 2772 OG1 THR B 82 2.081 6.951 3.783 1.00 0.00 O ATOM 2773 CG2 THR B 82 0.273 7.291 2.222 1.00 0.00 C ATOM 0 H THR B 82 3.719 7.176 2.237 1.00 0.00 H new ATOM 0 HA THR B 82 1.721 9.249 1.418 1.00 0.00 H new ATOM 0 HB THR B 82 0.865 8.611 3.813 1.00 0.00 H new ATOM 0 HG1 THR B 82 2.002 6.098 3.307 1.00 0.00 H new ATOM 0 HG21 THR B 82 -0.401 6.712 2.853 1.00 0.00 H new ATOM 0 HG22 THR B 82 -0.293 8.060 1.697 1.00 0.00 H new ATOM 0 HG23 THR B 82 0.748 6.631 1.496 1.00 0.00 H new ATOM 2781 N ALA B 83 4.254 9.629 3.340 1.00 0.00 N ATOM 2782 CA ALA B 83 4.994 10.624 4.166 1.00 0.00 C ATOM 2783 C ALA B 83 5.500 11.763 3.273 1.00 0.00 C ATOM 2784 O ALA B 83 6.625 12.202 3.392 1.00 0.00 O ATOM 2785 CB ALA B 83 6.182 9.939 4.842 1.00 0.00 C ATOM 0 H ALA B 83 4.803 8.826 3.033 1.00 0.00 H new ATOM 0 HA ALA B 83 4.327 11.032 4.925 1.00 0.00 H new ATOM 0 HB1 ALA B 83 6.725 10.665 5.447 1.00 0.00 H new ATOM 0 HB2 ALA B 83 5.822 9.132 5.480 1.00 0.00 H new ATOM 0 HB3 ALA B 83 6.847 9.531 4.081 1.00 0.00 H new