USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1027 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 46 ASN :FLIP amide:sc= -2.91! C(o=-4.3!,f=-2.9!) USER MOD Set 1.2: B 48 GLN : amide:sc= -0.0317 K(o=-2.9,f=-3.5) USER MOD Set 2.1: A 27 LYS NZ :NH3+ -142:sc= -1.51 (180deg=-4.26!) USER MOD Set 2.2: B 43 THR OG1 : rot -170:sc= 0 USER MOD Set 3.1: A 25 SER OG : rot -63:sc= -0.665 USER MOD Set 3.2: B 29 LYS NZ :NH3+ 161:sc= -0.52 (180deg=-1.26) USER MOD Set 4.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: B 27 LYS NZ :NH3+ 151:sc= -0.107 (180deg=-0.675) USER MOD Set 5.1: B 19 HIS : no HD1:sc= -3! C(o=-3!,f=-2.6!) USER MOD Set 5.2: B 21 LYS NZ :NH3+ -176:sc= -0.0408 (180deg=0) USER MOD Set 6.1: A 46 ASN :FLIP amide:sc= -1.76! C(o=-3.7!,f=-0.61!) USER MOD Set 6.2: A 48 GLN :FLIP amide:sc= 1.15 F(o=-2.9,f=-0.61) USER MOD Set 7.1: A 29 LYS NZ :NH3+ 176:sc= 0.602 (180deg=0.591) USER MOD Set 7.2: A 34 HIS : no HE2:sc= -4.14! C(o=-3.5!,f=-4.6!) USER MOD Set 8.1: A 14 THR OG1 : rot 141:sc= 0.121 USER MOD Set 8.2: A 53 ASN : amide:sc= 0.0533 K(o=0.17,f=-2.4) USER MOD Single : A 10 GLN : amide:sc=-0.00244 X(o=-0.0024,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.227 K(o=-0.23,f=-4!) USER MOD Single : A 16 GLN : amide:sc= -3.45! C(o=-3.5!,f=-3.2!) USER MOD Single : A 19 HIS : no HD1:sc= -0.559 X(o=-0.56,f=-0.21) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -2.81! C(o=-2.8!,f=-4.1!) USER MOD Single : A 24 GLN :FLIP amide:sc= -0.465 F(o=-1,f=-0.46) USER MOD Single : A 30 SER OG : rot 180:sc= -0.689 USER MOD Single : A 37 GLN :FLIP amide:sc= -3.04! C(o=-4.5!,f=-3!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.276) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -164:sc= -0.772 USER MOD Single : A 58 MET CE :methyl -147:sc= -0.174 (180deg=-0.959) USER MOD Single : A 60 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0165) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -150:sc= -6! (180deg=-9.08!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.634 X(o=-0.63,f=-0.26) USER MOD Single : B 10 GLN : amide:sc= -0.0213 X(o=-0.021,f=0) USER MOD Single : B 13 GLN : amide:sc=-0.00611 X(o=-0.0061,f=0) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 22 ASN : amide:sc= -1.77 K(o=-1.8,f=-3.2!) USER MOD Single : B 24 GLN : amide:sc= 0.672 K(o=0.67,f=0) USER MOD Single : B 25 SER OG : rot 180:sc= -1.06 USER MOD Single : B 30 SER OG : rot 180:sc= -1.26 USER MOD Single : B 34 HIS : no HD1:sc= -4.03! C(o=-4!,f=-6!) USER MOD Single : B 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 ASN : amide:sc= -3.3! X(o=-3.3!,f=-3.1) USER MOD Single : B 56 SER OG : rot 180:sc=-0.00462 USER MOD Single : B 58 MET CE :methyl -170:sc= -1.2 (180deg=-1.77) USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 MET CE :methyl -143:sc= -4.02! (180deg=-8.39!) USER MOD Single : B 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 ASN : amide:sc= -0.019 X(o=-0.019,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 49 N ARG A 8 -3.397 -16.061 -10.631 1.00 0.00 N ATOM 50 CA ARG A 8 -2.746 -16.465 -9.396 1.00 0.00 C ATOM 51 C ARG A 8 -2.280 -15.236 -8.614 1.00 0.00 C ATOM 52 O ARG A 8 -2.940 -14.198 -8.632 1.00 0.00 O ATOM 53 CB ARG A 8 -1.542 -17.367 -9.678 1.00 0.00 C ATOM 54 CG ARG A 8 -1.886 -18.429 -10.725 1.00 0.00 C ATOM 55 CD ARG A 8 -2.538 -19.650 -10.074 1.00 0.00 C ATOM 56 NE ARG A 8 -3.194 -20.485 -11.106 1.00 0.00 N ATOM 57 CZ ARG A 8 -3.932 -21.570 -10.837 1.00 0.00 C ATOM 58 NH1 ARG A 8 -4.114 -21.958 -9.567 1.00 0.00 N ATOM 59 NH2 ARG A 8 -4.489 -22.266 -11.837 1.00 0.00 N ATOM 0 HA ARG A 8 -3.473 -17.022 -8.805 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -0.705 -16.763 -10.029 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.222 -17.851 -8.755 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.560 -18.006 -11.469 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -0.981 -18.733 -11.251 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.786 -20.235 -9.545 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.271 -19.330 -9.334 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.077 -20.217 -12.083 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -3.691 -21.427 -8.806 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -4.676 -22.784 -9.362 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.351 -21.970 -12.803 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.051 -23.092 -11.632 1.00 0.00 H new ATOM 73 N CYS A 9 -1.148 -15.393 -7.945 1.00 0.00 N ATOM 74 CA CYS A 9 -0.586 -14.309 -7.158 1.00 0.00 C ATOM 75 C CYS A 9 0.440 -13.571 -8.019 1.00 0.00 C ATOM 76 O CYS A 9 1.163 -14.191 -8.797 1.00 0.00 O ATOM 77 CB CYS A 9 0.026 -14.816 -5.850 1.00 0.00 C ATOM 78 SG CYS A 9 -1.116 -15.776 -4.790 1.00 0.00 S ATOM 0 H CYS A 9 -0.604 -16.256 -7.932 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.379 -13.619 -6.868 1.00 0.00 H new ATOM 0 HB2 CYS A 9 0.889 -15.438 -6.086 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.394 -13.962 -5.282 1.00 0.00 H new ATOM 83 N GLN A 10 0.471 -12.257 -7.852 1.00 0.00 N ATOM 84 CA GLN A 10 1.396 -11.427 -8.604 1.00 0.00 C ATOM 85 C GLN A 10 2.815 -11.579 -8.051 1.00 0.00 C ATOM 86 O GLN A 10 3.762 -11.020 -8.601 1.00 0.00 O ATOM 87 CB GLN A 10 0.956 -9.962 -8.591 1.00 0.00 C ATOM 88 CG GLN A 10 1.280 -9.280 -9.921 1.00 0.00 C ATOM 89 CD GLN A 10 2.058 -7.982 -9.696 1.00 0.00 C ATOM 90 OE1 GLN A 10 3.155 -7.791 -10.194 1.00 0.00 O ATOM 91 NE2 GLN A 10 1.431 -7.103 -8.920 1.00 0.00 N ATOM 0 H GLN A 10 -0.131 -11.746 -7.206 1.00 0.00 H new ATOM 0 HA GLN A 10 1.393 -11.762 -9.641 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.115 -9.902 -8.399 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.455 -9.436 -7.777 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.864 -9.955 -10.547 1.00 0.00 H new ATOM 0 HG3 GLN A 10 0.356 -9.066 -10.459 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.513 -7.326 -8.535 1.00 0.00 H new ATOM 0 HE22 GLN A 10 1.868 -6.206 -8.710 1.00 0.00 H new ATOM 100 N CYS A 11 2.916 -12.337 -6.969 1.00 0.00 N ATOM 101 CA CYS A 11 4.203 -12.568 -6.335 1.00 0.00 C ATOM 102 C CYS A 11 4.235 -14.011 -5.826 1.00 0.00 C ATOM 103 O CYS A 11 3.325 -14.444 -5.121 1.00 0.00 O ATOM 104 CB CYS A 11 4.471 -11.561 -5.215 1.00 0.00 C ATOM 105 SG CYS A 11 5.974 -10.543 -5.442 1.00 0.00 S ATOM 0 H CYS A 11 2.128 -12.799 -6.515 1.00 0.00 H new ATOM 0 HA CYS A 11 5.001 -12.423 -7.063 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.610 -10.898 -5.128 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.554 -12.101 -4.272 1.00 0.00 H new ATOM 110 N LEU A 12 5.292 -14.714 -6.203 1.00 0.00 N ATOM 111 CA LEU A 12 5.455 -16.099 -5.793 1.00 0.00 C ATOM 112 C LEU A 12 6.369 -16.159 -4.568 1.00 0.00 C ATOM 113 O LEU A 12 6.392 -17.162 -3.855 1.00 0.00 O ATOM 114 CB LEU A 12 5.942 -16.951 -6.967 1.00 0.00 C ATOM 115 CG LEU A 12 5.274 -16.679 -8.316 1.00 0.00 C ATOM 116 CD1 LEU A 12 6.216 -17.019 -9.473 1.00 0.00 C ATOM 117 CD2 LEU A 12 3.940 -17.420 -8.427 1.00 0.00 C ATOM 0 H LEU A 12 6.045 -14.351 -6.788 1.00 0.00 H new ATOM 0 HA LEU A 12 4.496 -16.525 -5.497 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.016 -16.800 -7.079 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.792 -18.001 -6.715 1.00 0.00 H new ATOM 0 HG LEU A 12 5.057 -15.613 -8.380 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.716 -16.817 -10.420 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.117 -16.409 -9.400 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.487 -18.074 -9.424 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.486 -17.209 -9.395 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.110 -18.492 -8.332 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.272 -17.087 -7.633 1.00 0.00 H new ATOM 129 N GLN A 13 7.101 -15.075 -4.361 1.00 0.00 N ATOM 130 CA GLN A 13 8.015 -14.992 -3.234 1.00 0.00 C ATOM 131 C GLN A 13 7.759 -13.712 -2.436 1.00 0.00 C ATOM 132 O GLN A 13 6.966 -12.867 -2.849 1.00 0.00 O ATOM 133 CB GLN A 13 9.470 -15.065 -3.702 1.00 0.00 C ATOM 134 CG GLN A 13 10.317 -15.888 -2.729 1.00 0.00 C ATOM 135 CD GLN A 13 11.455 -15.047 -2.147 1.00 0.00 C ATOM 136 OE1 GLN A 13 11.285 -13.897 -1.777 1.00 0.00 O ATOM 137 NE2 GLN A 13 12.622 -15.683 -2.088 1.00 0.00 N ATOM 0 H GLN A 13 7.080 -14.246 -4.955 1.00 0.00 H new ATOM 0 HA GLN A 13 7.835 -15.846 -2.581 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.514 -15.511 -4.696 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.880 -14.059 -3.786 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.688 -16.264 -1.922 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.728 -16.756 -3.244 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.695 -16.646 -2.415 1.00 0.00 H new ATOM 0 HE22 GLN A 13 13.444 -15.207 -1.716 1.00 0.00 H new ATOM 146 N THR A 14 8.445 -13.609 -1.308 1.00 0.00 N ATOM 147 CA THR A 14 8.303 -12.446 -0.448 1.00 0.00 C ATOM 148 C THR A 14 9.514 -12.314 0.476 1.00 0.00 C ATOM 149 O THR A 14 10.293 -13.255 0.623 1.00 0.00 O ATOM 150 CB THR A 14 6.976 -12.573 0.303 1.00 0.00 C ATOM 151 OG1 THR A 14 6.877 -13.964 0.599 1.00 0.00 O ATOM 152 CG2 THR A 14 5.767 -12.296 -0.593 1.00 0.00 C ATOM 0 H THR A 14 9.101 -14.312 -0.969 1.00 0.00 H new ATOM 0 HA THR A 14 8.277 -11.525 -1.030 1.00 0.00 H new ATOM 0 HB THR A 14 6.969 -11.882 1.146 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.505 -14.081 1.498 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.851 -12.400 -0.011 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.832 -11.283 -0.989 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.755 -13.008 -1.418 1.00 0.00 H new ATOM 160 N LEU A 15 9.635 -11.140 1.077 1.00 0.00 N ATOM 161 CA LEU A 15 10.739 -10.873 1.984 1.00 0.00 C ATOM 162 C LEU A 15 10.203 -10.759 3.413 1.00 0.00 C ATOM 163 O LEU A 15 9.162 -10.145 3.642 1.00 0.00 O ATOM 164 CB LEU A 15 11.526 -9.644 1.523 1.00 0.00 C ATOM 165 CG LEU A 15 12.162 -9.738 0.135 1.00 0.00 C ATOM 166 CD1 LEU A 15 12.272 -8.355 -0.512 1.00 0.00 C ATOM 167 CD2 LEU A 15 13.514 -10.451 0.198 1.00 0.00 C ATOM 0 H LEU A 15 8.987 -10.362 0.954 1.00 0.00 H new ATOM 0 HA LEU A 15 11.449 -11.700 1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.858 -8.783 1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.314 -9.448 2.250 1.00 0.00 H new ATOM 0 HG LEU A 15 11.511 -10.340 -0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 15 12.727 -8.450 -1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.278 -7.920 -0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 15 12.889 -7.709 0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.944 -10.504 -0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 15 14.187 -9.898 0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.376 -11.460 0.588 1.00 0.00 H new ATOM 179 N GLN A 16 10.938 -11.361 4.336 1.00 0.00 N ATOM 180 CA GLN A 16 10.550 -11.336 5.736 1.00 0.00 C ATOM 181 C GLN A 16 10.680 -9.918 6.297 1.00 0.00 C ATOM 182 O GLN A 16 10.168 -9.624 7.375 1.00 0.00 O ATOM 183 CB GLN A 16 11.381 -12.327 6.553 1.00 0.00 C ATOM 184 CG GLN A 16 11.270 -12.032 8.050 1.00 0.00 C ATOM 185 CD GLN A 16 12.313 -11.000 8.485 1.00 0.00 C ATOM 186 OE1 GLN A 16 13.478 -11.070 8.131 1.00 0.00 O ATOM 187 NE2 GLN A 16 11.830 -10.041 9.270 1.00 0.00 N ATOM 0 H GLN A 16 11.801 -11.869 4.142 1.00 0.00 H new ATOM 0 HA GLN A 16 9.506 -11.641 5.809 1.00 0.00 H new ATOM 0 HB2 GLN A 16 11.042 -13.343 6.353 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.425 -12.273 6.244 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.270 -11.662 8.278 1.00 0.00 H new ATOM 0 HG3 GLN A 16 11.406 -12.953 8.617 1.00 0.00 H new ATOM 0 HE21 GLN A 16 10.843 -10.042 9.528 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.446 -9.304 9.614 1.00 0.00 H new ATOM 196 N GLY A 17 11.369 -9.077 5.539 1.00 0.00 N ATOM 197 CA GLY A 17 11.572 -7.697 5.947 1.00 0.00 C ATOM 198 C GLY A 17 12.895 -7.154 5.403 1.00 0.00 C ATOM 199 O GLY A 17 13.958 -7.425 5.961 1.00 0.00 O ATOM 0 H GLY A 17 11.793 -9.325 4.645 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.747 -7.082 5.587 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.568 -7.631 7.035 1.00 0.00 H new ATOM 203 N ILE A 18 12.787 -6.397 4.321 1.00 0.00 N ATOM 204 CA ILE A 18 13.962 -5.814 3.696 1.00 0.00 C ATOM 205 C ILE A 18 14.181 -4.404 4.248 1.00 0.00 C ATOM 206 O ILE A 18 13.256 -3.789 4.775 1.00 0.00 O ATOM 207 CB ILE A 18 13.839 -5.865 2.171 1.00 0.00 C ATOM 208 CG1 ILE A 18 14.304 -7.218 1.629 1.00 0.00 C ATOM 209 CG2 ILE A 18 14.586 -4.699 1.521 1.00 0.00 C ATOM 210 CD1 ILE A 18 15.757 -7.495 2.020 1.00 0.00 C ATOM 0 H ILE A 18 11.904 -6.174 3.861 1.00 0.00 H new ATOM 0 HA ILE A 18 14.851 -6.395 3.941 1.00 0.00 H new ATOM 0 HB ILE A 18 12.786 -5.758 1.909 1.00 0.00 H new ATOM 0 HG12 ILE A 18 13.662 -8.009 2.017 1.00 0.00 H new ATOM 0 HG13 ILE A 18 14.207 -7.232 0.543 1.00 0.00 H new ATOM 0 HG21 ILE A 18 14.482 -4.759 0.438 1.00 0.00 H new ATOM 0 HG22 ILE A 18 14.167 -3.757 1.874 1.00 0.00 H new ATOM 0 HG23 ILE A 18 15.642 -4.749 1.788 1.00 0.00 H new ATOM 0 HD11 ILE A 18 16.063 -8.463 1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 18 16.399 -6.715 1.610 1.00 0.00 H new ATOM 0 HD13 ILE A 18 15.846 -7.505 3.106 1.00 0.00 H new ATOM 222 N HIS A 19 15.411 -3.933 4.107 1.00 0.00 N ATOM 223 CA HIS A 19 15.764 -2.607 4.586 1.00 0.00 C ATOM 224 C HIS A 19 14.771 -1.582 4.035 1.00 0.00 C ATOM 225 O HIS A 19 14.468 -1.584 2.842 1.00 0.00 O ATOM 226 CB HIS A 19 17.216 -2.272 4.238 1.00 0.00 C ATOM 227 CG HIS A 19 17.987 -1.634 5.369 1.00 0.00 C ATOM 228 ND1 HIS A 19 19.282 -1.168 5.225 1.00 0.00 N ATOM 229 CD2 HIS A 19 17.631 -1.389 6.663 1.00 0.00 C ATOM 230 CE1 HIS A 19 19.678 -0.668 6.386 1.00 0.00 C ATOM 231 NE2 HIS A 19 18.654 -0.806 7.276 1.00 0.00 N ATOM 0 H HIS A 19 16.176 -4.446 3.668 1.00 0.00 H new ATOM 0 HA HIS A 19 15.697 -2.579 5.674 1.00 0.00 H new ATOM 0 HB2 HIS A 19 17.726 -3.186 3.934 1.00 0.00 H new ATOM 0 HB3 HIS A 19 17.227 -1.600 3.380 1.00 0.00 H new ATOM 0 HD2 HIS A 19 16.679 -1.629 7.112 1.00 0.00 H new ATOM 0 HE1 HIS A 19 20.643 -0.228 6.592 1.00 0.00 H new ATOM 0 HE2 HIS A 19 18.671 -0.510 8.252 1.00 0.00 H new ATOM 239 N LEU A 20 14.292 -0.729 4.929 1.00 0.00 N ATOM 240 CA LEU A 20 13.340 0.299 4.547 1.00 0.00 C ATOM 241 C LEU A 20 14.099 1.541 4.075 1.00 0.00 C ATOM 242 O LEU A 20 13.512 2.613 3.927 1.00 0.00 O ATOM 243 CB LEU A 20 12.361 0.574 5.690 1.00 0.00 C ATOM 244 CG LEU A 20 11.022 1.199 5.291 1.00 0.00 C ATOM 245 CD1 LEU A 20 11.171 2.701 5.039 1.00 0.00 C ATOM 246 CD2 LEU A 20 10.415 0.473 4.088 1.00 0.00 C ATOM 0 H LEU A 20 14.546 -0.729 5.917 1.00 0.00 H new ATOM 0 HA LEU A 20 12.730 -0.039 3.710 1.00 0.00 H new ATOM 0 HB2 LEU A 20 12.162 -0.366 6.205 1.00 0.00 H new ATOM 0 HB3 LEU A 20 12.848 1.234 6.408 1.00 0.00 H new ATOM 0 HG LEU A 20 10.328 1.080 6.123 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.205 3.120 4.757 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.527 3.189 5.946 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.887 2.866 4.234 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.464 0.937 3.825 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.098 0.539 3.241 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.250 -0.574 4.340 1.00 0.00 H new ATOM 258 N LYS A 21 15.392 1.357 3.853 1.00 0.00 N ATOM 259 CA LYS A 21 16.237 2.449 3.402 1.00 0.00 C ATOM 260 C LYS A 21 16.280 2.456 1.872 1.00 0.00 C ATOM 261 O LYS A 21 16.619 3.469 1.262 1.00 0.00 O ATOM 262 CB LYS A 21 17.618 2.364 4.056 1.00 0.00 C ATOM 263 CG LYS A 21 17.566 2.838 5.509 1.00 0.00 C ATOM 264 CD LYS A 21 18.192 4.227 5.656 1.00 0.00 C ATOM 265 CE LYS A 21 18.206 4.671 7.120 1.00 0.00 C ATOM 266 NZ LYS A 21 19.382 5.527 7.391 1.00 0.00 N ATOM 0 H LYS A 21 15.875 0.467 3.977 1.00 0.00 H new ATOM 0 HA LYS A 21 15.821 3.407 3.714 1.00 0.00 H new ATOM 0 HB2 LYS A 21 17.980 1.337 4.018 1.00 0.00 H new ATOM 0 HB3 LYS A 21 18.328 2.973 3.496 1.00 0.00 H new ATOM 0 HG2 LYS A 21 16.531 2.864 5.850 1.00 0.00 H new ATOM 0 HG3 LYS A 21 18.094 2.128 6.146 1.00 0.00 H new ATOM 0 HD2 LYS A 21 19.210 4.214 5.267 1.00 0.00 H new ATOM 0 HD3 LYS A 21 17.632 4.947 5.059 1.00 0.00 H new ATOM 0 HE2 LYS A 21 17.291 5.217 7.349 1.00 0.00 H new ATOM 0 HE3 LYS A 21 18.227 3.797 7.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 19.376 5.819 8.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 20.253 4.994 7.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 19.345 6.370 6.783 1.00 0.00 H new ATOM 280 N ASN A 22 15.933 1.314 1.297 1.00 0.00 N ATOM 281 CA ASN A 22 15.928 1.176 -0.149 1.00 0.00 C ATOM 282 C ASN A 22 14.501 1.361 -0.670 1.00 0.00 C ATOM 283 O ASN A 22 14.295 1.940 -1.735 1.00 0.00 O ATOM 284 CB ASN A 22 16.409 -0.213 -0.572 1.00 0.00 C ATOM 285 CG ASN A 22 17.844 -0.160 -1.100 1.00 0.00 C ATOM 286 OD1 ASN A 22 18.166 0.571 -2.022 1.00 0.00 O ATOM 287 ND2 ASN A 22 18.685 -0.972 -0.466 1.00 0.00 N ATOM 0 H ASN A 22 15.653 0.476 1.807 1.00 0.00 H new ATOM 0 HA ASN A 22 16.598 1.930 -0.562 1.00 0.00 H new ATOM 0 HB2 ASN A 22 16.355 -0.894 0.277 1.00 0.00 H new ATOM 0 HB3 ASN A 22 15.749 -0.611 -1.343 1.00 0.00 H new ATOM 0 HD21 ASN A 22 19.666 -1.009 -0.744 1.00 0.00 H new ATOM 0 HD22 ASN A 22 18.349 -1.558 0.298 1.00 0.00 H new ATOM 294 N ILE A 23 13.552 0.858 0.106 1.00 0.00 N ATOM 295 CA ILE A 23 12.151 0.960 -0.264 1.00 0.00 C ATOM 296 C ILE A 23 11.796 2.429 -0.500 1.00 0.00 C ATOM 297 O ILE A 23 12.108 3.287 0.324 1.00 0.00 O ATOM 298 CB ILE A 23 11.269 0.275 0.783 1.00 0.00 C ATOM 299 CG1 ILE A 23 11.140 -1.222 0.496 1.00 0.00 C ATOM 300 CG2 ILE A 23 9.905 0.960 0.883 1.00 0.00 C ATOM 301 CD1 ILE A 23 11.283 -2.041 1.780 1.00 0.00 C ATOM 0 H ILE A 23 13.726 0.379 0.989 1.00 0.00 H new ATOM 0 HA ILE A 23 11.965 0.432 -1.199 1.00 0.00 H new ATOM 0 HB ILE A 23 11.751 0.375 1.755 1.00 0.00 H new ATOM 0 HG12 ILE A 23 10.173 -1.426 0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 23 11.904 -1.526 -0.220 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.298 0.454 1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.042 2.003 1.169 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.402 0.912 -0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.187 -3.102 1.548 1.00 0.00 H new ATOM 0 HD12 ILE A 23 12.261 -1.854 2.224 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.503 -1.752 2.485 1.00 0.00 H new ATOM 313 N GLN A 24 11.149 2.674 -1.630 1.00 0.00 N ATOM 314 CA GLN A 24 10.748 4.025 -1.985 1.00 0.00 C ATOM 315 C GLN A 24 9.223 4.141 -1.995 1.00 0.00 C ATOM 316 O GLN A 24 8.678 5.230 -1.818 1.00 0.00 O ATOM 317 CB GLN A 24 11.338 4.434 -3.337 1.00 0.00 C ATOM 318 CG GLN A 24 11.846 5.876 -3.299 1.00 0.00 C ATOM 319 CD GLN A 24 10.689 6.862 -3.125 1.00 0.00 C ATOM 320 OE1 GLN A 24 9.712 6.711 -4.015 1.00 0.00 O flip ATOM 321 NE2 GLN A 24 10.683 7.703 -2.242 1.00 0.00 N flip ATOM 0 H GLN A 24 10.892 1.960 -2.312 1.00 0.00 H new ATOM 0 HA GLN A 24 11.140 4.709 -1.232 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.156 3.763 -3.599 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.581 4.332 -4.114 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.555 5.994 -2.479 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.384 6.100 -4.220 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.466 7.765 -1.591 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.895 8.345 -2.154 1.00 0.00 H new ATOM 330 N SER A 25 8.576 3.003 -2.202 1.00 0.00 N ATOM 331 CA SER A 25 7.124 2.964 -2.237 1.00 0.00 C ATOM 332 C SER A 25 6.625 1.604 -1.744 1.00 0.00 C ATOM 333 O SER A 25 7.393 0.645 -1.676 1.00 0.00 O ATOM 334 CB SER A 25 6.599 3.243 -3.647 1.00 0.00 C ATOM 335 OG SER A 25 7.604 3.796 -4.491 1.00 0.00 O ATOM 0 H SER A 25 9.031 2.102 -2.347 1.00 0.00 H new ATOM 0 HA SER A 25 6.745 3.744 -1.577 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.227 2.317 -4.085 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.755 3.930 -3.590 1.00 0.00 H new ATOM 0 HG SER A 25 7.887 4.665 -4.137 1.00 0.00 H new ATOM 341 N VAL A 26 5.343 1.564 -1.413 1.00 0.00 N ATOM 342 CA VAL A 26 4.733 0.337 -0.929 1.00 0.00 C ATOM 343 C VAL A 26 3.444 0.072 -1.708 1.00 0.00 C ATOM 344 O VAL A 26 2.624 0.972 -1.884 1.00 0.00 O ATOM 345 CB VAL A 26 4.511 0.425 0.583 1.00 0.00 C ATOM 346 CG1 VAL A 26 3.555 -0.670 1.061 1.00 0.00 C ATOM 347 CG2 VAL A 26 5.841 0.360 1.337 1.00 0.00 C ATOM 0 H VAL A 26 4.710 2.361 -1.470 1.00 0.00 H new ATOM 0 HA VAL A 26 5.395 -0.512 -1.098 1.00 0.00 H new ATOM 0 HB VAL A 26 4.051 1.389 0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.414 -0.585 2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.594 -0.558 0.560 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.975 -1.648 0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.655 0.425 2.409 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.341 -0.582 1.112 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.475 1.191 1.028 1.00 0.00 H new ATOM 357 N LYS A 27 3.304 -1.168 -2.154 1.00 0.00 N ATOM 358 CA LYS A 27 2.128 -1.564 -2.910 1.00 0.00 C ATOM 359 C LYS A 27 1.538 -2.836 -2.299 1.00 0.00 C ATOM 360 O LYS A 27 2.216 -3.858 -2.208 1.00 0.00 O ATOM 361 CB LYS A 27 2.467 -1.696 -4.397 1.00 0.00 C ATOM 362 CG LYS A 27 1.261 -2.204 -5.190 1.00 0.00 C ATOM 363 CD LYS A 27 0.000 -1.414 -4.836 1.00 0.00 C ATOM 364 CE LYS A 27 -0.869 -1.184 -6.075 1.00 0.00 C ATOM 365 NZ LYS A 27 -2.116 -0.477 -5.709 1.00 0.00 N ATOM 0 H LYS A 27 3.986 -1.912 -2.006 1.00 0.00 H new ATOM 0 HA LYS A 27 1.359 -0.794 -2.848 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.784 -0.729 -4.789 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.305 -2.381 -4.523 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.461 -2.117 -6.258 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.103 -3.262 -4.980 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.572 -1.954 -4.081 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.278 -0.455 -4.399 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.316 -0.601 -6.811 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.109 -2.140 -6.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.907 -0.855 -6.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.310 -0.617 -4.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.009 0.539 -5.904 1.00 0.00 H new ATOM 379 N VAL A 28 0.281 -2.731 -1.894 1.00 0.00 N ATOM 380 CA VAL A 28 -0.409 -3.860 -1.293 1.00 0.00 C ATOM 381 C VAL A 28 -1.574 -4.277 -2.192 1.00 0.00 C ATOM 382 O VAL A 28 -2.470 -3.479 -2.464 1.00 0.00 O ATOM 383 CB VAL A 28 -0.848 -3.508 0.130 1.00 0.00 C ATOM 384 CG1 VAL A 28 -1.965 -4.439 0.605 1.00 0.00 C ATOM 385 CG2 VAL A 28 0.340 -3.541 1.094 1.00 0.00 C ATOM 0 H VAL A 28 -0.278 -1.881 -1.970 1.00 0.00 H new ATOM 0 HA VAL A 28 0.260 -4.716 -1.210 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.242 -2.492 0.118 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.259 -4.167 1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.824 -4.345 -0.059 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.609 -5.469 0.594 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.001 -3.287 2.098 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.776 -4.540 1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.091 -2.819 0.771 1.00 0.00 H new ATOM 395 N LYS A 29 -1.525 -5.527 -2.628 1.00 0.00 N ATOM 396 CA LYS A 29 -2.566 -6.060 -3.491 1.00 0.00 C ATOM 397 C LYS A 29 -3.189 -7.291 -2.830 1.00 0.00 C ATOM 398 O LYS A 29 -2.761 -8.417 -3.078 1.00 0.00 O ATOM 399 CB LYS A 29 -2.014 -6.328 -4.893 1.00 0.00 C ATOM 400 CG LYS A 29 -3.149 -6.505 -5.904 1.00 0.00 C ATOM 401 CD LYS A 29 -3.689 -7.936 -5.877 1.00 0.00 C ATOM 402 CE LYS A 29 -3.798 -8.508 -7.292 1.00 0.00 C ATOM 403 NZ LYS A 29 -4.094 -9.957 -7.244 1.00 0.00 N ATOM 0 H LYS A 29 -0.781 -6.186 -2.400 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.364 -5.329 -3.622 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.374 -5.501 -5.200 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.392 -7.223 -4.878 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.953 -5.805 -5.679 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.789 -6.267 -6.905 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.032 -8.565 -5.276 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.668 -7.950 -5.399 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.583 -7.988 -7.841 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.866 -8.339 -7.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.232 -10.315 -8.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.300 -10.459 -6.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.959 -10.116 -6.689 1.00 0.00 H new ATOM 417 N SER A 30 -4.191 -7.035 -2.002 1.00 0.00 N ATOM 418 CA SER A 30 -4.878 -8.108 -1.303 1.00 0.00 C ATOM 419 C SER A 30 -5.219 -9.234 -2.281 1.00 0.00 C ATOM 420 O SER A 30 -4.994 -9.107 -3.484 1.00 0.00 O ATOM 421 CB SER A 30 -6.147 -7.596 -0.619 1.00 0.00 C ATOM 422 OG SER A 30 -7.328 -8.064 -1.265 1.00 0.00 O ATOM 0 H SER A 30 -4.544 -6.100 -1.799 1.00 0.00 H new ATOM 0 HA SER A 30 -4.213 -8.495 -0.531 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.152 -7.917 0.423 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.143 -6.506 -0.617 1.00 0.00 H new ATOM 0 HG SER A 30 -8.116 -7.717 -0.798 1.00 0.00 H new ATOM 428 N PRO A 31 -5.771 -10.340 -1.714 1.00 0.00 N ATOM 429 CA PRO A 31 -6.146 -11.488 -2.522 1.00 0.00 C ATOM 430 C PRO A 31 -7.428 -11.210 -3.309 1.00 0.00 C ATOM 431 O PRO A 31 -8.093 -10.200 -3.082 1.00 0.00 O ATOM 432 CB PRO A 31 -6.292 -12.634 -1.534 1.00 0.00 C ATOM 433 CG PRO A 31 -6.451 -11.988 -0.167 1.00 0.00 C ATOM 434 CD PRO A 31 -6.052 -10.527 -0.293 1.00 0.00 C ATOM 0 HA PRO A 31 -5.403 -11.728 -3.282 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.157 -13.252 -1.777 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.418 -13.285 -1.559 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.481 -12.074 0.178 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.825 -12.493 0.569 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.853 -9.868 0.042 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.177 -10.302 0.317 1.00 0.00 H new ATOM 442 N GLY A 32 -7.736 -12.123 -4.218 1.00 0.00 N ATOM 443 CA GLY A 32 -8.927 -11.988 -5.040 1.00 0.00 C ATOM 444 C GLY A 32 -9.563 -13.353 -5.311 1.00 0.00 C ATOM 445 O GLY A 32 -9.348 -14.302 -4.559 1.00 0.00 O ATOM 0 H GLY A 32 -7.182 -12.959 -4.404 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.647 -11.340 -4.540 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.669 -11.509 -5.984 1.00 0.00 H new ATOM 449 N PRO A 33 -10.355 -13.409 -6.415 1.00 0.00 N ATOM 450 CA PRO A 33 -11.024 -14.641 -6.795 1.00 0.00 C ATOM 451 C PRO A 33 -10.036 -15.635 -7.410 1.00 0.00 C ATOM 452 O PRO A 33 -10.422 -16.732 -7.811 1.00 0.00 O ATOM 453 CB PRO A 33 -12.117 -14.214 -7.761 1.00 0.00 C ATOM 454 CG PRO A 33 -11.726 -12.828 -8.246 1.00 0.00 C ATOM 455 CD PRO A 33 -10.633 -12.304 -7.329 1.00 0.00 C ATOM 0 HA PRO A 33 -11.450 -15.169 -5.942 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -12.196 -14.912 -8.595 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.089 -14.195 -7.268 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.372 -12.870 -9.276 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.588 -12.161 -8.232 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.744 -12.023 -7.893 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -10.961 -11.416 -6.789 1.00 0.00 H new ATOM 463 N HIS A 34 -8.781 -15.214 -7.466 1.00 0.00 N ATOM 464 CA HIS A 34 -7.735 -16.053 -8.026 1.00 0.00 C ATOM 465 C HIS A 34 -6.710 -16.387 -6.940 1.00 0.00 C ATOM 466 O HIS A 34 -6.475 -17.557 -6.641 1.00 0.00 O ATOM 467 CB HIS A 34 -7.106 -15.391 -9.253 1.00 0.00 C ATOM 468 CG HIS A 34 -7.037 -13.885 -9.170 1.00 0.00 C ATOM 469 ND1 HIS A 34 -8.164 -13.081 -9.184 1.00 0.00 N ATOM 470 CD2 HIS A 34 -5.966 -13.045 -9.072 1.00 0.00 C ATOM 471 CE1 HIS A 34 -7.777 -11.817 -9.098 1.00 0.00 C ATOM 472 NE2 HIS A 34 -6.414 -11.797 -9.030 1.00 0.00 N ATOM 0 H HIS A 34 -8.465 -14.303 -7.133 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.164 -16.993 -8.374 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.098 -15.784 -9.389 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.679 -15.670 -10.137 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -9.128 -13.407 -9.249 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.929 -13.345 -9.035 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.426 -10.954 -9.084 1.00 0.00 H new ATOM 480 N CYS A 35 -6.125 -15.338 -6.381 1.00 0.00 N ATOM 481 CA CYS A 35 -5.130 -15.505 -5.335 1.00 0.00 C ATOM 482 C CYS A 35 -5.804 -15.250 -3.985 1.00 0.00 C ATOM 483 O CYS A 35 -6.245 -14.135 -3.708 1.00 0.00 O ATOM 484 CB CYS A 35 -3.923 -14.590 -5.552 1.00 0.00 C ATOM 485 SG CYS A 35 -2.651 -14.673 -4.239 1.00 0.00 S ATOM 0 H CYS A 35 -6.321 -14.369 -6.633 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.741 -16.523 -5.359 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.459 -14.844 -6.505 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.275 -13.561 -5.633 1.00 0.00 H new ATOM 490 N ALA A 36 -5.862 -16.301 -3.181 1.00 0.00 N ATOM 491 CA ALA A 36 -6.475 -16.205 -1.867 1.00 0.00 C ATOM 492 C ALA A 36 -5.400 -15.870 -0.831 1.00 0.00 C ATOM 493 O ALA A 36 -5.556 -16.172 0.351 1.00 0.00 O ATOM 494 CB ALA A 36 -7.205 -17.511 -1.548 1.00 0.00 C ATOM 0 H ALA A 36 -5.495 -17.224 -3.414 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.214 -15.404 -1.846 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.665 -17.439 -0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.977 -17.689 -2.297 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.494 -18.337 -1.557 1.00 0.00 H new ATOM 500 N GLN A 37 -4.332 -15.250 -1.313 1.00 0.00 N ATOM 501 CA GLN A 37 -3.231 -14.871 -0.444 1.00 0.00 C ATOM 502 C GLN A 37 -2.759 -13.454 -0.773 1.00 0.00 C ATOM 503 O GLN A 37 -2.900 -12.996 -1.906 1.00 0.00 O ATOM 504 CB GLN A 37 -2.079 -15.872 -0.550 1.00 0.00 C ATOM 505 CG GLN A 37 -2.605 -17.302 -0.686 1.00 0.00 C ATOM 506 CD GLN A 37 -2.626 -17.741 -2.151 1.00 0.00 C ATOM 507 OE1 GLN A 37 -3.823 -18.129 -2.583 1.00 0.00 O flip ATOM 508 NE2 GLN A 37 -1.622 -17.729 -2.844 1.00 0.00 N flip ATOM 0 H GLN A 37 -4.206 -15.001 -2.294 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.586 -14.884 0.587 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.457 -15.626 -1.411 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.445 -15.797 0.333 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.978 -17.981 -0.108 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.610 -17.365 -0.269 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.734 -17.419 -2.450 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.671 -18.029 -3.818 1.00 0.00 H new ATOM 517 N THR A 38 -2.209 -12.798 0.238 1.00 0.00 N ATOM 518 CA THR A 38 -1.715 -11.441 0.070 1.00 0.00 C ATOM 519 C THR A 38 -0.404 -11.445 -0.718 1.00 0.00 C ATOM 520 O THR A 38 0.237 -12.485 -0.859 1.00 0.00 O ATOM 521 CB THR A 38 -1.588 -10.809 1.458 1.00 0.00 C ATOM 522 OG1 THR A 38 -2.846 -11.068 2.074 1.00 0.00 O ATOM 523 CG2 THR A 38 -1.507 -9.282 1.401 1.00 0.00 C ATOM 0 H THR A 38 -2.094 -13.180 1.177 1.00 0.00 H new ATOM 0 HA THR A 38 -2.408 -10.837 -0.516 1.00 0.00 H new ATOM 0 HB THR A 38 -0.701 -11.201 1.955 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.850 -10.693 2.980 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.418 -8.884 2.412 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.636 -8.985 0.816 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.409 -8.887 0.934 1.00 0.00 H new ATOM 531 N GLU A 39 -0.044 -10.269 -1.211 1.00 0.00 N ATOM 532 CA GLU A 39 1.179 -10.124 -1.982 1.00 0.00 C ATOM 533 C GLU A 39 1.659 -8.671 -1.947 1.00 0.00 C ATOM 534 O GLU A 39 1.480 -7.931 -2.913 1.00 0.00 O ATOM 535 CB GLU A 39 0.980 -10.600 -3.422 1.00 0.00 C ATOM 536 CG GLU A 39 -0.481 -10.450 -3.852 1.00 0.00 C ATOM 537 CD GLU A 39 -0.586 -10.200 -5.358 1.00 0.00 C ATOM 538 OE1 GLU A 39 0.287 -9.470 -5.875 1.00 0.00 O ATOM 539 OE2 GLU A 39 -1.537 -10.746 -5.959 1.00 0.00 O ATOM 0 H GLU A 39 -0.578 -9.408 -1.092 1.00 0.00 H new ATOM 0 HA GLU A 39 1.947 -10.752 -1.530 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.621 -10.025 -4.091 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.283 -11.643 -3.509 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.035 -11.351 -3.590 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.941 -9.624 -3.310 1.00 0.00 H new ATOM 546 N VAL A 40 2.259 -8.307 -0.823 1.00 0.00 N ATOM 547 CA VAL A 40 2.766 -6.956 -0.649 1.00 0.00 C ATOM 548 C VAL A 40 3.985 -6.754 -1.552 1.00 0.00 C ATOM 549 O VAL A 40 4.885 -7.591 -1.582 1.00 0.00 O ATOM 550 CB VAL A 40 3.067 -6.696 0.828 1.00 0.00 C ATOM 551 CG1 VAL A 40 3.487 -5.243 1.055 1.00 0.00 C ATOM 552 CG2 VAL A 40 1.867 -7.063 1.704 1.00 0.00 C ATOM 0 H VAL A 40 2.405 -8.924 -0.024 1.00 0.00 H new ATOM 0 HA VAL A 40 2.015 -6.225 -0.947 1.00 0.00 H new ATOM 0 HB VAL A 40 3.902 -7.334 1.117 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.695 -5.085 2.113 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.383 -5.028 0.473 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.682 -4.578 0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.107 -6.869 2.749 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.006 -6.462 1.412 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.633 -8.120 1.576 1.00 0.00 H new ATOM 562 N ILE A 41 3.975 -5.637 -2.264 1.00 0.00 N ATOM 563 CA ILE A 41 5.068 -5.314 -3.165 1.00 0.00 C ATOM 564 C ILE A 41 5.550 -3.889 -2.884 1.00 0.00 C ATOM 565 O ILE A 41 4.791 -2.933 -3.033 1.00 0.00 O ATOM 566 CB ILE A 41 4.652 -5.547 -4.619 1.00 0.00 C ATOM 567 CG1 ILE A 41 3.927 -6.886 -4.773 1.00 0.00 C ATOM 568 CG2 ILE A 41 5.854 -5.435 -5.558 1.00 0.00 C ATOM 569 CD1 ILE A 41 2.428 -6.675 -4.993 1.00 0.00 C ATOM 0 H ILE A 41 3.227 -4.944 -2.235 1.00 0.00 H new ATOM 0 HA ILE A 41 5.914 -5.978 -2.990 1.00 0.00 H new ATOM 0 HB ILE A 41 3.948 -4.765 -4.903 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.348 -7.437 -5.614 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.086 -7.494 -3.882 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.531 -5.605 -6.585 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.289 -4.439 -5.475 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.600 -6.181 -5.285 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.936 -7.642 -5.099 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.006 -6.145 -4.139 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.272 -6.087 -5.898 1.00 0.00 H new ATOM 581 N ALA A 42 6.810 -3.792 -2.484 1.00 0.00 N ATOM 582 CA ALA A 42 7.402 -2.500 -2.182 1.00 0.00 C ATOM 583 C ALA A 42 8.357 -2.105 -3.309 1.00 0.00 C ATOM 584 O ALA A 42 9.156 -2.922 -3.766 1.00 0.00 O ATOM 585 CB ALA A 42 8.100 -2.564 -0.822 1.00 0.00 C ATOM 0 H ALA A 42 7.437 -4.587 -2.362 1.00 0.00 H new ATOM 0 HA ALA A 42 6.632 -1.731 -2.118 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.544 -1.595 -0.595 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.373 -2.819 -0.051 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.881 -3.324 -0.849 1.00 0.00 H new ATOM 591 N THR A 43 8.243 -0.853 -3.727 1.00 0.00 N ATOM 592 CA THR A 43 9.087 -0.340 -4.792 1.00 0.00 C ATOM 593 C THR A 43 10.437 0.114 -4.232 1.00 0.00 C ATOM 594 O THR A 43 10.500 0.697 -3.151 1.00 0.00 O ATOM 595 CB THR A 43 8.320 0.774 -5.508 1.00 0.00 C ATOM 596 OG1 THR A 43 7.280 0.090 -6.201 1.00 0.00 O ATOM 597 CG2 THR A 43 9.141 1.429 -6.621 1.00 0.00 C ATOM 0 H THR A 43 7.579 -0.179 -3.347 1.00 0.00 H new ATOM 0 HA THR A 43 9.318 -1.116 -5.522 1.00 0.00 H new ATOM 0 HB THR A 43 8.021 1.532 -4.784 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.732 0.738 -6.691 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.550 2.212 -7.096 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.046 1.864 -6.198 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.412 0.678 -7.363 1.00 0.00 H new ATOM 605 N LEU A 44 11.483 -0.169 -4.994 1.00 0.00 N ATOM 606 CA LEU A 44 12.827 0.203 -4.588 1.00 0.00 C ATOM 607 C LEU A 44 13.144 1.606 -5.111 1.00 0.00 C ATOM 608 O LEU A 44 12.629 2.015 -6.150 1.00 0.00 O ATOM 609 CB LEU A 44 13.835 -0.860 -5.030 1.00 0.00 C ATOM 610 CG LEU A 44 14.830 -1.326 -3.966 1.00 0.00 C ATOM 611 CD1 LEU A 44 15.459 -2.666 -4.352 1.00 0.00 C ATOM 612 CD2 LEU A 44 15.887 -0.253 -3.697 1.00 0.00 C ATOM 0 H LEU A 44 11.427 -0.652 -5.891 1.00 0.00 H new ATOM 0 HA LEU A 44 12.898 0.244 -3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 44 13.283 -1.729 -5.388 1.00 0.00 H new ATOM 0 HB3 LEU A 44 14.397 -0.469 -5.878 1.00 0.00 H new ATOM 0 HG LEU A 44 14.286 -1.483 -3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 44 16.162 -2.974 -3.578 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.678 -3.419 -4.453 1.00 0.00 H new ATOM 0 HD13 LEU A 44 15.986 -2.561 -5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 44 16.582 -0.609 -2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 44 16.432 -0.041 -4.617 1.00 0.00 H new ATOM 0 HD23 LEU A 44 15.401 0.657 -3.346 1.00 0.00 H new ATOM 624 N LYS A 45 13.989 2.304 -4.366 1.00 0.00 N ATOM 625 CA LYS A 45 14.380 3.652 -4.742 1.00 0.00 C ATOM 626 C LYS A 45 15.341 3.587 -5.930 1.00 0.00 C ATOM 627 O LYS A 45 15.734 4.618 -6.473 1.00 0.00 O ATOM 628 CB LYS A 45 14.945 4.402 -3.534 1.00 0.00 C ATOM 629 CG LYS A 45 15.908 5.506 -3.976 1.00 0.00 C ATOM 630 CD LYS A 45 15.177 6.579 -4.785 1.00 0.00 C ATOM 631 CE LYS A 45 14.976 7.849 -3.957 1.00 0.00 C ATOM 632 NZ LYS A 45 16.153 8.738 -4.078 1.00 0.00 N ATOM 0 H LYS A 45 14.414 1.961 -3.504 1.00 0.00 H new ATOM 0 HA LYS A 45 13.511 4.225 -5.066 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.129 4.836 -2.957 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.464 3.703 -2.878 1.00 0.00 H new ATOM 0 HG2 LYS A 45 16.374 5.959 -3.101 1.00 0.00 H new ATOM 0 HG3 LYS A 45 16.709 5.076 -4.576 1.00 0.00 H new ATOM 0 HD2 LYS A 45 15.747 6.813 -5.684 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.210 6.197 -5.112 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.081 8.372 -4.294 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.817 7.587 -2.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.186 9.384 -3.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 17.020 8.165 -4.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.081 9.291 -4.956 1.00 0.00 H new ATOM 646 N ASN A 46 15.692 2.364 -6.301 1.00 0.00 N ATOM 647 CA ASN A 46 16.599 2.151 -7.415 1.00 0.00 C ATOM 648 C ASN A 46 15.792 1.781 -8.661 1.00 0.00 C ATOM 649 O ASN A 46 16.341 1.696 -9.758 1.00 0.00 O ATOM 650 CB ASN A 46 17.570 1.005 -7.124 1.00 0.00 C ATOM 651 CG ASN A 46 17.801 0.151 -8.372 1.00 0.00 C ATOM 652 OD1 ASN A 46 17.336 -1.091 -8.271 1.00 0.00 O flip ATOM 653 ND2 ASN A 46 18.363 0.591 -9.361 1.00 0.00 N flip ATOM 0 H ASN A 46 15.364 1.510 -5.849 1.00 0.00 H new ATOM 0 HA ASN A 46 17.163 3.071 -7.571 1.00 0.00 H new ATOM 0 HB2 ASN A 46 18.520 1.409 -6.774 1.00 0.00 H new ATOM 0 HB3 ASN A 46 17.174 0.383 -6.322 1.00 0.00 H new ATOM 0 HD21 ASN A 46 18.696 1.555 -9.372 1.00 0.00 H new ATOM 0 HD22 ASN A 46 18.500 -0.005 -10.177 1.00 0.00 H new ATOM 660 N GLY A 47 14.501 1.572 -8.450 1.00 0.00 N ATOM 661 CA GLY A 47 13.612 1.213 -9.542 1.00 0.00 C ATOM 662 C GLY A 47 13.173 -0.248 -9.435 1.00 0.00 C ATOM 663 O GLY A 47 12.272 -0.684 -10.151 1.00 0.00 O ATOM 0 H GLY A 47 14.049 1.644 -7.539 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.736 1.861 -9.530 1.00 0.00 H new ATOM 0 HA3 GLY A 47 14.116 1.376 -10.495 1.00 0.00 H new ATOM 667 N GLN A 48 13.829 -0.965 -8.535 1.00 0.00 N ATOM 668 CA GLN A 48 13.517 -2.369 -8.324 1.00 0.00 C ATOM 669 C GLN A 48 12.295 -2.510 -7.414 1.00 0.00 C ATOM 670 O GLN A 48 11.646 -1.520 -7.082 1.00 0.00 O ATOM 671 CB GLN A 48 14.720 -3.117 -7.746 1.00 0.00 C ATOM 672 CG GLN A 48 15.615 -3.661 -8.862 1.00 0.00 C ATOM 673 CD GLN A 48 16.851 -4.353 -8.285 1.00 0.00 C ATOM 674 OE1 GLN A 48 16.688 -5.654 -8.061 1.00 0.00 O flip ATOM 675 NE2 GLN A 48 17.885 -3.746 -8.059 1.00 0.00 N flip ATOM 0 H GLN A 48 14.575 -0.600 -7.943 1.00 0.00 H new ATOM 0 HA GLN A 48 13.281 -2.818 -9.289 1.00 0.00 H new ATOM 0 HB2 GLN A 48 15.296 -2.448 -7.107 1.00 0.00 H new ATOM 0 HB3 GLN A 48 14.375 -3.939 -7.119 1.00 0.00 H new ATOM 0 HG2 GLN A 48 15.052 -4.366 -9.474 1.00 0.00 H new ATOM 0 HG3 GLN A 48 15.923 -2.845 -9.516 1.00 0.00 H new ATOM 0 HE21 GLN A 48 17.943 -2.747 -8.254 1.00 0.00 H new ATOM 0 HE22 GLN A 48 18.692 -4.238 -7.675 1.00 0.00 H new ATOM 684 N LYS A 49 12.018 -3.750 -7.037 1.00 0.00 N ATOM 685 CA LYS A 49 10.886 -4.034 -6.172 1.00 0.00 C ATOM 686 C LYS A 49 11.238 -5.197 -5.243 1.00 0.00 C ATOM 687 O LYS A 49 11.948 -6.120 -5.640 1.00 0.00 O ATOM 688 CB LYS A 49 9.623 -4.270 -7.003 1.00 0.00 C ATOM 689 CG LYS A 49 9.355 -3.092 -7.940 1.00 0.00 C ATOM 690 CD LYS A 49 7.939 -3.161 -8.517 1.00 0.00 C ATOM 691 CE LYS A 49 7.900 -2.604 -9.942 1.00 0.00 C ATOM 692 NZ LYS A 49 6.662 -3.031 -10.631 1.00 0.00 N ATOM 0 H LYS A 49 12.558 -4.569 -7.315 1.00 0.00 H new ATOM 0 HA LYS A 49 10.666 -3.175 -5.538 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.732 -5.185 -7.585 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.769 -4.414 -6.341 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.486 -2.155 -7.399 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.083 -3.095 -8.751 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.592 -4.194 -8.517 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.256 -2.596 -7.883 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.951 -1.516 -9.915 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.771 -2.950 -10.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.651 -2.645 -11.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.629 -4.070 -10.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.835 -2.679 -10.108 1.00 0.00 H new ATOM 706 N ALA A 50 10.725 -5.116 -4.024 1.00 0.00 N ATOM 707 CA ALA A 50 10.977 -6.151 -3.036 1.00 0.00 C ATOM 708 C ALA A 50 9.655 -6.557 -2.381 1.00 0.00 C ATOM 709 O ALA A 50 9.065 -5.780 -1.632 1.00 0.00 O ATOM 710 CB ALA A 50 12.001 -5.647 -2.017 1.00 0.00 C ATOM 0 H ALA A 50 10.136 -4.350 -3.698 1.00 0.00 H new ATOM 0 HA ALA A 50 11.398 -7.038 -3.509 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.190 -6.424 -1.276 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.931 -5.399 -2.528 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.612 -4.758 -1.520 1.00 0.00 H new ATOM 716 N CYS A 51 9.229 -7.773 -2.687 1.00 0.00 N ATOM 717 CA CYS A 51 7.987 -8.292 -2.137 1.00 0.00 C ATOM 718 C CYS A 51 8.209 -8.596 -0.654 1.00 0.00 C ATOM 719 O CYS A 51 9.265 -9.095 -0.270 1.00 0.00 O ATOM 720 CB CYS A 51 7.499 -9.521 -2.906 1.00 0.00 C ATOM 721 SG CYS A 51 6.069 -9.220 -4.007 1.00 0.00 S ATOM 0 H CYS A 51 9.721 -8.415 -3.309 1.00 0.00 H new ATOM 0 HA CYS A 51 7.200 -7.545 -2.239 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.324 -9.909 -3.503 1.00 0.00 H new ATOM 0 HB3 CYS A 51 7.231 -10.297 -2.190 1.00 0.00 H new ATOM 726 N LEU A 52 7.195 -8.282 0.139 1.00 0.00 N ATOM 727 CA LEU A 52 7.265 -8.515 1.571 1.00 0.00 C ATOM 728 C LEU A 52 6.381 -9.711 1.933 1.00 0.00 C ATOM 729 O LEU A 52 5.565 -10.151 1.125 1.00 0.00 O ATOM 730 CB LEU A 52 6.918 -7.239 2.340 1.00 0.00 C ATOM 731 CG LEU A 52 7.840 -6.041 2.102 1.00 0.00 C ATOM 732 CD1 LEU A 52 7.189 -4.744 2.585 1.00 0.00 C ATOM 733 CD2 LEU A 52 9.210 -6.268 2.744 1.00 0.00 C ATOM 0 H LEU A 52 6.320 -7.868 -0.183 1.00 0.00 H new ATOM 0 HA LEU A 52 8.283 -8.770 1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.901 -6.947 2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.921 -7.468 3.406 1.00 0.00 H new ATOM 0 HG LEU A 52 8.000 -5.941 1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.865 -3.908 2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.257 -4.581 2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.980 -4.817 3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.846 -5.402 2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.090 -6.408 3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.672 -7.156 2.312 1.00 0.00 H new ATOM 745 N ASN A 53 6.573 -10.202 3.148 1.00 0.00 N ATOM 746 CA ASN A 53 5.803 -11.337 3.627 1.00 0.00 C ATOM 747 C ASN A 53 4.613 -10.833 4.445 1.00 0.00 C ATOM 748 O ASN A 53 4.787 -10.310 5.544 1.00 0.00 O ATOM 749 CB ASN A 53 6.651 -12.236 4.530 1.00 0.00 C ATOM 750 CG ASN A 53 6.096 -13.661 4.562 1.00 0.00 C ATOM 751 OD1 ASN A 53 5.705 -14.225 3.553 1.00 0.00 O ATOM 752 ND2 ASN A 53 6.083 -14.210 5.773 1.00 0.00 N ATOM 0 H ASN A 53 7.251 -9.834 3.816 1.00 0.00 H new ATOM 0 HA ASN A 53 5.469 -11.908 2.760 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.680 -12.251 4.171 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.671 -11.827 5.540 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.731 -15.159 5.899 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.425 -13.682 6.576 1.00 0.00 H new ATOM 759 N PRO A 54 3.397 -11.012 3.861 1.00 0.00 N ATOM 760 CA PRO A 54 2.178 -10.581 4.524 1.00 0.00 C ATOM 761 C PRO A 54 1.809 -11.531 5.665 1.00 0.00 C ATOM 762 O PRO A 54 0.655 -11.935 5.792 1.00 0.00 O ATOM 763 CB PRO A 54 1.129 -10.536 3.426 1.00 0.00 C ATOM 764 CG PRO A 54 1.677 -11.384 2.290 1.00 0.00 C ATOM 765 CD PRO A 54 3.153 -11.628 2.560 1.00 0.00 C ATOM 0 HA PRO A 54 2.280 -9.606 5.000 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.176 -10.928 3.781 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.951 -9.512 3.098 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.139 -12.330 2.226 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.543 -10.876 1.335 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.382 -12.694 2.577 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.777 -11.180 1.786 1.00 0.00 H new ATOM 773 N ALA A 55 2.812 -11.859 6.467 1.00 0.00 N ATOM 774 CA ALA A 55 2.607 -12.754 7.593 1.00 0.00 C ATOM 775 C ALA A 55 3.770 -12.604 8.576 1.00 0.00 C ATOM 776 O ALA A 55 4.098 -13.541 9.302 1.00 0.00 O ATOM 777 CB ALA A 55 2.455 -14.189 7.085 1.00 0.00 C ATOM 0 H ALA A 55 3.768 -11.521 6.359 1.00 0.00 H new ATOM 0 HA ALA A 55 1.690 -12.498 8.124 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.301 -14.860 7.930 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.598 -14.249 6.414 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.357 -14.482 6.548 1.00 0.00 H new ATOM 783 N SER A 56 4.362 -11.418 8.567 1.00 0.00 N ATOM 784 CA SER A 56 5.481 -11.134 9.448 1.00 0.00 C ATOM 785 C SER A 56 5.209 -9.857 10.245 1.00 0.00 C ATOM 786 O SER A 56 4.564 -8.936 9.746 1.00 0.00 O ATOM 787 CB SER A 56 6.784 -10.999 8.657 1.00 0.00 C ATOM 788 OG SER A 56 7.868 -10.578 9.482 1.00 0.00 O ATOM 0 H SER A 56 4.087 -10.643 7.963 1.00 0.00 H new ATOM 0 HA SER A 56 5.592 -11.969 10.140 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.029 -11.956 8.196 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.644 -10.282 7.848 1.00 0.00 H new ATOM 0 HG SER A 56 8.603 -10.259 8.918 1.00 0.00 H new ATOM 794 N PRO A 57 5.727 -9.841 11.502 1.00 0.00 N ATOM 795 CA PRO A 57 5.547 -8.692 12.372 1.00 0.00 C ATOM 796 C PRO A 57 6.452 -7.535 11.948 1.00 0.00 C ATOM 797 O PRO A 57 6.429 -6.467 12.558 1.00 0.00 O ATOM 798 CB PRO A 57 5.854 -9.205 13.770 1.00 0.00 C ATOM 799 CG PRO A 57 6.642 -10.491 13.578 1.00 0.00 C ATOM 800 CD PRO A 57 6.497 -10.914 12.126 1.00 0.00 C ATOM 0 HA PRO A 57 4.538 -8.283 12.325 1.00 0.00 H new ATOM 0 HB2 PRO A 57 6.431 -8.474 14.336 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.936 -9.389 14.329 1.00 0.00 H new ATOM 0 HG2 PRO A 57 7.692 -10.336 13.827 1.00 0.00 H new ATOM 0 HG3 PRO A 57 6.268 -11.271 14.242 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.470 -11.032 11.649 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.982 -11.871 12.042 1.00 0.00 H new ATOM 808 N MET A 58 7.230 -7.786 10.904 1.00 0.00 N ATOM 809 CA MET A 58 8.142 -6.778 10.391 1.00 0.00 C ATOM 810 C MET A 58 7.549 -6.074 9.168 1.00 0.00 C ATOM 811 O MET A 58 7.955 -4.964 8.829 1.00 0.00 O ATOM 812 CB MET A 58 9.468 -7.437 10.008 1.00 0.00 C ATOM 813 CG MET A 58 10.650 -6.519 10.330 1.00 0.00 C ATOM 814 SD MET A 58 11.706 -7.288 11.546 1.00 0.00 S ATOM 815 CE MET A 58 10.533 -7.527 12.870 1.00 0.00 C ATOM 0 H MET A 58 7.247 -8.673 10.400 1.00 0.00 H new ATOM 0 HA MET A 58 8.308 -6.034 11.170 1.00 0.00 H new ATOM 0 HB2 MET A 58 9.578 -8.379 10.545 1.00 0.00 H new ATOM 0 HB3 MET A 58 9.466 -7.674 8.944 1.00 0.00 H new ATOM 0 HG2 MET A 58 11.217 -6.311 9.423 1.00 0.00 H new ATOM 0 HG3 MET A 58 10.287 -5.562 10.705 1.00 0.00 H new ATOM 0 HE1 MET A 58 11.042 -7.428 13.829 1.00 0.00 H new ATOM 0 HE2 MET A 58 9.745 -6.777 12.798 1.00 0.00 H new ATOM 0 HE3 MET A 58 10.095 -8.522 12.792 1.00 0.00 H new ATOM 825 N VAL A 59 6.598 -6.750 8.540 1.00 0.00 N ATOM 826 CA VAL A 59 5.946 -6.204 7.362 1.00 0.00 C ATOM 827 C VAL A 59 5.000 -5.078 7.784 1.00 0.00 C ATOM 828 O VAL A 59 4.668 -4.208 6.981 1.00 0.00 O ATOM 829 CB VAL A 59 5.240 -7.320 6.589 1.00 0.00 C ATOM 830 CG1 VAL A 59 4.065 -6.768 5.780 1.00 0.00 C ATOM 831 CG2 VAL A 59 6.223 -8.069 5.688 1.00 0.00 C ATOM 0 H VAL A 59 6.264 -7.671 8.825 1.00 0.00 H new ATOM 0 HA VAL A 59 6.682 -5.773 6.683 1.00 0.00 H new ATOM 0 HB VAL A 59 4.843 -8.030 7.314 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.581 -7.582 5.240 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.347 -6.301 6.454 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.429 -6.027 5.069 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.696 -8.857 5.150 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.664 -7.374 4.973 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.011 -8.511 6.298 1.00 0.00 H new ATOM 841 N LYS A 60 4.593 -5.132 9.044 1.00 0.00 N ATOM 842 CA LYS A 60 3.691 -4.127 9.582 1.00 0.00 C ATOM 843 C LYS A 60 4.509 -3.028 10.265 1.00 0.00 C ATOM 844 O LYS A 60 3.946 -2.103 10.849 1.00 0.00 O ATOM 845 CB LYS A 60 2.650 -4.777 10.496 1.00 0.00 C ATOM 846 CG LYS A 60 1.870 -5.863 9.753 1.00 0.00 C ATOM 847 CD LYS A 60 2.693 -7.147 9.637 1.00 0.00 C ATOM 848 CE LYS A 60 1.792 -8.383 9.687 1.00 0.00 C ATOM 849 NZ LYS A 60 0.907 -8.428 8.502 1.00 0.00 N ATOM 0 H LYS A 60 4.871 -5.855 9.707 1.00 0.00 H new ATOM 0 HA LYS A 60 3.126 -3.653 8.780 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.144 -5.210 11.366 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.961 -4.018 10.866 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.938 -6.070 10.279 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.602 -5.507 8.758 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.255 -7.140 8.703 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.421 -7.191 10.447 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.403 -9.285 9.726 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.191 -8.366 10.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.376 -9.322 8.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.241 -7.630 8.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.481 -8.364 7.637 1.00 0.00 H new ATOM 863 N LYS A 61 5.823 -3.166 10.169 1.00 0.00 N ATOM 864 CA LYS A 61 6.723 -2.197 10.770 1.00 0.00 C ATOM 865 C LYS A 61 7.531 -1.507 9.669 1.00 0.00 C ATOM 866 O LYS A 61 8.132 -0.459 9.899 1.00 0.00 O ATOM 867 CB LYS A 61 7.588 -2.862 11.843 1.00 0.00 C ATOM 868 CG LYS A 61 6.742 -3.276 13.049 1.00 0.00 C ATOM 869 CD LYS A 61 7.337 -2.730 14.349 1.00 0.00 C ATOM 870 CE LYS A 61 6.585 -3.273 15.566 1.00 0.00 C ATOM 871 NZ LYS A 61 7.511 -3.463 16.704 1.00 0.00 N ATOM 0 H LYS A 61 6.286 -3.935 9.684 1.00 0.00 H new ATOM 0 HA LYS A 61 6.158 -1.421 11.286 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.084 -3.738 11.424 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.371 -2.174 12.162 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.724 -2.907 12.928 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.683 -4.363 13.100 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.390 -3.005 14.415 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.291 -1.641 14.345 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.790 -2.583 15.848 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.110 -4.221 15.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.985 -3.832 17.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.255 -4.139 16.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.945 -2.552 16.954 1.00 0.00 H new ATOM 885 N ILE A 62 7.520 -2.123 8.496 1.00 0.00 N ATOM 886 CA ILE A 62 8.244 -1.582 7.359 1.00 0.00 C ATOM 887 C ILE A 62 7.298 -0.721 6.520 1.00 0.00 C ATOM 888 O ILE A 62 7.743 0.063 5.683 1.00 0.00 O ATOM 889 CB ILE A 62 8.917 -2.705 6.568 1.00 0.00 C ATOM 890 CG1 ILE A 62 9.848 -3.525 7.464 1.00 0.00 C ATOM 891 CG2 ILE A 62 9.644 -2.153 5.340 1.00 0.00 C ATOM 892 CD1 ILE A 62 9.890 -4.988 7.019 1.00 0.00 C ATOM 0 H ILE A 62 7.021 -2.992 8.309 1.00 0.00 H new ATOM 0 HA ILE A 62 9.052 -0.933 7.697 1.00 0.00 H new ATOM 0 HB ILE A 62 8.141 -3.379 6.206 1.00 0.00 H new ATOM 0 HG12 ILE A 62 10.853 -3.103 7.433 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.509 -3.465 8.498 1.00 0.00 H new ATOM 0 HG21 ILE A 62 10.113 -2.973 4.796 1.00 0.00 H new ATOM 0 HG22 ILE A 62 8.929 -1.649 4.690 1.00 0.00 H new ATOM 0 HG23 ILE A 62 10.408 -1.444 5.658 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.559 -5.548 7.673 1.00 0.00 H new ATOM 0 HD12 ILE A 62 8.888 -5.414 7.074 1.00 0.00 H new ATOM 0 HD13 ILE A 62 10.253 -5.046 5.993 1.00 0.00 H new ATOM 904 N ILE A 63 6.009 -0.896 6.773 1.00 0.00 N ATOM 905 CA ILE A 63 4.996 -0.144 6.051 1.00 0.00 C ATOM 906 C ILE A 63 4.625 1.104 6.854 1.00 0.00 C ATOM 907 O ILE A 63 4.713 2.221 6.347 1.00 0.00 O ATOM 908 CB ILE A 63 3.801 -1.040 5.719 1.00 0.00 C ATOM 909 CG1 ILE A 63 4.131 -1.989 4.565 1.00 0.00 C ATOM 910 CG2 ILE A 63 2.552 -0.203 5.433 1.00 0.00 C ATOM 911 CD1 ILE A 63 3.322 -3.283 4.671 1.00 0.00 C ATOM 0 H ILE A 63 5.643 -1.547 7.467 1.00 0.00 H new ATOM 0 HA ILE A 63 5.385 0.198 5.092 1.00 0.00 H new ATOM 0 HB ILE A 63 3.584 -1.657 6.591 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.918 -1.500 3.615 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.196 -2.220 4.573 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.717 -0.864 5.200 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.307 0.396 6.310 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.742 0.455 4.585 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.575 -3.940 3.839 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.556 -3.782 5.611 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.258 -3.050 4.638 1.00 0.00 H new ATOM 923 N GLU A 64 4.218 0.872 8.093 1.00 0.00 N ATOM 924 CA GLU A 64 3.833 1.965 8.971 1.00 0.00 C ATOM 925 C GLU A 64 4.928 3.032 9.002 1.00 0.00 C ATOM 926 O GLU A 64 4.637 4.223 9.105 1.00 0.00 O ATOM 927 CB GLU A 64 3.526 1.453 10.380 1.00 0.00 C ATOM 928 CG GLU A 64 2.271 0.579 10.385 1.00 0.00 C ATOM 929 CD GLU A 64 2.230 -0.315 11.626 1.00 0.00 C ATOM 930 OE1 GLU A 64 3.076 -0.087 12.518 1.00 0.00 O ATOM 931 OE2 GLU A 64 1.354 -1.206 11.655 1.00 0.00 O ATOM 0 H GLU A 64 4.146 -0.056 8.510 1.00 0.00 H new ATOM 0 HA GLU A 64 2.923 2.418 8.578 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.374 0.880 10.755 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.388 2.297 11.055 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.383 1.211 10.358 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.250 -0.038 9.487 1.00 0.00 H new ATOM 938 N LYS A 65 6.166 2.568 8.909 1.00 0.00 N ATOM 939 CA LYS A 65 7.306 3.468 8.925 1.00 0.00 C ATOM 940 C LYS A 65 7.430 4.151 7.561 1.00 0.00 C ATOM 941 O LYS A 65 7.829 5.312 7.478 1.00 0.00 O ATOM 942 CB LYS A 65 8.571 2.724 9.357 1.00 0.00 C ATOM 943 CG LYS A 65 9.593 2.673 8.220 1.00 0.00 C ATOM 944 CD LYS A 65 10.917 2.074 8.699 1.00 0.00 C ATOM 945 CE LYS A 65 10.676 0.907 9.658 1.00 0.00 C ATOM 946 NZ LYS A 65 11.963 0.366 10.150 1.00 0.00 N ATOM 0 H LYS A 65 6.404 1.580 8.822 1.00 0.00 H new ATOM 0 HA LYS A 65 7.159 4.255 9.665 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.010 3.219 10.223 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.314 1.711 9.665 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.197 2.078 7.397 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.763 3.678 7.834 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.496 1.731 7.842 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.509 2.842 9.197 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.069 1.240 10.500 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.115 0.122 9.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.781 -0.425 10.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.529 0.030 9.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.484 1.113 10.652 1.00 0.00 H new ATOM 960 N MET A 66 7.081 3.401 6.526 1.00 0.00 N ATOM 961 CA MET A 66 7.148 3.920 5.170 1.00 0.00 C ATOM 962 C MET A 66 6.267 5.160 5.013 1.00 0.00 C ATOM 963 O MET A 66 6.622 6.091 4.291 1.00 0.00 O ATOM 964 CB MET A 66 6.691 2.840 4.187 1.00 0.00 C ATOM 965 CG MET A 66 7.840 2.406 3.275 1.00 0.00 C ATOM 966 SD MET A 66 8.164 3.670 2.058 1.00 0.00 S ATOM 967 CE MET A 66 6.522 3.890 1.395 1.00 0.00 C ATOM 0 H MET A 66 6.751 2.439 6.599 1.00 0.00 H new ATOM 0 HA MET A 66 8.180 4.202 4.960 1.00 0.00 H new ATOM 0 HB2 MET A 66 6.314 1.978 4.738 1.00 0.00 H new ATOM 0 HB3 MET A 66 5.866 3.218 3.583 1.00 0.00 H new ATOM 0 HG2 MET A 66 8.736 2.222 3.868 1.00 0.00 H new ATOM 0 HG3 MET A 66 7.588 1.469 2.779 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.589 4.193 0.350 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.972 2.952 1.466 1.00 0.00 H new ATOM 0 HE3 MET A 66 6.000 4.660 1.963 1.00 0.00 H new ATOM 977 N LEU A 67 5.134 5.133 5.700 1.00 0.00 N ATOM 978 CA LEU A 67 4.199 6.244 5.646 1.00 0.00 C ATOM 979 C LEU A 67 4.803 7.449 6.371 1.00 0.00 C ATOM 980 O LEU A 67 4.326 8.572 6.219 1.00 0.00 O ATOM 981 CB LEU A 67 2.833 5.821 6.188 1.00 0.00 C ATOM 982 CG LEU A 67 1.958 5.003 5.236 1.00 0.00 C ATOM 983 CD1 LEU A 67 2.698 3.757 4.745 1.00 0.00 C ATOM 984 CD2 LEU A 67 0.618 4.654 5.887 1.00 0.00 C ATOM 0 H LEU A 67 4.843 4.359 6.297 1.00 0.00 H new ATOM 0 HA LEU A 67 4.026 6.547 4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.989 5.239 7.097 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.284 6.718 6.474 1.00 0.00 H new ATOM 0 HG LEU A 67 1.741 5.615 4.360 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.054 3.194 4.070 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.604 4.056 4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.965 3.133 5.598 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.015 4.073 5.189 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.794 4.069 6.790 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.089 5.571 6.146 1.00 0.00 H new ATOM 996 N LYS A 68 5.842 7.173 7.145 1.00 0.00 N ATOM 997 CA LYS A 68 6.516 8.220 7.895 1.00 0.00 C ATOM 998 C LYS A 68 7.837 8.566 7.205 1.00 0.00 C ATOM 999 O LYS A 68 8.291 9.707 7.262 1.00 0.00 O ATOM 1000 CB LYS A 68 6.675 7.812 9.361 1.00 0.00 C ATOM 1001 CG LYS A 68 7.735 8.669 10.056 1.00 0.00 C ATOM 1002 CD LYS A 68 7.233 9.168 11.413 1.00 0.00 C ATOM 1003 CE LYS A 68 7.576 8.173 12.524 1.00 0.00 C ATOM 1004 NZ LYS A 68 7.816 8.883 13.800 1.00 0.00 N ATOM 0 H LYS A 68 6.234 6.240 7.269 1.00 0.00 H new ATOM 0 HA LYS A 68 5.914 9.129 7.905 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.721 7.918 9.877 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.955 6.760 9.421 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.646 8.087 10.193 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.992 9.519 9.424 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.680 10.137 11.636 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.154 9.317 11.373 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.761 7.460 12.646 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.462 7.601 12.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.047 8.193 14.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.609 9.546 13.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.961 9.409 14.071 1.00 0.00 H new ATOM 1018 N ASN A 69 8.418 7.558 6.571 1.00 0.00 N ATOM 1019 CA ASN A 69 9.678 7.740 5.871 1.00 0.00 C ATOM 1020 C ASN A 69 10.753 8.171 6.871 1.00 0.00 C ATOM 1021 O ASN A 69 11.567 7.355 7.303 1.00 0.00 O ATOM 1022 CB ASN A 69 9.563 8.830 4.803 1.00 0.00 C ATOM 1023 CG ASN A 69 10.938 9.197 4.244 1.00 0.00 C ATOM 1024 OD1 ASN A 69 11.695 8.357 3.785 1.00 0.00 O ATOM 1025 ND2 ASN A 69 11.219 10.495 4.308 1.00 0.00 N ATOM 0 H ASN A 69 8.039 6.612 6.528 1.00 0.00 H new ATOM 0 HA ASN A 69 9.939 6.795 5.395 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.918 8.485 3.995 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.092 9.715 5.231 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.113 10.841 3.961 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.540 11.145 4.705 1.00 0.00 H new ATOM 1032 N GLY A 70 10.722 9.451 7.211 1.00 0.00 N ATOM 1033 CA GLY A 70 11.684 9.999 8.152 1.00 0.00 C ATOM 1034 C GLY A 70 12.594 11.024 7.471 1.00 0.00 C ATOM 1035 O GLY A 70 13.052 10.806 6.350 1.00 0.00 O ATOM 0 H GLY A 70 10.046 10.125 6.852 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.158 10.469 8.983 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.287 9.194 8.572 1.00 0.00 H new ATOM 1135 N ARG B 8 8.017 14.764 -8.965 1.00 0.00 N ATOM 1136 CA ARG B 8 6.979 15.365 -8.145 1.00 0.00 C ATOM 1137 C ARG B 8 6.130 14.278 -7.484 1.00 0.00 C ATOM 1138 O ARG B 8 6.644 13.225 -7.109 1.00 0.00 O ATOM 1139 CB ARG B 8 6.073 16.272 -8.981 1.00 0.00 C ATOM 1140 CG ARG B 8 6.893 17.109 -9.965 1.00 0.00 C ATOM 1141 CD ARG B 8 6.324 18.523 -10.089 1.00 0.00 C ATOM 1142 NE ARG B 8 6.561 19.047 -11.453 1.00 0.00 N ATOM 1143 CZ ARG B 8 7.753 19.465 -11.900 1.00 0.00 C ATOM 1144 NH1 ARG B 8 8.823 19.424 -11.095 1.00 0.00 N ATOM 1145 NH2 ARG B 8 7.875 19.925 -13.153 1.00 0.00 N ATOM 0 HA ARG B 8 7.468 15.966 -7.378 1.00 0.00 H new ATOM 0 HB2 ARG B 8 5.350 15.666 -9.528 1.00 0.00 H new ATOM 0 HB3 ARG B 8 5.505 16.930 -8.324 1.00 0.00 H new ATOM 0 HG2 ARG B 8 7.929 17.158 -9.630 1.00 0.00 H new ATOM 0 HG3 ARG B 8 6.896 16.627 -10.943 1.00 0.00 H new ATOM 0 HD2 ARG B 8 5.255 18.514 -9.875 1.00 0.00 H new ATOM 0 HD3 ARG B 8 6.791 19.177 -9.353 1.00 0.00 H new ATOM 0 HE ARG B 8 5.768 19.093 -12.092 1.00 0.00 H new ATOM 0 HH11 ARG B 8 8.731 19.074 -10.141 1.00 0.00 H new ATOM 0 HH12 ARG B 8 9.730 19.742 -11.436 1.00 0.00 H new ATOM 0 HH21 ARG B 8 7.060 19.957 -13.766 1.00 0.00 H new ATOM 0 HH22 ARG B 8 8.782 20.243 -13.493 1.00 0.00 H new ATOM 1159 N CYS B 9 4.843 14.570 -7.360 1.00 0.00 N ATOM 1160 CA CYS B 9 3.918 13.631 -6.750 1.00 0.00 C ATOM 1161 C CYS B 9 3.128 12.942 -7.864 1.00 0.00 C ATOM 1162 O CYS B 9 3.121 13.406 -9.003 1.00 0.00 O ATOM 1163 CB CYS B 9 2.998 14.319 -5.739 1.00 0.00 C ATOM 1164 SG CYS B 9 3.818 14.853 -4.193 1.00 0.00 S ATOM 0 H CYS B 9 4.420 15.444 -7.672 1.00 0.00 H new ATOM 0 HA CYS B 9 4.475 12.883 -6.185 1.00 0.00 H new ATOM 0 HB2 CYS B 9 2.547 15.190 -6.214 1.00 0.00 H new ATOM 0 HB3 CYS B 9 2.186 13.638 -5.486 1.00 0.00 H new ATOM 1169 N GLN B 10 2.481 11.846 -7.497 1.00 0.00 N ATOM 1170 CA GLN B 10 1.690 11.088 -8.452 1.00 0.00 C ATOM 1171 C GLN B 10 0.204 11.417 -8.289 1.00 0.00 C ATOM 1172 O GLN B 10 -0.627 10.946 -9.064 1.00 0.00 O ATOM 1173 CB GLN B 10 1.939 9.586 -8.301 1.00 0.00 C ATOM 1174 CG GLN B 10 1.423 8.820 -9.521 1.00 0.00 C ATOM 1175 CD GLN B 10 0.525 7.655 -9.097 1.00 0.00 C ATOM 1176 OE1 GLN B 10 -0.634 7.565 -9.467 1.00 0.00 O ATOM 1177 NE2 GLN B 10 1.123 6.772 -8.303 1.00 0.00 N ATOM 0 H GLN B 10 2.488 11.464 -6.551 1.00 0.00 H new ATOM 0 HA GLN B 10 1.998 11.374 -9.458 1.00 0.00 H new ATOM 0 HB2 GLN B 10 3.006 9.401 -8.176 1.00 0.00 H new ATOM 0 HB3 GLN B 10 1.444 9.220 -7.401 1.00 0.00 H new ATOM 0 HG2 GLN B 10 0.866 9.496 -10.170 1.00 0.00 H new ATOM 0 HG3 GLN B 10 2.265 8.442 -10.101 1.00 0.00 H new ATOM 0 HE21 GLN B 10 2.097 6.908 -8.031 1.00 0.00 H new ATOM 0 HE22 GLN B 10 0.608 5.959 -7.966 1.00 0.00 H new ATOM 1186 N CYS B 11 -0.083 12.223 -7.278 1.00 0.00 N ATOM 1187 CA CYS B 11 -1.454 12.620 -7.004 1.00 0.00 C ATOM 1188 C CYS B 11 -1.442 14.059 -6.485 1.00 0.00 C ATOM 1189 O CYS B 11 -0.597 14.421 -5.668 1.00 0.00 O ATOM 1190 CB CYS B 11 -2.134 11.664 -6.022 1.00 0.00 C ATOM 1191 SG CYS B 11 -3.736 10.989 -6.593 1.00 0.00 S ATOM 0 H CYS B 11 0.610 12.612 -6.639 1.00 0.00 H new ATOM 0 HA CYS B 11 -2.040 12.571 -7.921 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -1.458 10.834 -5.818 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -2.291 12.186 -5.078 1.00 0.00 H new ATOM 1196 N LEU B 12 -2.391 14.841 -6.980 1.00 0.00 N ATOM 1197 CA LEU B 12 -2.500 16.232 -6.576 1.00 0.00 C ATOM 1198 C LEU B 12 -3.662 16.383 -5.592 1.00 0.00 C ATOM 1199 O LEU B 12 -3.774 17.401 -4.910 1.00 0.00 O ATOM 1200 CB LEU B 12 -2.612 17.139 -7.804 1.00 0.00 C ATOM 1201 CG LEU B 12 -1.685 16.802 -8.974 1.00 0.00 C ATOM 1202 CD1 LEU B 12 -2.293 17.255 -10.303 1.00 0.00 C ATOM 1203 CD2 LEU B 12 -0.289 17.386 -8.753 1.00 0.00 C ATOM 0 H LEU B 12 -3.091 14.537 -7.657 1.00 0.00 H new ATOM 0 HA LEU B 12 -1.597 16.550 -6.055 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -3.641 17.108 -8.161 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -2.413 18.165 -7.493 1.00 0.00 H new ATOM 0 HG LEU B 12 -1.576 15.719 -9.023 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -1.614 17.004 -11.118 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -3.247 16.751 -10.457 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -2.451 18.333 -10.282 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.350 17.132 -9.599 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.358 18.470 -8.663 1.00 0.00 H new ATOM 0 HD23 LEU B 12 0.138 16.973 -7.839 1.00 0.00 H new ATOM 1215 N GLN B 13 -4.497 15.356 -5.550 1.00 0.00 N ATOM 1216 CA GLN B 13 -5.646 15.362 -4.661 1.00 0.00 C ATOM 1217 C GLN B 13 -5.771 14.015 -3.946 1.00 0.00 C ATOM 1218 O GLN B 13 -5.104 13.049 -4.313 1.00 0.00 O ATOM 1219 CB GLN B 13 -6.929 15.698 -5.424 1.00 0.00 C ATOM 1220 CG GLN B 13 -8.060 16.064 -4.461 1.00 0.00 C ATOM 1221 CD GLN B 13 -9.043 17.038 -5.114 1.00 0.00 C ATOM 1222 OE1 GLN B 13 -9.597 16.786 -6.172 1.00 0.00 O ATOM 1223 NE2 GLN B 13 -9.227 18.162 -4.428 1.00 0.00 N ATOM 0 H GLN B 13 -4.401 14.514 -6.117 1.00 0.00 H new ATOM 0 HA GLN B 13 -5.495 16.138 -3.910 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -6.744 16.528 -6.106 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -7.228 14.845 -6.034 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -8.587 15.161 -4.154 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -7.644 16.512 -3.559 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -8.732 18.310 -3.549 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -9.864 18.877 -4.781 1.00 0.00 H new ATOM 1232 N THR B 14 -6.631 13.993 -2.938 1.00 0.00 N ATOM 1233 CA THR B 14 -6.852 12.781 -2.169 1.00 0.00 C ATOM 1234 C THR B 14 -8.271 12.762 -1.598 1.00 0.00 C ATOM 1235 O THR B 14 -8.948 13.789 -1.574 1.00 0.00 O ATOM 1236 CB THR B 14 -5.765 12.697 -1.096 1.00 0.00 C ATOM 1237 OG1 THR B 14 -5.507 14.057 -0.756 1.00 0.00 O ATOM 1238 CG2 THR B 14 -4.431 12.193 -1.651 1.00 0.00 C ATOM 0 H THR B 14 -7.183 14.796 -2.636 1.00 0.00 H new ATOM 0 HA THR B 14 -6.777 11.895 -2.799 1.00 0.00 H new ATOM 0 HB THR B 14 -6.097 12.037 -0.295 1.00 0.00 H new ATOM 0 HG1 THR B 14 -4.814 14.095 -0.064 1.00 0.00 H new ATOM 0 HG21 THR B 14 -3.695 12.152 -0.848 1.00 0.00 H new ATOM 0 HG22 THR B 14 -4.565 11.196 -2.071 1.00 0.00 H new ATOM 0 HG23 THR B 14 -4.082 12.871 -2.430 1.00 0.00 H new ATOM 1246 N LEU B 15 -8.680 11.583 -1.153 1.00 0.00 N ATOM 1247 CA LEU B 15 -10.007 11.417 -0.585 1.00 0.00 C ATOM 1248 C LEU B 15 -9.918 11.505 0.940 1.00 0.00 C ATOM 1249 O LEU B 15 -8.851 11.775 1.489 1.00 0.00 O ATOM 1250 CB LEU B 15 -10.649 10.124 -1.090 1.00 0.00 C ATOM 1251 CG LEU B 15 -10.889 10.039 -2.599 1.00 0.00 C ATOM 1252 CD1 LEU B 15 -10.694 8.608 -3.105 1.00 0.00 C ATOM 1253 CD2 LEU B 15 -12.266 10.594 -2.967 1.00 0.00 C ATOM 0 H LEU B 15 -8.116 10.734 -1.174 1.00 0.00 H new ATOM 0 HA LEU B 15 -10.665 12.221 -0.914 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -10.015 9.288 -0.795 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -11.605 9.994 -0.582 1.00 0.00 H new ATOM 0 HG LEU B 15 -10.147 10.662 -3.099 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -10.870 8.575 -4.180 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -9.675 8.283 -2.894 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -11.397 7.945 -2.601 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -12.411 10.522 -4.045 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -13.038 10.018 -2.457 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -12.331 11.638 -2.661 1.00 0.00 H new ATOM 1265 N GLN B 16 -11.054 11.271 1.582 1.00 0.00 N ATOM 1266 CA GLN B 16 -11.118 11.320 3.032 1.00 0.00 C ATOM 1267 C GLN B 16 -11.223 9.906 3.607 1.00 0.00 C ATOM 1268 O GLN B 16 -11.047 9.705 4.808 1.00 0.00 O ATOM 1269 CB GLN B 16 -12.285 12.191 3.501 1.00 0.00 C ATOM 1270 CG GLN B 16 -12.615 11.922 4.971 1.00 0.00 C ATOM 1271 CD GLN B 16 -13.348 13.111 5.595 1.00 0.00 C ATOM 1272 OE1 GLN B 16 -14.540 13.300 5.419 1.00 0.00 O ATOM 1273 NE2 GLN B 16 -12.570 13.900 6.331 1.00 0.00 N ATOM 0 H GLN B 16 -11.937 11.047 1.124 1.00 0.00 H new ATOM 0 HA GLN B 16 -10.198 11.774 3.401 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -12.034 13.243 3.368 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -13.162 11.992 2.885 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -13.232 11.027 5.051 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -11.696 11.726 5.524 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -11.579 13.684 6.437 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -12.965 14.721 6.789 1.00 0.00 H new ATOM 1282 N GLY B 17 -11.511 8.962 2.723 1.00 0.00 N ATOM 1283 CA GLY B 17 -11.642 7.573 3.127 1.00 0.00 C ATOM 1284 C GLY B 17 -12.888 6.936 2.507 1.00 0.00 C ATOM 1285 O GLY B 17 -13.996 7.112 3.012 1.00 0.00 O ATOM 0 H GLY B 17 -11.657 9.132 1.728 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -10.755 7.017 2.823 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -11.700 7.511 4.214 1.00 0.00 H new ATOM 1289 N ILE B 18 -12.665 6.210 1.422 1.00 0.00 N ATOM 1290 CA ILE B 18 -13.755 5.547 0.728 1.00 0.00 C ATOM 1291 C ILE B 18 -13.922 4.131 1.284 1.00 0.00 C ATOM 1292 O ILE B 18 -13.027 3.612 1.949 1.00 0.00 O ATOM 1293 CB ILE B 18 -13.533 5.591 -0.785 1.00 0.00 C ATOM 1294 CG1 ILE B 18 -14.017 6.919 -1.372 1.00 0.00 C ATOM 1295 CG2 ILE B 18 -14.187 4.390 -1.471 1.00 0.00 C ATOM 1296 CD1 ILE B 18 -13.793 6.964 -2.885 1.00 0.00 C ATOM 0 H ILE B 18 -11.745 6.066 1.006 1.00 0.00 H new ATOM 0 HA ILE B 18 -14.694 6.072 0.904 1.00 0.00 H new ATOM 0 HB ILE B 18 -12.462 5.526 -0.974 1.00 0.00 H new ATOM 0 HG12 ILE B 18 -15.076 7.053 -1.154 1.00 0.00 H new ATOM 0 HG13 ILE B 18 -13.487 7.745 -0.898 1.00 0.00 H new ATOM 0 HG21 ILE B 18 -14.014 4.446 -2.546 1.00 0.00 H new ATOM 0 HG22 ILE B 18 -13.754 3.468 -1.081 1.00 0.00 H new ATOM 0 HG23 ILE B 18 -15.259 4.399 -1.275 1.00 0.00 H new ATOM 0 HD11 ILE B 18 -14.146 7.918 -3.277 1.00 0.00 H new ATOM 0 HD12 ILE B 18 -12.730 6.855 -3.099 1.00 0.00 H new ATOM 0 HD13 ILE B 18 -14.344 6.151 -3.359 1.00 0.00 H new ATOM 1308 N HIS B 19 -15.075 3.547 0.991 1.00 0.00 N ATOM 1309 CA HIS B 19 -15.370 2.202 1.453 1.00 0.00 C ATOM 1310 C HIS B 19 -14.232 1.260 1.055 1.00 0.00 C ATOM 1311 O HIS B 19 -13.703 1.354 -0.052 1.00 0.00 O ATOM 1312 CB HIS B 19 -16.733 1.737 0.937 1.00 0.00 C ATOM 1313 CG HIS B 19 -17.567 1.013 1.967 1.00 0.00 C ATOM 1314 ND1 HIS B 19 -18.826 1.443 2.348 1.00 0.00 N ATOM 1315 CD2 HIS B 19 -17.309 -0.114 2.691 1.00 0.00 C ATOM 1316 CE1 HIS B 19 -19.295 0.605 3.261 1.00 0.00 C ATOM 1317 NE2 HIS B 19 -18.353 -0.359 3.472 1.00 0.00 N ATOM 0 H HIS B 19 -15.815 3.981 0.440 1.00 0.00 H new ATOM 0 HA HIS B 19 -15.436 2.194 2.541 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -17.289 2.603 0.579 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -16.581 1.080 0.081 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -16.408 -0.706 2.637 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -20.255 0.673 3.752 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -18.437 -1.140 4.123 1.00 0.00 H new ATOM 1325 N LEU B 20 -13.888 0.375 1.978 1.00 0.00 N ATOM 1326 CA LEU B 20 -12.823 -0.583 1.737 1.00 0.00 C ATOM 1327 C LEU B 20 -13.404 -1.828 1.065 1.00 0.00 C ATOM 1328 O LEU B 20 -12.739 -2.859 0.978 1.00 0.00 O ATOM 1329 CB LEU B 20 -12.066 -0.880 3.033 1.00 0.00 C ATOM 1330 CG LEU B 20 -10.651 -1.440 2.870 1.00 0.00 C ATOM 1331 CD1 LEU B 20 -10.685 -2.946 2.601 1.00 0.00 C ATOM 1332 CD2 LEU B 20 -9.883 -0.681 1.786 1.00 0.00 C ATOM 0 H LEU B 20 -14.328 0.301 2.895 1.00 0.00 H new ATOM 0 HA LEU B 20 -12.085 -0.167 1.052 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -12.007 0.040 3.615 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -12.651 -1.590 3.618 1.00 0.00 H new ATOM 0 HG LEU B 20 -10.115 -1.293 3.808 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -9.667 -3.319 2.489 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -11.168 -3.454 3.436 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -11.245 -3.140 1.686 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -8.881 -1.099 1.690 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -10.408 -0.775 0.835 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -9.813 0.372 2.059 1.00 0.00 H new ATOM 1344 N LYS B 21 -14.640 -1.692 0.606 1.00 0.00 N ATOM 1345 CA LYS B 21 -15.319 -2.793 -0.055 1.00 0.00 C ATOM 1346 C LYS B 21 -15.079 -2.702 -1.564 1.00 0.00 C ATOM 1347 O LYS B 21 -15.158 -3.706 -2.270 1.00 0.00 O ATOM 1348 CB LYS B 21 -16.799 -2.820 0.331 1.00 0.00 C ATOM 1349 CG LYS B 21 -17.552 -1.646 -0.300 1.00 0.00 C ATOM 1350 CD LYS B 21 -19.015 -2.010 -0.559 1.00 0.00 C ATOM 1351 CE LYS B 21 -19.954 -0.957 0.034 1.00 0.00 C ATOM 1352 NZ LYS B 21 -20.624 -1.484 1.245 1.00 0.00 N ATOM 0 H LYS B 21 -15.189 -0.835 0.679 1.00 0.00 H new ATOM 0 HA LYS B 21 -14.910 -3.747 0.277 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -17.246 -3.760 0.007 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -16.896 -2.778 1.416 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -17.500 -0.779 0.359 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -17.072 -1.363 -1.237 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -19.188 -2.094 -1.632 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -19.234 -2.985 -0.123 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -19.390 -0.058 0.285 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -20.701 -0.669 -0.706 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -21.308 -0.783 1.596 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -21.122 -2.366 1.010 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -19.913 -1.673 1.980 1.00 0.00 H new ATOM 1366 N ASN B 22 -14.789 -1.490 -2.012 1.00 0.00 N ATOM 1367 CA ASN B 22 -14.537 -1.255 -3.424 1.00 0.00 C ATOM 1368 C ASN B 22 -13.035 -1.367 -3.695 1.00 0.00 C ATOM 1369 O ASN B 22 -12.626 -1.813 -4.766 1.00 0.00 O ATOM 1370 CB ASN B 22 -14.988 0.147 -3.838 1.00 0.00 C ATOM 1371 CG ASN B 22 -16.305 0.092 -4.615 1.00 0.00 C ATOM 1372 OD1 ASN B 22 -16.405 -0.496 -5.679 1.00 0.00 O ATOM 1373 ND2 ASN B 22 -17.308 0.737 -4.025 1.00 0.00 N ATOM 0 H ASN B 22 -14.723 -0.660 -1.423 1.00 0.00 H new ATOM 0 HA ASN B 22 -15.096 -1.997 -3.994 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -15.110 0.770 -2.952 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -14.218 0.614 -4.452 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -18.228 0.759 -4.464 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -17.157 1.209 -3.134 1.00 0.00 H new ATOM 1380 N ILE B 23 -12.255 -0.956 -2.706 1.00 0.00 N ATOM 1381 CA ILE B 23 -10.808 -1.005 -2.824 1.00 0.00 C ATOM 1382 C ILE B 23 -10.368 -2.453 -3.051 1.00 0.00 C ATOM 1383 O ILE B 23 -10.830 -3.361 -2.363 1.00 0.00 O ATOM 1384 CB ILE B 23 -10.149 -0.345 -1.611 1.00 0.00 C ATOM 1385 CG1 ILE B 23 -9.984 1.160 -1.828 1.00 0.00 C ATOM 1386 CG2 ILE B 23 -8.820 -1.024 -1.273 1.00 0.00 C ATOM 1387 CD1 ILE B 23 -10.455 1.945 -0.602 1.00 0.00 C ATOM 0 H ILE B 23 -12.598 -0.587 -1.819 1.00 0.00 H new ATOM 0 HA ILE B 23 -10.477 -0.431 -3.689 1.00 0.00 H new ATOM 0 HB ILE B 23 -10.806 -0.476 -0.751 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -8.938 1.389 -2.031 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -10.554 1.470 -2.704 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -8.372 -0.536 -0.407 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -8.996 -2.076 -1.046 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -8.144 -0.945 -2.124 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -10.327 3.012 -0.782 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -11.508 1.732 -0.416 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -9.866 1.651 0.267 1.00 0.00 H new ATOM 1399 N GLN B 24 -9.480 -2.623 -4.020 1.00 0.00 N ATOM 1400 CA GLN B 24 -8.973 -3.945 -4.346 1.00 0.00 C ATOM 1401 C GLN B 24 -7.484 -4.041 -4.005 1.00 0.00 C ATOM 1402 O GLN B 24 -6.962 -5.134 -3.791 1.00 0.00 O ATOM 1403 CB GLN B 24 -9.220 -4.279 -5.819 1.00 0.00 C ATOM 1404 CG GLN B 24 -9.739 -5.710 -5.977 1.00 0.00 C ATOM 1405 CD GLN B 24 -8.728 -6.580 -6.726 1.00 0.00 C ATOM 1406 OE1 GLN B 24 -8.938 -6.986 -7.858 1.00 0.00 O ATOM 1407 NE2 GLN B 24 -7.623 -6.842 -6.035 1.00 0.00 N ATOM 0 H GLN B 24 -9.099 -1.867 -4.589 1.00 0.00 H new ATOM 0 HA GLN B 24 -9.512 -4.678 -3.746 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -9.942 -3.578 -6.238 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -8.295 -4.159 -6.383 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -9.937 -6.140 -4.995 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -10.686 -5.700 -6.517 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -7.511 -6.471 -5.092 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -6.887 -7.414 -6.448 1.00 0.00 H new ATOM 1416 N SER B 25 -6.843 -2.883 -3.965 1.00 0.00 N ATOM 1417 CA SER B 25 -5.425 -2.823 -3.654 1.00 0.00 C ATOM 1418 C SER B 25 -5.092 -1.487 -2.986 1.00 0.00 C ATOM 1419 O SER B 25 -5.892 -0.554 -3.024 1.00 0.00 O ATOM 1420 CB SER B 25 -4.576 -3.013 -4.913 1.00 0.00 C ATOM 1421 OG SER B 25 -5.351 -3.480 -6.014 1.00 0.00 O ATOM 0 H SER B 25 -7.279 -1.978 -4.143 1.00 0.00 H new ATOM 0 HA SER B 25 -5.191 -3.635 -2.965 1.00 0.00 H new ATOM 0 HB2 SER B 25 -4.103 -2.067 -5.178 1.00 0.00 H new ATOM 0 HB3 SER B 25 -3.775 -3.723 -4.706 1.00 0.00 H new ATOM 0 HG SER B 25 -4.774 -3.587 -6.798 1.00 0.00 H new ATOM 1427 N VAL B 26 -3.909 -1.438 -2.391 1.00 0.00 N ATOM 1428 CA VAL B 26 -3.460 -0.233 -1.715 1.00 0.00 C ATOM 1429 C VAL B 26 -2.039 0.104 -2.172 1.00 0.00 C ATOM 1430 O VAL B 26 -1.212 -0.790 -2.346 1.00 0.00 O ATOM 1431 CB VAL B 26 -3.575 -0.408 -0.200 1.00 0.00 C ATOM 1432 CG1 VAL B 26 -2.777 0.669 0.539 1.00 0.00 C ATOM 1433 CG2 VAL B 26 -5.040 -0.405 0.243 1.00 0.00 C ATOM 0 H VAL B 26 -3.248 -2.214 -2.363 1.00 0.00 H new ATOM 0 HA VAL B 26 -4.096 0.612 -1.980 1.00 0.00 H new ATOM 0 HB VAL B 26 -3.149 -1.377 0.058 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -2.876 0.521 1.614 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -1.726 0.600 0.258 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -3.160 1.654 0.271 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -5.093 -0.531 1.324 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -5.502 0.542 -0.035 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -5.569 -1.224 -0.244 1.00 0.00 H new ATOM 1443 N LYS B 27 -1.800 1.394 -2.354 1.00 0.00 N ATOM 1444 CA LYS B 27 -0.493 1.859 -2.787 1.00 0.00 C ATOM 1445 C LYS B 27 -0.066 3.046 -1.920 1.00 0.00 C ATOM 1446 O LYS B 27 -0.775 4.047 -1.839 1.00 0.00 O ATOM 1447 CB LYS B 27 -0.504 2.165 -4.286 1.00 0.00 C ATOM 1448 CG LYS B 27 0.820 2.793 -4.726 1.00 0.00 C ATOM 1449 CD LYS B 27 1.992 1.846 -4.458 1.00 0.00 C ATOM 1450 CE LYS B 27 2.725 1.500 -5.756 1.00 0.00 C ATOM 1451 NZ LYS B 27 4.170 1.305 -5.499 1.00 0.00 N ATOM 0 H LYS B 27 -2.489 2.132 -2.210 1.00 0.00 H new ATOM 0 HA LYS B 27 0.255 1.078 -2.649 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -0.680 1.247 -4.847 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -1.326 2.842 -4.517 1.00 0.00 H new ATOM 0 HG2 LYS B 27 0.777 3.033 -5.788 1.00 0.00 H new ATOM 0 HG3 LYS B 27 0.977 3.731 -4.193 1.00 0.00 H new ATOM 0 HD2 LYS B 27 2.686 2.310 -3.757 1.00 0.00 H new ATOM 0 HD3 LYS B 27 1.626 0.933 -3.988 1.00 0.00 H new ATOM 0 HE2 LYS B 27 2.301 0.594 -6.190 1.00 0.00 H new ATOM 0 HE3 LYS B 27 2.584 2.298 -6.484 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 4.558 0.632 -6.191 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 4.664 2.216 -5.587 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 4.304 0.930 -4.538 1.00 0.00 H new ATOM 1465 N VAL B 28 1.092 2.893 -1.294 1.00 0.00 N ATOM 1466 CA VAL B 28 1.622 3.939 -0.436 1.00 0.00 C ATOM 1467 C VAL B 28 2.943 4.448 -1.017 1.00 0.00 C ATOM 1468 O VAL B 28 3.974 3.789 -0.893 1.00 0.00 O ATOM 1469 CB VAL B 28 1.759 3.422 0.997 1.00 0.00 C ATOM 1470 CG1 VAL B 28 2.067 4.565 1.966 1.00 0.00 C ATOM 1471 CG2 VAL B 28 0.503 2.661 1.428 1.00 0.00 C ATOM 0 H VAL B 28 1.678 2.061 -1.364 1.00 0.00 H new ATOM 0 HA VAL B 28 0.936 4.785 -0.397 1.00 0.00 H new ATOM 0 HB VAL B 28 2.598 2.726 1.023 1.00 0.00 H new ATOM 0 HG11 VAL B 28 2.159 4.170 2.978 1.00 0.00 H new ATOM 0 HG12 VAL B 28 3.002 5.045 1.677 1.00 0.00 H new ATOM 0 HG13 VAL B 28 1.259 5.296 1.935 1.00 0.00 H new ATOM 0 HG21 VAL B 28 0.627 2.304 2.450 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -0.360 3.325 1.377 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.347 1.811 0.764 1.00 0.00 H new ATOM 1481 N LYS B 29 2.869 5.616 -1.638 1.00 0.00 N ATOM 1482 CA LYS B 29 4.046 6.221 -2.238 1.00 0.00 C ATOM 1483 C LYS B 29 4.553 7.346 -1.333 1.00 0.00 C ATOM 1484 O LYS B 29 4.104 8.486 -1.444 1.00 0.00 O ATOM 1485 CB LYS B 29 3.747 6.670 -3.669 1.00 0.00 C ATOM 1486 CG LYS B 29 4.892 7.517 -4.229 1.00 0.00 C ATOM 1487 CD LYS B 29 5.994 6.631 -4.813 1.00 0.00 C ATOM 1488 CE LYS B 29 5.611 6.126 -6.205 1.00 0.00 C ATOM 1489 NZ LYS B 29 5.202 4.704 -6.146 1.00 0.00 N ATOM 0 H LYS B 29 2.012 6.160 -1.739 1.00 0.00 H new ATOM 0 HA LYS B 29 4.851 5.490 -2.320 1.00 0.00 H new ATOM 0 HB2 LYS B 29 3.592 5.797 -4.303 1.00 0.00 H new ATOM 0 HB3 LYS B 29 2.822 7.246 -3.687 1.00 0.00 H new ATOM 0 HG2 LYS B 29 4.511 8.186 -5.001 1.00 0.00 H new ATOM 0 HG3 LYS B 29 5.305 8.144 -3.439 1.00 0.00 H new ATOM 0 HD2 LYS B 29 6.926 7.194 -4.870 1.00 0.00 H new ATOM 0 HD3 LYS B 29 6.173 5.784 -4.151 1.00 0.00 H new ATOM 0 HE2 LYS B 29 4.796 6.729 -6.605 1.00 0.00 H new ATOM 0 HE3 LYS B 29 6.455 6.240 -6.885 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 4.652 4.466 -6.996 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 6.048 4.101 -6.101 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 4.618 4.545 -5.300 1.00 0.00 H new ATOM 1503 N SER B 30 5.482 6.986 -0.460 1.00 0.00 N ATOM 1504 CA SER B 30 6.055 7.951 0.463 1.00 0.00 C ATOM 1505 C SER B 30 6.768 9.060 -0.315 1.00 0.00 C ATOM 1506 O SER B 30 6.930 8.964 -1.530 1.00 0.00 O ATOM 1507 CB SER B 30 7.026 7.276 1.434 1.00 0.00 C ATOM 1508 OG SER B 30 8.348 7.792 1.312 1.00 0.00 O ATOM 0 H SER B 30 5.852 6.040 -0.372 1.00 0.00 H new ATOM 0 HA SER B 30 5.245 8.388 1.047 1.00 0.00 H new ATOM 0 HB2 SER B 30 6.674 7.418 2.456 1.00 0.00 H new ATOM 0 HB3 SER B 30 7.037 6.202 1.247 1.00 0.00 H new ATOM 0 HG SER B 30 8.937 7.337 1.949 1.00 0.00 H new ATOM 1514 N PRO B 31 7.185 10.113 0.438 1.00 0.00 N ATOM 1515 CA PRO B 31 7.877 11.238 -0.168 1.00 0.00 C ATOM 1516 C PRO B 31 9.321 10.871 -0.517 1.00 0.00 C ATOM 1517 O PRO B 31 9.717 9.712 -0.396 1.00 0.00 O ATOM 1518 CB PRO B 31 7.780 12.357 0.856 1.00 0.00 C ATOM 1519 CG PRO B 31 7.449 11.684 2.178 1.00 0.00 C ATOM 1520 CD PRO B 31 7.011 10.260 1.880 1.00 0.00 C ATOM 0 HA PRO B 31 7.434 11.543 -1.116 1.00 0.00 H new ATOM 0 HB2 PRO B 31 8.718 12.908 0.922 1.00 0.00 H new ATOM 0 HB3 PRO B 31 7.008 13.074 0.579 1.00 0.00 H new ATOM 0 HG2 PRO B 31 8.318 11.686 2.835 1.00 0.00 H new ATOM 0 HG3 PRO B 31 6.657 12.227 2.695 1.00 0.00 H new ATOM 0 HD2 PRO B 31 7.616 9.537 2.428 1.00 0.00 H new ATOM 0 HD3 PRO B 31 5.974 10.095 2.173 1.00 0.00 H new ATOM 1528 N GLY B 32 10.067 11.879 -0.944 1.00 0.00 N ATOM 1529 CA GLY B 32 11.458 11.676 -1.312 1.00 0.00 C ATOM 1530 C GLY B 32 12.152 13.012 -1.589 1.00 0.00 C ATOM 1531 O GLY B 32 11.695 14.059 -1.133 1.00 0.00 O ATOM 0 H GLY B 32 9.735 12.838 -1.043 1.00 0.00 H new ATOM 0 HA2 GLY B 32 11.977 11.152 -0.510 1.00 0.00 H new ATOM 0 HA3 GLY B 32 11.515 11.042 -2.197 1.00 0.00 H new ATOM 1535 N PRO B 33 13.273 12.929 -2.354 1.00 0.00 N ATOM 1536 CA PRO B 33 14.034 14.118 -2.697 1.00 0.00 C ATOM 1537 C PRO B 33 13.318 14.936 -3.774 1.00 0.00 C ATOM 1538 O PRO B 33 13.831 15.958 -4.226 1.00 0.00 O ATOM 1539 CB PRO B 33 15.390 13.600 -3.149 1.00 0.00 C ATOM 1540 CG PRO B 33 15.185 12.132 -3.484 1.00 0.00 C ATOM 1541 CD PRO B 33 13.844 11.706 -2.911 1.00 0.00 C ATOM 0 HA PRO B 33 14.144 14.804 -1.857 1.00 0.00 H new ATOM 0 HB2 PRO B 33 15.749 14.152 -4.017 1.00 0.00 H new ATOM 0 HB3 PRO B 33 16.136 13.721 -2.363 1.00 0.00 H new ATOM 0 HG2 PRO B 33 15.204 11.980 -4.563 1.00 0.00 H new ATOM 0 HG3 PRO B 33 15.989 11.528 -3.063 1.00 0.00 H new ATOM 0 HD2 PRO B 33 13.200 11.284 -3.682 1.00 0.00 H new ATOM 0 HD3 PRO B 33 13.966 10.941 -2.144 1.00 0.00 H new ATOM 1549 N HIS B 34 12.143 14.455 -4.153 1.00 0.00 N ATOM 1550 CA HIS B 34 11.351 15.129 -5.168 1.00 0.00 C ATOM 1551 C HIS B 34 10.073 15.684 -4.537 1.00 0.00 C ATOM 1552 O HIS B 34 9.790 16.876 -4.646 1.00 0.00 O ATOM 1553 CB HIS B 34 11.072 14.195 -6.348 1.00 0.00 C ATOM 1554 CG HIS B 34 10.934 12.742 -5.962 1.00 0.00 C ATOM 1555 ND1 HIS B 34 11.985 11.999 -5.453 1.00 0.00 N ATOM 1556 CD2 HIS B 34 9.860 11.903 -6.015 1.00 0.00 C ATOM 1557 CE1 HIS B 34 11.551 10.770 -5.214 1.00 0.00 C ATOM 1558 NE2 HIS B 34 10.234 10.712 -5.565 1.00 0.00 N ATOM 0 H HIS B 34 11.720 13.607 -3.776 1.00 0.00 H new ATOM 0 HA HIS B 34 11.912 15.972 -5.571 1.00 0.00 H new ATOM 0 HB2 HIS B 34 10.157 14.517 -6.844 1.00 0.00 H new ATOM 0 HB3 HIS B 34 11.879 14.292 -7.074 1.00 0.00 H new ATOM 0 HD2 HIS B 34 8.872 12.164 -6.364 1.00 0.00 H new ATOM 0 HE1 HIS B 34 12.137 9.957 -4.812 1.00 0.00 H new ATOM 0 HE2 HIS B 34 9.636 9.889 -5.493 1.00 0.00 H new ATOM 1566 N CYS B 35 9.336 14.794 -3.890 1.00 0.00 N ATOM 1567 CA CYS B 35 8.094 15.180 -3.241 1.00 0.00 C ATOM 1568 C CYS B 35 8.237 14.923 -1.739 1.00 0.00 C ATOM 1569 O CYS B 35 8.498 13.796 -1.321 1.00 0.00 O ATOM 1570 CB CYS B 35 6.892 14.443 -3.834 1.00 0.00 C ATOM 1571 SG CYS B 35 5.669 15.517 -4.670 1.00 0.00 S ATOM 0 H CYS B 35 9.575 13.806 -3.801 1.00 0.00 H new ATOM 0 HA CYS B 35 7.906 16.240 -3.411 1.00 0.00 H new ATOM 0 HB2 CYS B 35 7.253 13.703 -4.548 1.00 0.00 H new ATOM 0 HB3 CYS B 35 6.389 13.896 -3.036 1.00 0.00 H new ATOM 1576 N ALA B 36 8.059 15.987 -0.970 1.00 0.00 N ATOM 1577 CA ALA B 36 8.165 15.891 0.476 1.00 0.00 C ATOM 1578 C ALA B 36 6.781 15.615 1.067 1.00 0.00 C ATOM 1579 O ALA B 36 6.526 15.922 2.231 1.00 0.00 O ATOM 1580 CB ALA B 36 8.790 17.173 1.029 1.00 0.00 C ATOM 0 H ALA B 36 7.842 16.920 -1.321 1.00 0.00 H new ATOM 0 HA ALA B 36 8.816 15.063 0.759 1.00 0.00 H new ATOM 0 HB1 ALA B 36 8.869 17.101 2.114 1.00 0.00 H new ATOM 0 HB2 ALA B 36 9.783 17.308 0.601 1.00 0.00 H new ATOM 0 HB3 ALA B 36 8.163 18.026 0.767 1.00 0.00 H new ATOM 1586 N GLN B 37 5.923 15.038 0.239 1.00 0.00 N ATOM 1587 CA GLN B 37 4.571 14.718 0.665 1.00 0.00 C ATOM 1588 C GLN B 37 4.238 13.264 0.323 1.00 0.00 C ATOM 1589 O GLN B 37 4.877 12.663 -0.539 1.00 0.00 O ATOM 1590 CB GLN B 37 3.557 15.675 0.036 1.00 0.00 C ATOM 1591 CG GLN B 37 4.016 17.128 0.173 1.00 0.00 C ATOM 1592 CD GLN B 37 3.914 17.864 -1.164 1.00 0.00 C ATOM 1593 OE1 GLN B 37 2.932 18.521 -1.468 1.00 0.00 O ATOM 1594 NE2 GLN B 37 4.981 17.718 -1.945 1.00 0.00 N ATOM 0 H GLN B 37 6.138 14.784 -0.725 1.00 0.00 H new ATOM 0 HA GLN B 37 4.513 14.840 1.747 1.00 0.00 H new ATOM 0 HB2 GLN B 37 3.425 15.429 -1.018 1.00 0.00 H new ATOM 0 HB3 GLN B 37 2.587 15.550 0.516 1.00 0.00 H new ATOM 0 HG2 GLN B 37 3.406 17.637 0.920 1.00 0.00 H new ATOM 0 HG3 GLN B 37 5.046 17.156 0.530 1.00 0.00 H new ATOM 0 HE21 GLN B 37 5.770 17.154 -1.630 1.00 0.00 H new ATOM 0 HE22 GLN B 37 5.010 18.170 -2.859 1.00 0.00 H new ATOM 1603 N THR B 38 3.238 12.741 1.017 1.00 0.00 N ATOM 1604 CA THR B 38 2.812 11.369 0.798 1.00 0.00 C ATOM 1605 C THR B 38 1.790 11.303 -0.339 1.00 0.00 C ATOM 1606 O THR B 38 1.228 12.324 -0.733 1.00 0.00 O ATOM 1607 CB THR B 38 2.281 10.822 2.125 1.00 0.00 C ATOM 1608 OG1 THR B 38 3.344 11.053 3.046 1.00 0.00 O ATOM 1609 CG2 THR B 38 2.126 9.299 2.109 1.00 0.00 C ATOM 0 H THR B 38 2.710 13.243 1.731 1.00 0.00 H new ATOM 0 HA THR B 38 3.645 10.742 0.481 1.00 0.00 H new ATOM 0 HB THR B 38 1.319 11.283 2.349 1.00 0.00 H new ATOM 0 HG1 THR B 38 3.084 10.730 3.934 1.00 0.00 H new ATOM 0 HG21 THR B 38 1.746 8.962 3.074 1.00 0.00 H new ATOM 0 HG22 THR B 38 1.427 9.013 1.324 1.00 0.00 H new ATOM 0 HG23 THR B 38 3.095 8.837 1.919 1.00 0.00 H new ATOM 1617 N GLU B 39 1.580 10.092 -0.833 1.00 0.00 N ATOM 1618 CA GLU B 39 0.636 9.879 -1.917 1.00 0.00 C ATOM 1619 C GLU B 39 -0.028 8.508 -1.781 1.00 0.00 C ATOM 1620 O GLU B 39 0.287 7.584 -2.530 1.00 0.00 O ATOM 1621 CB GLU B 39 1.321 10.024 -3.277 1.00 0.00 C ATOM 1622 CG GLU B 39 1.256 11.471 -3.772 1.00 0.00 C ATOM 1623 CD GLU B 39 2.598 12.179 -3.574 1.00 0.00 C ATOM 1624 OE1 GLU B 39 3.440 12.065 -4.491 1.00 0.00 O ATOM 1625 OE2 GLU B 39 2.752 12.817 -2.510 1.00 0.00 O ATOM 0 H GLU B 39 2.047 9.248 -0.503 1.00 0.00 H new ATOM 0 HA GLU B 39 -0.138 10.644 -1.854 1.00 0.00 H new ATOM 0 HB2 GLU B 39 2.362 9.709 -3.200 1.00 0.00 H new ATOM 0 HB3 GLU B 39 0.842 9.366 -4.002 1.00 0.00 H new ATOM 0 HG2 GLU B 39 0.985 11.486 -4.828 1.00 0.00 H new ATOM 0 HG3 GLU B 39 0.475 12.008 -3.235 1.00 0.00 H new ATOM 1632 N VAL B 40 -0.935 8.417 -0.819 1.00 0.00 N ATOM 1633 CA VAL B 40 -1.646 7.174 -0.575 1.00 0.00 C ATOM 1634 C VAL B 40 -2.658 6.942 -1.699 1.00 0.00 C ATOM 1635 O VAL B 40 -3.513 7.789 -1.953 1.00 0.00 O ATOM 1636 CB VAL B 40 -2.289 7.202 0.813 1.00 0.00 C ATOM 1637 CG1 VAL B 40 -3.034 5.897 1.098 1.00 0.00 C ATOM 1638 CG2 VAL B 40 -1.245 7.486 1.895 1.00 0.00 C ATOM 0 H VAL B 40 -1.194 9.185 -0.199 1.00 0.00 H new ATOM 0 HA VAL B 40 -0.955 6.331 -0.580 1.00 0.00 H new ATOM 0 HB VAL B 40 -3.017 8.013 0.829 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -3.482 5.943 2.091 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -3.817 5.755 0.353 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -2.335 5.062 1.054 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -1.728 7.501 2.872 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -0.483 6.707 1.879 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -0.779 8.453 1.706 1.00 0.00 H new ATOM 1648 N ILE B 41 -2.528 5.790 -2.340 1.00 0.00 N ATOM 1649 CA ILE B 41 -3.421 5.435 -3.430 1.00 0.00 C ATOM 1650 C ILE B 41 -4.053 4.072 -3.144 1.00 0.00 C ATOM 1651 O ILE B 41 -3.453 3.235 -2.471 1.00 0.00 O ATOM 1652 CB ILE B 41 -2.685 5.503 -4.770 1.00 0.00 C ATOM 1653 CG1 ILE B 41 -1.507 6.478 -4.699 1.00 0.00 C ATOM 1654 CG2 ILE B 41 -3.647 5.848 -5.908 1.00 0.00 C ATOM 1655 CD1 ILE B 41 -1.995 7.912 -4.481 1.00 0.00 C ATOM 0 H ILE B 41 -1.818 5.090 -2.125 1.00 0.00 H new ATOM 0 HA ILE B 41 -4.236 6.155 -3.503 1.00 0.00 H new ATOM 0 HB ILE B 41 -2.274 4.516 -4.985 1.00 0.00 H new ATOM 0 HG12 ILE B 41 -0.840 6.190 -3.887 1.00 0.00 H new ATOM 0 HG13 ILE B 41 -0.929 6.423 -5.621 1.00 0.00 H new ATOM 0 HG21 ILE B 41 -3.098 5.890 -6.849 1.00 0.00 H new ATOM 0 HG22 ILE B 41 -4.422 5.084 -5.974 1.00 0.00 H new ATOM 0 HG23 ILE B 41 -4.108 6.816 -5.714 1.00 0.00 H new ATOM 0 HD11 ILE B 41 -1.139 8.585 -4.434 1.00 0.00 H new ATOM 0 HD12 ILE B 41 -2.642 8.206 -5.307 1.00 0.00 H new ATOM 0 HD13 ILE B 41 -2.552 7.969 -3.546 1.00 0.00 H new ATOM 1667 N ALA B 42 -5.256 3.890 -3.669 1.00 0.00 N ATOM 1668 CA ALA B 42 -5.975 2.642 -3.478 1.00 0.00 C ATOM 1669 C ALA B 42 -6.653 2.243 -4.791 1.00 0.00 C ATOM 1670 O ALA B 42 -7.396 3.031 -5.374 1.00 0.00 O ATOM 1671 CB ALA B 42 -6.974 2.799 -2.330 1.00 0.00 C ATOM 0 H ALA B 42 -5.751 4.586 -4.227 1.00 0.00 H new ATOM 0 HA ALA B 42 -5.288 1.841 -3.205 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -7.514 1.863 -2.187 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -6.439 3.054 -1.415 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -7.682 3.593 -2.570 1.00 0.00 H new ATOM 1677 N THR B 43 -6.373 1.020 -5.217 1.00 0.00 N ATOM 1678 CA THR B 43 -6.946 0.508 -6.449 1.00 0.00 C ATOM 1679 C THR B 43 -8.386 0.047 -6.216 1.00 0.00 C ATOM 1680 O THR B 43 -8.696 -0.532 -5.176 1.00 0.00 O ATOM 1681 CB THR B 43 -6.031 -0.601 -6.972 1.00 0.00 C ATOM 1682 OG1 THR B 43 -4.854 0.087 -7.387 1.00 0.00 O ATOM 1683 CG2 THR B 43 -6.561 -1.242 -8.256 1.00 0.00 C ATOM 0 H THR B 43 -5.757 0.369 -4.730 1.00 0.00 H new ATOM 0 HA THR B 43 -7.005 1.286 -7.210 1.00 0.00 H new ATOM 0 HB THR B 43 -5.916 -1.367 -6.206 1.00 0.00 H new ATOM 0 HG1 THR B 43 -4.273 -0.528 -7.882 1.00 0.00 H new ATOM 0 HG21 THR B 43 -5.874 -2.022 -8.584 1.00 0.00 H new ATOM 0 HG22 THR B 43 -7.542 -1.678 -8.067 1.00 0.00 H new ATOM 0 HG23 THR B 43 -6.645 -0.483 -9.034 1.00 0.00 H new ATOM 1691 N LEU B 44 -9.229 0.322 -7.202 1.00 0.00 N ATOM 1692 CA LEU B 44 -10.629 -0.057 -7.117 1.00 0.00 C ATOM 1693 C LEU B 44 -10.811 -1.455 -7.712 1.00 0.00 C ATOM 1694 O LEU B 44 -10.058 -1.860 -8.596 1.00 0.00 O ATOM 1695 CB LEU B 44 -11.512 1.009 -7.769 1.00 0.00 C ATOM 1696 CG LEU B 44 -12.722 1.469 -6.951 1.00 0.00 C ATOM 1697 CD1 LEU B 44 -13.276 2.790 -7.488 1.00 0.00 C ATOM 1698 CD2 LEU B 44 -13.793 0.378 -6.896 1.00 0.00 C ATOM 0 H LEU B 44 -8.969 0.803 -8.063 1.00 0.00 H new ATOM 0 HA LEU B 44 -10.948 -0.109 -6.076 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -10.894 1.880 -7.988 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -11.869 0.623 -8.724 1.00 0.00 H new ATOM 0 HG LEU B 44 -12.394 1.650 -5.927 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -14.135 3.095 -6.890 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -12.504 3.558 -7.432 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -13.584 2.660 -8.525 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -14.641 0.730 -6.309 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -14.124 0.142 -7.907 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -13.378 -0.517 -6.432 1.00 0.00 H new ATOM 1710 N LYS B 45 -11.816 -2.153 -7.204 1.00 0.00 N ATOM 1711 CA LYS B 45 -12.107 -3.496 -7.674 1.00 0.00 C ATOM 1712 C LYS B 45 -12.761 -3.419 -9.055 1.00 0.00 C ATOM 1713 O LYS B 45 -13.013 -4.444 -9.685 1.00 0.00 O ATOM 1714 CB LYS B 45 -12.942 -4.256 -6.641 1.00 0.00 C ATOM 1715 CG LYS B 45 -13.082 -5.730 -7.026 1.00 0.00 C ATOM 1716 CD LYS B 45 -14.424 -5.992 -7.713 1.00 0.00 C ATOM 1717 CE LYS B 45 -15.218 -7.070 -6.972 1.00 0.00 C ATOM 1718 NZ LYS B 45 -16.657 -6.972 -7.302 1.00 0.00 N ATOM 0 H LYS B 45 -12.439 -1.813 -6.471 1.00 0.00 H new ATOM 0 HA LYS B 45 -11.185 -4.067 -7.789 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -12.474 -4.176 -5.660 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -13.930 -3.802 -6.561 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -12.267 -6.015 -7.691 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -12.998 -6.352 -6.135 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -15.004 -5.070 -7.751 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -14.254 -6.304 -8.744 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -14.843 -8.057 -7.243 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -15.077 -6.959 -5.897 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -17.181 -7.711 -6.791 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -17.015 -6.037 -7.022 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -16.788 -7.100 -8.326 1.00 0.00 H new ATOM 1732 N ASN B 46 -13.016 -2.192 -9.486 1.00 0.00 N ATOM 1733 CA ASN B 46 -13.635 -1.967 -10.781 1.00 0.00 C ATOM 1734 C ASN B 46 -12.554 -1.608 -11.802 1.00 0.00 C ATOM 1735 O ASN B 46 -12.828 -1.529 -12.999 1.00 0.00 O ATOM 1736 CB ASN B 46 -14.632 -0.808 -10.720 1.00 0.00 C ATOM 1737 CG ASN B 46 -14.553 0.050 -11.985 1.00 0.00 C ATOM 1738 OD1 ASN B 46 -14.119 1.289 -11.771 1.00 0.00 O flip ATOM 1739 ND2 ASN B 46 -14.865 -0.384 -13.081 1.00 0.00 N flip ATOM 0 H ASN B 46 -12.805 -1.343 -8.961 1.00 0.00 H new ATOM 0 HA ASN B 46 -14.159 -2.879 -11.068 1.00 0.00 H new ATOM 0 HB2 ASN B 46 -15.643 -1.199 -10.604 1.00 0.00 H new ATOM 0 HB3 ASN B 46 -14.426 -0.192 -9.845 1.00 0.00 H new ATOM 0 HD21 ASN B 46 -15.191 -1.346 -13.175 1.00 0.00 H new ATOM 0 HD22 ASN B 46 -14.800 0.215 -13.904 1.00 0.00 H new ATOM 1746 N GLY B 47 -11.349 -1.400 -11.293 1.00 0.00 N ATOM 1747 CA GLY B 47 -10.226 -1.051 -12.146 1.00 0.00 C ATOM 1748 C GLY B 47 -9.819 0.411 -11.947 1.00 0.00 C ATOM 1749 O GLY B 47 -8.777 0.841 -12.439 1.00 0.00 O ATOM 0 H GLY B 47 -11.126 -1.466 -10.300 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -9.380 -1.701 -11.923 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -10.491 -1.219 -13.190 1.00 0.00 H new ATOM 1753 N GLN B 48 -10.662 1.133 -11.224 1.00 0.00 N ATOM 1754 CA GLN B 48 -10.403 2.537 -10.954 1.00 0.00 C ATOM 1755 C GLN B 48 -9.450 2.682 -9.765 1.00 0.00 C ATOM 1756 O GLN B 48 -8.935 1.689 -9.254 1.00 0.00 O ATOM 1757 CB GLN B 48 -11.708 3.297 -10.706 1.00 0.00 C ATOM 1758 CG GLN B 48 -12.326 3.769 -12.023 1.00 0.00 C ATOM 1759 CD GLN B 48 -13.741 4.309 -11.803 1.00 0.00 C ATOM 1760 OE1 GLN B 48 -14.120 4.702 -10.712 1.00 0.00 O ATOM 1761 NE2 GLN B 48 -14.498 4.306 -12.896 1.00 0.00 N ATOM 0 H GLN B 48 -11.525 0.772 -10.817 1.00 0.00 H new ATOM 0 HA GLN B 48 -9.927 2.974 -11.832 1.00 0.00 H new ATOM 0 HB2 GLN B 48 -12.413 2.654 -10.179 1.00 0.00 H new ATOM 0 HB3 GLN B 48 -11.516 4.155 -10.062 1.00 0.00 H new ATOM 0 HG2 GLN B 48 -11.701 4.546 -12.464 1.00 0.00 H new ATOM 0 HG3 GLN B 48 -12.355 2.942 -12.732 1.00 0.00 H new ATOM 0 HE21 GLN B 48 -14.118 3.963 -13.778 1.00 0.00 H new ATOM 0 HE22 GLN B 48 -15.458 4.647 -12.852 1.00 0.00 H new ATOM 1770 N LYS B 49 -9.245 3.927 -9.361 1.00 0.00 N ATOM 1771 CA LYS B 49 -8.363 4.214 -8.243 1.00 0.00 C ATOM 1772 C LYS B 49 -8.899 5.424 -7.474 1.00 0.00 C ATOM 1773 O LYS B 49 -9.448 6.349 -8.070 1.00 0.00 O ATOM 1774 CB LYS B 49 -6.921 4.382 -8.727 1.00 0.00 C ATOM 1775 CG LYS B 49 -6.465 3.160 -9.526 1.00 0.00 C ATOM 1776 CD LYS B 49 -5.014 3.316 -9.985 1.00 0.00 C ATOM 1777 CE LYS B 49 -4.621 2.196 -10.951 1.00 0.00 C ATOM 1778 NZ LYS B 49 -3.188 2.297 -11.307 1.00 0.00 N ATOM 0 H LYS B 49 -9.674 4.748 -9.788 1.00 0.00 H new ATOM 0 HA LYS B 49 -8.345 3.375 -7.547 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -6.843 5.276 -9.346 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -6.261 4.529 -7.872 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -6.562 2.264 -8.914 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -7.112 3.026 -10.393 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -4.885 4.283 -10.472 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -4.352 3.304 -9.119 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -4.821 1.227 -10.494 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -5.231 2.255 -11.853 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -2.938 1.530 -11.963 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -3.007 3.214 -11.762 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -2.610 2.218 -10.446 1.00 0.00 H new ATOM 1792 N ALA B 50 -8.720 5.377 -6.162 1.00 0.00 N ATOM 1793 CA ALA B 50 -9.178 6.458 -5.305 1.00 0.00 C ATOM 1794 C ALA B 50 -8.036 6.893 -4.385 1.00 0.00 C ATOM 1795 O ALA B 50 -7.641 6.150 -3.487 1.00 0.00 O ATOM 1796 CB ALA B 50 -10.414 6.003 -4.527 1.00 0.00 C ATOM 0 H ALA B 50 -8.264 4.608 -5.671 1.00 0.00 H new ATOM 0 HA ALA B 50 -9.468 7.324 -5.900 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -10.758 6.813 -3.884 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -11.205 5.734 -5.226 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -10.161 5.137 -3.915 1.00 0.00 H new ATOM 1802 N CYS B 51 -7.538 8.094 -4.639 1.00 0.00 N ATOM 1803 CA CYS B 51 -6.450 8.636 -3.844 1.00 0.00 C ATOM 1804 C CYS B 51 -6.981 8.931 -2.440 1.00 0.00 C ATOM 1805 O CYS B 51 -8.079 9.465 -2.287 1.00 0.00 O ATOM 1806 CB CYS B 51 -5.838 9.878 -4.495 1.00 0.00 C ATOM 1807 SG CYS B 51 -4.363 9.556 -5.528 1.00 0.00 S ATOM 0 H CYS B 51 -7.868 8.707 -5.384 1.00 0.00 H new ATOM 0 HA CYS B 51 -5.644 7.905 -3.780 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -6.597 10.359 -5.111 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -5.568 10.586 -3.711 1.00 0.00 H new ATOM 1812 N LEU B 52 -6.177 8.571 -1.450 1.00 0.00 N ATOM 1813 CA LEU B 52 -6.552 8.790 -0.064 1.00 0.00 C ATOM 1814 C LEU B 52 -5.652 9.870 0.540 1.00 0.00 C ATOM 1815 O LEU B 52 -4.583 10.161 0.005 1.00 0.00 O ATOM 1816 CB LEU B 52 -6.535 7.471 0.711 1.00 0.00 C ATOM 1817 CG LEU B 52 -7.452 6.368 0.179 1.00 0.00 C ATOM 1818 CD1 LEU B 52 -7.012 4.995 0.691 1.00 0.00 C ATOM 1819 CD2 LEU B 52 -8.915 6.662 0.514 1.00 0.00 C ATOM 0 H LEU B 52 -5.267 8.129 -1.581 1.00 0.00 H new ATOM 0 HA LEU B 52 -7.576 9.157 -0.001 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -5.513 7.092 0.722 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -6.810 7.677 1.745 1.00 0.00 H new ATOM 0 HG LEU B 52 -7.368 6.349 -0.908 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -7.680 4.229 0.298 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -5.993 4.792 0.360 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -7.048 4.984 1.780 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -9.545 5.863 0.124 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -9.035 6.724 1.596 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -9.209 7.609 0.061 1.00 0.00 H new ATOM 1831 N ASN B 53 -6.117 10.433 1.645 1.00 0.00 N ATOM 1832 CA ASN B 53 -5.366 11.474 2.326 1.00 0.00 C ATOM 1833 C ASN B 53 -4.503 10.842 3.420 1.00 0.00 C ATOM 1834 O ASN B 53 -5.020 10.186 4.322 1.00 0.00 O ATOM 1835 CB ASN B 53 -6.304 12.485 2.990 1.00 0.00 C ATOM 1836 CG ASN B 53 -5.524 13.685 3.530 1.00 0.00 C ATOM 1837 OD1 ASN B 53 -4.597 14.184 2.914 1.00 0.00 O ATOM 1838 ND2 ASN B 53 -5.950 14.119 4.713 1.00 0.00 N ATOM 0 H ASN B 53 -7.004 10.188 2.086 1.00 0.00 H new ATOM 0 HA ASN B 53 -4.750 11.985 1.586 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -7.047 12.825 2.269 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -6.846 12.003 3.804 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -5.494 14.916 5.158 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -6.732 13.655 5.175 1.00 0.00 H new ATOM 1845 N PRO B 54 -3.167 11.068 3.299 1.00 0.00 N ATOM 1846 CA PRO B 54 -2.227 10.528 4.266 1.00 0.00 C ATOM 1847 C PRO B 54 -2.276 11.314 5.578 1.00 0.00 C ATOM 1848 O PRO B 54 -1.602 10.960 6.544 1.00 0.00 O ATOM 1849 CB PRO B 54 -0.872 10.601 3.581 1.00 0.00 C ATOM 1850 CG PRO B 54 -1.032 11.600 2.447 1.00 0.00 C ATOM 1851 CD PRO B 54 -2.519 11.840 2.243 1.00 0.00 C ATOM 0 HA PRO B 54 -2.460 9.502 4.551 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -0.099 10.922 4.279 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -0.573 9.624 3.202 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -0.524 12.534 2.687 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -0.578 11.216 1.533 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -2.763 12.899 2.320 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -2.842 11.509 1.256 1.00 0.00 H new ATOM 1859 N ALA B 55 -3.081 12.367 5.569 1.00 0.00 N ATOM 1860 CA ALA B 55 -3.227 13.206 6.746 1.00 0.00 C ATOM 1861 C ALA B 55 -4.547 12.872 7.445 1.00 0.00 C ATOM 1862 O ALA B 55 -5.025 13.641 8.276 1.00 0.00 O ATOM 1863 CB ALA B 55 -3.141 14.678 6.337 1.00 0.00 C ATOM 0 H ALA B 55 -3.638 12.658 4.766 1.00 0.00 H new ATOM 0 HA ALA B 55 -2.421 13.016 7.455 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -3.251 15.308 7.220 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -2.174 14.870 5.872 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -3.937 14.906 5.628 1.00 0.00 H new ATOM 1869 N SER B 56 -5.097 11.722 7.082 1.00 0.00 N ATOM 1870 CA SER B 56 -6.351 11.276 7.664 1.00 0.00 C ATOM 1871 C SER B 56 -6.122 10.014 8.498 1.00 0.00 C ATOM 1872 O SER B 56 -5.339 9.147 8.115 1.00 0.00 O ATOM 1873 CB SER B 56 -7.399 11.013 6.580 1.00 0.00 C ATOM 1874 OG SER B 56 -8.504 10.263 7.076 1.00 0.00 O ATOM 0 H SER B 56 -4.697 11.086 6.392 1.00 0.00 H new ATOM 0 HA SER B 56 -6.728 12.068 8.311 1.00 0.00 H new ATOM 0 HB2 SER B 56 -7.755 11.963 6.182 1.00 0.00 H new ATOM 0 HB3 SER B 56 -6.937 10.474 5.753 1.00 0.00 H new ATOM 0 HG SER B 56 -9.151 10.118 6.354 1.00 0.00 H new ATOM 1880 N PRO B 57 -6.838 9.951 9.653 1.00 0.00 N ATOM 1881 CA PRO B 57 -6.720 8.809 10.544 1.00 0.00 C ATOM 1882 C PRO B 57 -7.458 7.594 9.979 1.00 0.00 C ATOM 1883 O PRO B 57 -7.089 6.454 10.259 1.00 0.00 O ATOM 1884 CB PRO B 57 -7.289 9.286 11.870 1.00 0.00 C ATOM 1885 CG PRO B 57 -8.126 10.513 11.548 1.00 0.00 C ATOM 1886 CD PRO B 57 -7.775 10.959 10.138 1.00 0.00 C ATOM 0 HA PRO B 57 -5.690 8.474 10.665 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -7.897 8.510 12.336 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -6.492 9.531 12.572 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -9.188 10.281 11.622 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -7.924 11.311 12.262 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -8.662 11.011 9.507 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -7.324 11.951 10.137 1.00 0.00 H new ATOM 1894 N MET B 58 -8.486 7.878 9.194 1.00 0.00 N ATOM 1895 CA MET B 58 -9.279 6.822 8.587 1.00 0.00 C ATOM 1896 C MET B 58 -8.510 6.142 7.453 1.00 0.00 C ATOM 1897 O MET B 58 -8.775 4.987 7.123 1.00 0.00 O ATOM 1898 CB MET B 58 -10.581 7.411 8.040 1.00 0.00 C ATOM 1899 CG MET B 58 -11.653 6.330 7.894 1.00 0.00 C ATOM 1900 SD MET B 58 -12.805 6.426 9.255 1.00 0.00 S ATOM 1901 CE MET B 58 -11.704 6.084 10.618 1.00 0.00 C ATOM 0 H MET B 58 -8.789 8.824 8.964 1.00 0.00 H new ATOM 0 HA MET B 58 -9.500 6.075 9.350 1.00 0.00 H new ATOM 0 HB2 MET B 58 -10.938 8.195 8.708 1.00 0.00 H new ATOM 0 HB3 MET B 58 -10.395 7.877 7.072 1.00 0.00 H new ATOM 0 HG2 MET B 58 -12.182 6.456 6.949 1.00 0.00 H new ATOM 0 HG3 MET B 58 -11.187 5.345 7.870 1.00 0.00 H new ATOM 0 HE1 MET B 58 -12.286 5.929 11.526 1.00 0.00 H new ATOM 0 HE2 MET B 58 -11.124 5.187 10.401 1.00 0.00 H new ATOM 0 HE3 MET B 58 -11.028 6.927 10.760 1.00 0.00 H new ATOM 1911 N VAL B 59 -7.572 6.887 6.887 1.00 0.00 N ATOM 1912 CA VAL B 59 -6.762 6.371 5.796 1.00 0.00 C ATOM 1913 C VAL B 59 -5.752 5.363 6.350 1.00 0.00 C ATOM 1914 O VAL B 59 -5.136 4.616 5.591 1.00 0.00 O ATOM 1915 CB VAL B 59 -6.101 7.526 5.042 1.00 0.00 C ATOM 1916 CG1 VAL B 59 -4.849 7.053 4.301 1.00 0.00 C ATOM 1917 CG2 VAL B 59 -7.089 8.189 4.080 1.00 0.00 C ATOM 0 H VAL B 59 -7.355 7.844 7.163 1.00 0.00 H new ATOM 0 HA VAL B 59 -7.386 5.844 5.074 1.00 0.00 H new ATOM 0 HB VAL B 59 -5.794 8.272 5.775 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -4.399 7.894 3.773 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -4.133 6.649 5.017 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -5.121 6.279 3.584 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -6.594 9.007 3.557 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -7.440 7.454 3.355 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -7.938 8.579 4.642 1.00 0.00 H new ATOM 1927 N LYS B 60 -5.614 5.375 7.667 1.00 0.00 N ATOM 1928 CA LYS B 60 -4.689 4.472 8.331 1.00 0.00 C ATOM 1929 C LYS B 60 -5.459 3.261 8.862 1.00 0.00 C ATOM 1930 O LYS B 60 -4.881 2.389 9.509 1.00 0.00 O ATOM 1931 CB LYS B 60 -3.893 5.214 9.406 1.00 0.00 C ATOM 1932 CG LYS B 60 -3.359 6.545 8.872 1.00 0.00 C ATOM 1933 CD LYS B 60 -2.216 6.318 7.879 1.00 0.00 C ATOM 1934 CE LYS B 60 -0.887 6.119 8.610 1.00 0.00 C ATOM 1935 NZ LYS B 60 -0.298 7.426 8.980 1.00 0.00 N ATOM 0 H LYS B 60 -6.127 5.996 8.293 1.00 0.00 H new ATOM 0 HA LYS B 60 -3.950 4.096 7.623 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -4.527 5.394 10.274 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -3.062 4.593 9.742 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -4.164 7.095 8.386 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -3.009 7.160 9.701 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -2.432 5.444 7.264 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -2.140 7.171 7.205 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -1.044 5.518 9.505 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -0.194 5.568 7.974 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 0.604 7.273 9.475 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -0.130 7.987 8.120 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -0.953 7.938 9.605 1.00 0.00 H new ATOM 1949 N LYS B 61 -6.751 3.247 8.570 1.00 0.00 N ATOM 1950 CA LYS B 61 -7.606 2.157 9.010 1.00 0.00 C ATOM 1951 C LYS B 61 -8.173 1.434 7.787 1.00 0.00 C ATOM 1952 O LYS B 61 -8.685 0.321 7.902 1.00 0.00 O ATOM 1953 CB LYS B 61 -8.679 2.673 9.971 1.00 0.00 C ATOM 1954 CG LYS B 61 -8.050 3.462 11.122 1.00 0.00 C ATOM 1955 CD LYS B 61 -8.802 3.214 12.432 1.00 0.00 C ATOM 1956 CE LYS B 61 -8.072 3.856 13.613 1.00 0.00 C ATOM 1957 NZ LYS B 61 -7.686 2.828 14.605 1.00 0.00 N ATOM 0 H LYS B 61 -7.227 3.973 8.034 1.00 0.00 H new ATOM 0 HA LYS B 61 -7.029 1.425 9.575 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -9.381 3.308 9.431 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -9.250 1.834 10.369 1.00 0.00 H new ATOM 0 HG2 LYS B 61 -7.005 3.173 11.238 1.00 0.00 H new ATOM 0 HG3 LYS B 61 -8.062 4.526 10.887 1.00 0.00 H new ATOM 0 HD2 LYS B 61 -9.811 3.620 12.359 1.00 0.00 H new ATOM 0 HD3 LYS B 61 -8.902 2.142 12.601 1.00 0.00 H new ATOM 0 HE2 LYS B 61 -7.184 4.379 13.258 1.00 0.00 H new ATOM 0 HE3 LYS B 61 -8.714 4.601 14.083 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 -7.192 3.281 15.400 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 -8.539 2.347 14.956 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 -7.056 2.132 14.157 1.00 0.00 H new ATOM 1971 N ILE B 62 -8.062 2.094 6.644 1.00 0.00 N ATOM 1972 CA ILE B 62 -8.558 1.528 5.401 1.00 0.00 C ATOM 1973 C ILE B 62 -7.429 0.760 4.710 1.00 0.00 C ATOM 1974 O ILE B 62 -7.678 -0.045 3.814 1.00 0.00 O ATOM 1975 CB ILE B 62 -9.185 2.617 4.528 1.00 0.00 C ATOM 1976 CG1 ILE B 62 -10.296 3.350 5.281 1.00 0.00 C ATOM 1977 CG2 ILE B 62 -9.677 2.039 3.200 1.00 0.00 C ATOM 1978 CD1 ILE B 62 -10.425 4.796 4.797 1.00 0.00 C ATOM 0 H ILE B 62 -7.636 3.016 6.552 1.00 0.00 H new ATOM 0 HA ILE B 62 -9.356 0.813 5.600 1.00 0.00 H new ATOM 0 HB ILE B 62 -8.416 3.353 4.293 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -11.243 2.829 5.137 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -10.085 3.338 6.350 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -10.118 2.834 2.598 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -8.838 1.600 2.661 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -10.426 1.271 3.393 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -11.222 5.295 5.349 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -9.485 5.321 4.964 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -10.660 4.804 3.733 1.00 0.00 H new ATOM 1990 N ILE B 63 -6.211 1.036 5.153 1.00 0.00 N ATOM 1991 CA ILE B 63 -5.043 0.382 4.588 1.00 0.00 C ATOM 1992 C ILE B 63 -4.701 -0.853 5.425 1.00 0.00 C ATOM 1993 O ILE B 63 -4.633 -1.963 4.900 1.00 0.00 O ATOM 1994 CB ILE B 63 -3.886 1.373 4.454 1.00 0.00 C ATOM 1995 CG1 ILE B 63 -4.120 2.335 3.288 1.00 0.00 C ATOM 1996 CG2 ILE B 63 -2.548 0.641 4.333 1.00 0.00 C ATOM 1997 CD1 ILE B 63 -3.411 3.670 3.526 1.00 0.00 C ATOM 0 H ILE B 63 -6.008 1.704 5.897 1.00 0.00 H new ATOM 0 HA ILE B 63 -5.253 0.035 3.576 1.00 0.00 H new ATOM 0 HB ILE B 63 -3.844 1.973 5.363 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -3.757 1.886 2.363 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -5.189 2.505 3.161 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -1.742 1.369 4.239 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -2.385 0.032 5.222 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -2.562 -0.000 3.452 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -3.594 4.335 2.682 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -3.794 4.128 4.438 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -2.339 3.500 3.628 1.00 0.00 H new ATOM 2009 N GLU B 64 -4.495 -0.617 6.712 1.00 0.00 N ATOM 2010 CA GLU B 64 -4.162 -1.696 7.627 1.00 0.00 C ATOM 2011 C GLU B 64 -5.189 -2.824 7.513 1.00 0.00 C ATOM 2012 O GLU B 64 -4.842 -3.999 7.626 1.00 0.00 O ATOM 2013 CB GLU B 64 -4.066 -1.185 9.066 1.00 0.00 C ATOM 2014 CG GLU B 64 -2.898 -0.210 9.225 1.00 0.00 C ATOM 2015 CD GLU B 64 -3.109 0.707 10.431 1.00 0.00 C ATOM 2016 OE1 GLU B 64 -4.083 0.454 11.173 1.00 0.00 O ATOM 2017 OE2 GLU B 64 -2.292 1.640 10.584 1.00 0.00 O ATOM 0 H GLU B 64 -4.552 0.306 7.143 1.00 0.00 H new ATOM 0 HA GLU B 64 -3.184 -2.092 7.351 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -4.997 -0.691 9.343 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -3.937 -2.027 9.747 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -1.969 -0.767 9.345 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -2.795 0.390 8.321 1.00 0.00 H new ATOM 2024 N LYS B 65 -6.434 -2.428 7.290 1.00 0.00 N ATOM 2025 CA LYS B 65 -7.514 -3.392 7.159 1.00 0.00 C ATOM 2026 C LYS B 65 -7.368 -4.137 5.831 1.00 0.00 C ATOM 2027 O LYS B 65 -7.668 -5.328 5.748 1.00 0.00 O ATOM 2028 CB LYS B 65 -8.869 -2.704 7.333 1.00 0.00 C ATOM 2029 CG LYS B 65 -9.205 -2.520 8.815 1.00 0.00 C ATOM 2030 CD LYS B 65 -10.701 -2.265 9.010 1.00 0.00 C ATOM 2031 CE LYS B 65 -11.106 -2.473 10.471 1.00 0.00 C ATOM 2032 NZ LYS B 65 -12.545 -2.805 10.568 1.00 0.00 N ATOM 0 H LYS B 65 -6.719 -1.453 7.197 1.00 0.00 H new ATOM 0 HA LYS B 65 -7.457 -4.139 7.951 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -8.854 -1.734 6.837 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -9.646 -3.297 6.851 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -8.908 -3.409 9.372 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -8.634 -1.684 9.220 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -10.943 -1.248 8.703 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -11.274 -2.936 8.371 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -10.511 -3.275 10.909 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -10.896 -1.571 11.045 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -12.803 -2.943 11.566 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -13.108 -2.027 10.169 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -12.736 -3.679 10.037 1.00 0.00 H new ATOM 2046 N MET B 66 -6.909 -3.407 4.826 1.00 0.00 N ATOM 2047 CA MET B 66 -6.720 -3.984 3.506 1.00 0.00 C ATOM 2048 C MET B 66 -5.719 -5.141 3.552 1.00 0.00 C ATOM 2049 O MET B 66 -5.901 -6.151 2.873 1.00 0.00 O ATOM 2050 CB MET B 66 -6.212 -2.907 2.546 1.00 0.00 C ATOM 2051 CG MET B 66 -7.222 -2.653 1.424 1.00 0.00 C ATOM 2052 SD MET B 66 -7.305 -4.072 0.344 1.00 0.00 S ATOM 2053 CE MET B 66 -5.576 -4.256 -0.059 1.00 0.00 C ATOM 0 H MET B 66 -6.662 -2.420 4.899 1.00 0.00 H new ATOM 0 HA MET B 66 -7.678 -4.370 3.158 1.00 0.00 H new ATOM 0 HB2 MET B 66 -6.031 -1.982 3.094 1.00 0.00 H new ATOM 0 HB3 MET B 66 -5.258 -3.216 2.119 1.00 0.00 H new ATOM 0 HG2 MET B 66 -8.206 -2.450 1.848 1.00 0.00 H new ATOM 0 HG3 MET B 66 -6.932 -1.769 0.855 1.00 0.00 H new ATOM 0 HE1 MET B 66 -5.476 -4.566 -1.099 1.00 0.00 H new ATOM 0 HE2 MET B 66 -5.065 -3.304 0.087 1.00 0.00 H new ATOM 0 HE3 MET B 66 -5.130 -5.010 0.589 1.00 0.00 H new ATOM 2063 N LEU B 67 -4.685 -4.955 4.358 1.00 0.00 N ATOM 2064 CA LEU B 67 -3.655 -5.970 4.501 1.00 0.00 C ATOM 2065 C LEU B 67 -4.231 -7.173 5.250 1.00 0.00 C ATOM 2066 O LEU B 67 -3.645 -8.254 5.240 1.00 0.00 O ATOM 2067 CB LEU B 67 -2.406 -5.378 5.157 1.00 0.00 C ATOM 2068 CG LEU B 67 -1.515 -4.523 4.254 1.00 0.00 C ATOM 2069 CD1 LEU B 67 -2.320 -3.403 3.592 1.00 0.00 C ATOM 2070 CD2 LEU B 67 -0.309 -3.982 5.026 1.00 0.00 C ATOM 0 H LEU B 67 -4.538 -4.116 4.919 1.00 0.00 H new ATOM 0 HA LEU B 67 -3.334 -6.327 3.522 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -2.719 -4.770 6.006 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -1.807 -6.197 5.555 1.00 0.00 H new ATOM 0 HG LEU B 67 -1.129 -5.158 3.456 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -1.663 -2.810 2.956 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -3.117 -3.836 2.988 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -2.754 -2.764 4.361 1.00 0.00 H new ATOM 0 HD21 LEU B 67 0.308 -3.378 4.361 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -0.655 -3.368 5.857 1.00 0.00 H new ATOM 0 HD23 LEU B 67 0.280 -4.815 5.410 1.00 0.00 H new ATOM 2082 N LYS B 68 -5.374 -6.945 5.882 1.00 0.00 N ATOM 2083 CA LYS B 68 -6.036 -7.996 6.634 1.00 0.00 C ATOM 2084 C LYS B 68 -7.221 -8.527 5.826 1.00 0.00 C ATOM 2085 O LYS B 68 -7.654 -9.661 6.024 1.00 0.00 O ATOM 2086 CB LYS B 68 -6.417 -7.498 8.030 1.00 0.00 C ATOM 2087 CG LYS B 68 -5.358 -7.891 9.061 1.00 0.00 C ATOM 2088 CD LYS B 68 -5.964 -8.756 10.168 1.00 0.00 C ATOM 2089 CE LYS B 68 -5.062 -9.950 10.487 1.00 0.00 C ATOM 2090 NZ LYS B 68 -5.810 -10.975 11.249 1.00 0.00 N ATOM 0 H LYS B 68 -5.858 -6.047 5.888 1.00 0.00 H new ATOM 0 HA LYS B 68 -5.358 -8.834 6.794 1.00 0.00 H new ATOM 0 HB2 LYS B 68 -6.530 -6.414 8.015 1.00 0.00 H new ATOM 0 HB3 LYS B 68 -7.382 -7.915 8.318 1.00 0.00 H new ATOM 0 HG2 LYS B 68 -4.552 -8.435 8.570 1.00 0.00 H new ATOM 0 HG3 LYS B 68 -4.918 -6.993 9.496 1.00 0.00 H new ATOM 0 HD2 LYS B 68 -6.109 -8.155 11.066 1.00 0.00 H new ATOM 0 HD3 LYS B 68 -6.948 -9.111 9.860 1.00 0.00 H new ATOM 0 HE2 LYS B 68 -4.680 -10.382 9.562 1.00 0.00 H new ATOM 0 HE3 LYS B 68 -4.199 -9.618 11.064 1.00 0.00 H new ATOM 0 HZ1 LYS B 68 -5.184 -11.779 11.457 1.00 0.00 H new ATOM 0 HZ2 LYS B 68 -6.153 -10.563 12.140 1.00 0.00 H new ATOM 0 HZ3 LYS B 68 -6.620 -11.304 10.685 1.00 0.00 H new ATOM 2104 N ASN B 69 -7.712 -7.682 4.931 1.00 0.00 N ATOM 2105 CA ASN B 69 -8.839 -8.052 4.091 1.00 0.00 C ATOM 2106 C ASN B 69 -10.060 -8.321 4.973 1.00 0.00 C ATOM 2107 O ASN B 69 -10.957 -7.484 5.070 1.00 0.00 O ATOM 2108 CB ASN B 69 -8.540 -9.326 3.298 1.00 0.00 C ATOM 2109 CG ASN B 69 -9.796 -9.839 2.591 1.00 0.00 C ATOM 2110 OD1 ASN B 69 -10.634 -9.082 2.130 1.00 0.00 O ATOM 2111 ND2 ASN B 69 -9.879 -11.165 2.532 1.00 0.00 N ATOM 0 H ASN B 69 -7.350 -6.742 4.769 1.00 0.00 H new ATOM 0 HA ASN B 69 -9.027 -7.231 3.399 1.00 0.00 H new ATOM 0 HB2 ASN B 69 -7.760 -9.126 2.563 1.00 0.00 H new ATOM 0 HB3 ASN B 69 -8.156 -10.095 3.969 1.00 0.00 H new ATOM 0 HD21 ASN B 69 -10.680 -11.606 2.080 1.00 0.00 H new ATOM 0 HD22 ASN B 69 -9.142 -11.741 2.938 1.00 0.00 H new