USER MOD reduce.3.24.130724 H: found=0, std=0, add=1140, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1144 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 53 SER OG : rot -100:sc= -3.3! USER MOD Set 1.2: B 56 GLN : amide:sc= -1.49 K(o=-6.2,f=-6.9) USER MOD Set 1.3: B 87 GLN :FLIP amide:sc= -1.45 F(o=-11!,f=-6.2) USER MOD Set 2.1: B 46 TYR OH : rot 30:sc= 0.411 USER MOD Set 2.2: B 50 GLN :FLIP amide:sc= -9! C(o=-13!,f=-8.6!) USER MOD Set 3.1: B 34 LYS NZ :NH3+ -165:sc= -0.0535 (180deg=-0.208) USER MOD Set 3.2: B 36 HIS : no HD1:sc= 0.0818 K(o=0.028,f=-2.6) USER MOD Set 3.3: B 37 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: B 18 ASN : amide:sc= -0.472 K(o=-0.49,f=-1.5) USER MOD Set 4.2: B 30 GLN : amide:sc= -0.0193 K(o=-0.49,f=-1.7) USER MOD Set 5.1: A 46 GLN : amide:sc= -1.99 X(o=-0.99,f=-1) USER MOD Set 5.2: A 77 GLN : amide:sc= 1 X(o=-0.99,f=-1) USER MOD Set 6.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 44 MET CE :methyl -176:sc= -3.99 (180deg=-4.13) USER MOD Set 7.1: A 4 ASN : amide:sc= -1.99 K(o=-2.9,f=-11!) USER MOD Set 7.2: A 26 HIS :FLIP no HE2:sc= -0.935 F(o=-5.4!,f=-2.9) USER MOD Single : A 6 HIS :FLIP no HE2:sc= -3.49! C(o=-5!,f=-3.5!) USER MOD Single : A 8 ASN :FLIP amide:sc= -2.59 F(o=-4.4,f=-2.6) USER MOD Single : A 10 LYS NZ :NH3+ 143:sc= 0.643 (180deg=-0.186) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -2.72! C(o=-2.7!,f=-2.5!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 151:sc= -2.66 (180deg=-5.14!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 32:sc= -0.958 USER MOD Single : A 37 CYS SG : rot 80:sc= -5.78 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN :FLIP amide:sc= -0.74 F(o=-1.3,f=-0.74) USER MOD Single : A 57 ASN : amide:sc= -0.021 X(o=-0.021,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0227 USER MOD Single : A 61 THR OG1 : rot 113:sc= -0.404! USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 MET CE :methyl -140:sc= -11.6! (180deg=-14.8!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -3.34! USER MOD Single : A 78 GLN : amide:sc= -1.01 K(o=-1,f=-3.1!) USER MOD Single : B 14 ASN : amide:sc= -2.3! C(o=-2.3!,f=-2.6!) USER MOD Single : B 16 HIS :FLIP no HD1:sc= -0.618 F(o=-1.5,f=-0.62) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 27 SER OG : rot 180:sc= -0.672 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 SER OG : rot 180:sc= -2.11 USER MOD Single : B 41 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.345) USER MOD Single : B 43 MET CE :methyl 167:sc= -10! (180deg=-10.3!) USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 CYS SG : rot -110:sc= -4.31! USER MOD Single : B 54 MET CE :methyl -161:sc= -2.42! (180deg=-3.19) USER MOD Single : B 64 GLN : amide:sc= -7.47! C(o=-7.5!,f=-11!) USER MOD Single : B 67 ASN :FLIP amide:sc= -1.67 F(o=-2.7!,f=-1.7) USER MOD Single : B 69 THR OG1 : rot -67:sc= 0.299 USER MOD Single : B 71 THR OG1 : rot -89:sc= 1.11 USER MOD Single : B 74 GLN : amide:sc= -0.339 X(o=-0.34,f=-0.34) USER MOD Single : B 77 MET CE :methyl -168:sc= -10.9! (180deg=-11.3!) USER MOD Single : B 82 THR OG1 : rot 180:sc= -0.33 USER MOD Single : B 88 GLN : amide:sc= -0.0365 X(o=-0.036,f=0) USER MOD ----------------------------------------------------------------- ATOM 39 N ASN A 4 292.626 -13.752 -10.803 1.00 0.00 N ATOM 40 CA ASN A 4 292.499 -12.333 -10.509 1.00 0.00 C ATOM 41 C ASN A 4 291.166 -12.026 -9.833 1.00 0.00 C ATOM 42 O ASN A 4 290.763 -10.866 -9.742 1.00 0.00 O ATOM 43 CB ASN A 4 292.641 -11.505 -11.781 1.00 0.00 C ATOM 44 CG ASN A 4 293.535 -10.298 -11.588 1.00 0.00 C ATOM 45 OD1 ASN A 4 294.729 -10.433 -11.330 1.00 0.00 O ATOM 46 ND2 ASN A 4 292.959 -9.107 -11.712 1.00 0.00 N ATOM 0 HA ASN A 4 293.302 -12.065 -9.822 1.00 0.00 H new ATOM 0 HB2 ASN A 4 293.047 -12.131 -12.575 1.00 0.00 H new ATOM 0 HB3 ASN A 4 291.655 -11.175 -12.108 1.00 0.00 H new ATOM 0 HD21 ASN A 4 293.512 -8.258 -11.592 1.00 0.00 H new ATOM 0 HD22 ASN A 4 291.964 -9.042 -11.927 1.00 0.00 H new ATOM 53 N ASP A 5 290.505 -13.060 -9.320 1.00 0.00 N ATOM 54 CA ASP A 5 289.250 -12.877 -8.609 1.00 0.00 C ATOM 55 C ASP A 5 289.583 -12.523 -7.171 1.00 0.00 C ATOM 56 O ASP A 5 290.706 -12.102 -6.896 1.00 0.00 O ATOM 57 CB ASP A 5 288.400 -14.150 -8.667 1.00 0.00 C ATOM 58 CG ASP A 5 286.933 -13.854 -8.910 1.00 0.00 C ATOM 59 OD1 ASP A 5 286.233 -13.488 -7.943 1.00 0.00 O ATOM 60 OD2 ASP A 5 286.485 -13.988 -10.068 1.00 0.00 O ATOM 0 H ASP A 5 290.819 -14.028 -9.385 1.00 0.00 H new ATOM 0 HA ASP A 5 288.669 -12.080 -9.072 1.00 0.00 H new ATOM 0 HB2 ASP A 5 288.774 -14.797 -9.460 1.00 0.00 H new ATOM 0 HB3 ASP A 5 288.507 -14.698 -7.731 1.00 0.00 H new ATOM 65 N HIS A 6 288.654 -12.711 -6.241 1.00 0.00 N ATOM 66 CA HIS A 6 288.963 -12.411 -4.865 1.00 0.00 C ATOM 67 C HIS A 6 289.512 -13.626 -4.150 1.00 0.00 C ATOM 68 O HIS A 6 289.401 -14.759 -4.619 1.00 0.00 O ATOM 69 CB HIS A 6 287.762 -11.960 -4.055 1.00 0.00 C ATOM 70 CG HIS A 6 287.263 -10.585 -4.318 1.00 0.00 C ATOM 71 ND1 HIS A 6 287.283 -9.497 -3.522 1.00 0.00 N flip ATOM 72 CD2 HIS A 6 286.612 -10.214 -5.472 1.00 0.00 C flip ATOM 73 CE1 HIS A 6 286.645 -8.488 -4.200 1.00 0.00 C flip ATOM 74 NE2 HIS A 6 286.248 -8.948 -5.375 1.00 0.00 N flip ATOM 0 H HIS A 6 287.711 -13.059 -6.414 1.00 0.00 H new ATOM 0 HA HIS A 6 289.691 -11.602 -4.924 1.00 0.00 H new ATOM 0 HB2 HIS A 6 286.946 -12.660 -4.236 1.00 0.00 H new ATOM 0 HB3 HIS A 6 288.016 -12.034 -2.998 1.00 0.00 H new ATOM 0 HD1 HIS A 6 287.695 -9.435 -2.591 1.00 0.00 H new ATOM 0 HD2 HIS A 6 286.428 -10.855 -6.321 1.00 0.00 H new ATOM 0 HE1 HIS A 6 286.492 -7.483 -3.834 1.00 0.00 H new ATOM 83 N ILE A 7 290.043 -13.363 -2.973 1.00 0.00 N ATOM 84 CA ILE A 7 290.565 -14.387 -2.095 1.00 0.00 C ATOM 85 C ILE A 7 290.646 -13.805 -0.709 1.00 0.00 C ATOM 86 O ILE A 7 291.001 -12.641 -0.540 1.00 0.00 O ATOM 87 CB ILE A 7 291.946 -14.944 -2.527 1.00 0.00 C ATOM 88 CG1 ILE A 7 293.089 -14.214 -1.821 1.00 0.00 C ATOM 89 CG2 ILE A 7 292.125 -14.848 -4.027 1.00 0.00 C ATOM 90 CD1 ILE A 7 294.452 -14.686 -2.265 1.00 0.00 C ATOM 0 H ILE A 7 290.124 -12.419 -2.596 1.00 0.00 H new ATOM 0 HA ILE A 7 289.888 -15.240 -2.136 1.00 0.00 H new ATOM 0 HB ILE A 7 291.975 -15.994 -2.235 1.00 0.00 H new ATOM 0 HG12 ILE A 7 293.001 -13.144 -2.010 1.00 0.00 H new ATOM 0 HG13 ILE A 7 292.994 -14.356 -0.745 1.00 0.00 H new ATOM 0 HG21 ILE A 7 293.102 -15.245 -4.303 1.00 0.00 H new ATOM 0 HG22 ILE A 7 291.345 -15.425 -4.524 1.00 0.00 H new ATOM 0 HG23 ILE A 7 292.057 -13.805 -4.335 1.00 0.00 H new ATOM 0 HD11 ILE A 7 295.222 -14.131 -1.729 1.00 0.00 H new ATOM 0 HD12 ILE A 7 294.556 -15.750 -2.051 1.00 0.00 H new ATOM 0 HD13 ILE A 7 294.564 -14.519 -3.336 1.00 0.00 H new ATOM 102 N ASN A 8 290.278 -14.595 0.271 1.00 0.00 N ATOM 103 CA ASN A 8 290.266 -14.117 1.641 1.00 0.00 C ATOM 104 C ASN A 8 291.647 -14.244 2.286 1.00 0.00 C ATOM 105 O ASN A 8 292.318 -15.265 2.141 1.00 0.00 O ATOM 106 CB ASN A 8 289.237 -14.902 2.459 1.00 0.00 C ATOM 107 CG ASN A 8 288.287 -13.994 3.213 1.00 0.00 C ATOM 108 OD1 ASN A 8 288.841 -13.116 4.039 1.00 0.00 O flip ATOM 109 ND2 ASN A 8 287.069 -14.080 3.054 1.00 0.00 N flip ATOM 0 H ASN A 8 289.984 -15.565 0.152 1.00 0.00 H new ATOM 0 HA ASN A 8 289.993 -13.062 1.628 1.00 0.00 H new ATOM 0 HB2 ASN A 8 288.666 -15.550 1.794 1.00 0.00 H new ATOM 0 HB3 ASN A 8 289.756 -15.549 3.166 1.00 0.00 H new ATOM 0 HD21 ASN A 8 286.687 -14.770 2.408 1.00 0.00 H new ATOM 0 HD22 ASN A 8 286.443 -13.461 3.568 1.00 0.00 H new ATOM 116 N LEU A 9 292.062 -13.209 3.013 1.00 0.00 N ATOM 117 CA LEU A 9 293.337 -13.210 3.692 1.00 0.00 C ATOM 118 C LEU A 9 293.123 -13.090 5.175 1.00 0.00 C ATOM 119 O LEU A 9 292.308 -12.293 5.634 1.00 0.00 O ATOM 120 CB LEU A 9 294.204 -12.046 3.230 1.00 0.00 C ATOM 121 CG LEU A 9 295.082 -12.308 1.997 1.00 0.00 C ATOM 122 CD1 LEU A 9 294.986 -13.763 1.532 1.00 0.00 C ATOM 123 CD2 LEU A 9 294.694 -11.368 0.871 1.00 0.00 C ATOM 0 H LEU A 9 291.520 -12.354 3.142 1.00 0.00 H new ATOM 0 HA LEU A 9 293.842 -14.146 3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 9 293.554 -11.198 3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 9 294.851 -11.751 4.056 1.00 0.00 H new ATOM 0 HG LEU A 9 296.118 -12.121 2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 9 295.621 -13.908 0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 9 295.315 -14.424 2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 9 293.953 -13.995 1.272 1.00 0.00 H new ATOM 0 HD21 LEU A 9 295.323 -11.562 0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 9 293.649 -11.529 0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 9 294.831 -10.336 1.195 1.00 0.00 H new ATOM 135 N LYS A 10 293.868 -13.861 5.923 1.00 0.00 N ATOM 136 CA LYS A 10 293.761 -13.814 7.354 1.00 0.00 C ATOM 137 C LYS A 10 294.896 -13.001 7.907 1.00 0.00 C ATOM 138 O LYS A 10 296.033 -13.445 7.907 1.00 0.00 O ATOM 139 CB LYS A 10 293.837 -15.227 7.862 1.00 0.00 C ATOM 140 CG LYS A 10 292.611 -16.016 7.496 1.00 0.00 C ATOM 141 CD LYS A 10 292.816 -17.474 7.782 1.00 0.00 C ATOM 142 CE LYS A 10 293.495 -18.204 6.641 1.00 0.00 C ATOM 143 NZ LYS A 10 293.323 -19.679 6.746 1.00 0.00 N ATOM 0 H LYS A 10 294.553 -14.527 5.565 1.00 0.00 H new ATOM 0 HA LYS A 10 292.822 -13.355 7.664 1.00 0.00 H new ATOM 0 HB2 LYS A 10 294.720 -15.715 7.450 1.00 0.00 H new ATOM 0 HB3 LYS A 10 293.954 -15.218 8.946 1.00 0.00 H new ATOM 0 HG2 LYS A 10 291.753 -15.647 8.058 1.00 0.00 H new ATOM 0 HG3 LYS A 10 292.384 -15.876 6.439 1.00 0.00 H new ATOM 0 HD2 LYS A 10 293.416 -17.582 8.685 1.00 0.00 H new ATOM 0 HD3 LYS A 10 291.851 -17.940 7.983 1.00 0.00 H new ATOM 0 HE2 LYS A 10 293.085 -17.857 5.693 1.00 0.00 H new ATOM 0 HE3 LYS A 10 294.558 -17.962 6.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 293.201 -20.083 5.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 294.164 -20.096 7.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 292.483 -19.890 7.322 1.00 0.00 H new ATOM 157 N VAL A 11 294.605 -11.821 8.394 1.00 0.00 N ATOM 158 CA VAL A 11 295.652 -10.991 8.934 1.00 0.00 C ATOM 159 C VAL A 11 295.767 -11.236 10.429 1.00 0.00 C ATOM 160 O VAL A 11 294.797 -11.107 11.151 1.00 0.00 O ATOM 161 CB VAL A 11 295.442 -9.498 8.594 1.00 0.00 C ATOM 162 CG1 VAL A 11 294.025 -9.034 8.864 1.00 0.00 C ATOM 163 CG2 VAL A 11 296.437 -8.633 9.330 1.00 0.00 C ATOM 0 H VAL A 11 293.668 -11.418 8.428 1.00 0.00 H new ATOM 0 HA VAL A 11 296.597 -11.266 8.466 1.00 0.00 H new ATOM 0 HB VAL A 11 295.612 -9.393 7.522 1.00 0.00 H new ATOM 0 HG11 VAL A 11 293.933 -7.979 8.608 1.00 0.00 H new ATOM 0 HG12 VAL A 11 293.330 -9.616 8.259 1.00 0.00 H new ATOM 0 HG13 VAL A 11 293.792 -9.173 9.920 1.00 0.00 H new ATOM 0 HG21 VAL A 11 296.269 -7.587 9.074 1.00 0.00 H new ATOM 0 HG22 VAL A 11 296.312 -8.768 10.404 1.00 0.00 H new ATOM 0 HG23 VAL A 11 297.449 -8.918 9.043 1.00 0.00 H new ATOM 173 N ALA A 12 296.968 -11.585 10.875 1.00 0.00 N ATOM 174 CA ALA A 12 297.216 -11.861 12.287 1.00 0.00 C ATOM 175 C ALA A 12 297.910 -10.695 12.950 1.00 0.00 C ATOM 176 O ALA A 12 298.921 -10.214 12.462 1.00 0.00 O ATOM 177 CB ALA A 12 298.016 -13.144 12.452 1.00 0.00 C ATOM 0 H ALA A 12 297.789 -11.684 10.278 1.00 0.00 H new ATOM 0 HA ALA A 12 296.255 -12.000 12.782 1.00 0.00 H new ATOM 0 HB1 ALA A 12 298.190 -13.331 13.512 1.00 0.00 H new ATOM 0 HB2 ALA A 12 297.460 -13.977 12.023 1.00 0.00 H new ATOM 0 HB3 ALA A 12 298.973 -13.045 11.940 1.00 0.00 H new ATOM 183 N GLY A 13 297.373 -10.255 14.077 1.00 0.00 N ATOM 184 CA GLY A 13 297.966 -9.148 14.786 1.00 0.00 C ATOM 185 C GLY A 13 299.000 -9.591 15.790 1.00 0.00 C ATOM 186 O GLY A 13 299.050 -10.758 16.179 1.00 0.00 O ATOM 0 H GLY A 13 296.537 -10.646 14.511 1.00 0.00 H new ATOM 0 HA2 GLY A 13 298.428 -8.468 14.070 1.00 0.00 H new ATOM 0 HA3 GLY A 13 297.184 -8.588 15.298 1.00 0.00 H new ATOM 226 N SER A 17 295.498 -11.809 17.523 1.00 0.00 N ATOM 227 CA SER A 17 294.214 -11.719 16.859 1.00 0.00 C ATOM 228 C SER A 17 294.408 -11.490 15.371 1.00 0.00 C ATOM 229 O SER A 17 295.041 -10.522 14.955 1.00 0.00 O ATOM 230 CB SER A 17 293.381 -10.584 17.459 1.00 0.00 C ATOM 231 OG SER A 17 292.728 -11.003 18.645 1.00 0.00 O ATOM 0 HA SER A 17 293.682 -12.659 17.006 1.00 0.00 H new ATOM 0 HB2 SER A 17 294.025 -9.732 17.676 1.00 0.00 H new ATOM 0 HB3 SER A 17 292.642 -10.248 16.732 1.00 0.00 H new ATOM 0 HG SER A 17 292.204 -10.260 19.010 1.00 0.00 H new ATOM 237 N VAL A 18 293.839 -12.377 14.581 1.00 0.00 N ATOM 238 CA VAL A 18 293.910 -12.298 13.124 1.00 0.00 C ATOM 239 C VAL A 18 292.538 -11.887 12.569 1.00 0.00 C ATOM 240 O VAL A 18 291.543 -11.921 13.291 1.00 0.00 O ATOM 241 CB VAL A 18 294.382 -13.647 12.501 1.00 0.00 C ATOM 242 CG1 VAL A 18 294.128 -14.816 13.437 1.00 0.00 C ATOM 243 CG2 VAL A 18 293.741 -13.894 11.145 1.00 0.00 C ATOM 0 H VAL A 18 293.311 -13.179 14.926 1.00 0.00 H new ATOM 0 HA VAL A 18 294.649 -11.545 12.851 1.00 0.00 H new ATOM 0 HB VAL A 18 295.459 -13.566 12.352 1.00 0.00 H new ATOM 0 HG11 VAL A 18 294.470 -15.739 12.968 1.00 0.00 H new ATOM 0 HG12 VAL A 18 294.671 -14.660 14.369 1.00 0.00 H new ATOM 0 HG13 VAL A 18 293.061 -14.889 13.646 1.00 0.00 H new ATOM 0 HG21 VAL A 18 294.095 -14.843 10.743 1.00 0.00 H new ATOM 0 HG22 VAL A 18 292.657 -13.928 11.256 1.00 0.00 H new ATOM 0 HG23 VAL A 18 294.011 -13.088 10.463 1.00 0.00 H new ATOM 253 N VAL A 19 292.485 -11.489 11.297 1.00 0.00 N ATOM 254 CA VAL A 19 291.231 -11.066 10.684 1.00 0.00 C ATOM 255 C VAL A 19 291.156 -11.528 9.245 1.00 0.00 C ATOM 256 O VAL A 19 292.173 -11.648 8.574 1.00 0.00 O ATOM 257 CB VAL A 19 291.077 -9.542 10.701 1.00 0.00 C ATOM 258 CG1 VAL A 19 289.664 -9.128 10.304 1.00 0.00 C ATOM 259 CG2 VAL A 19 291.437 -8.990 12.061 1.00 0.00 C ATOM 0 H VAL A 19 293.293 -11.452 10.676 1.00 0.00 H new ATOM 0 HA VAL A 19 290.430 -11.517 11.270 1.00 0.00 H new ATOM 0 HB VAL A 19 291.764 -9.123 9.966 1.00 0.00 H new ATOM 0 HG11 VAL A 19 289.584 -8.041 10.325 1.00 0.00 H new ATOM 0 HG12 VAL A 19 289.448 -9.489 9.298 1.00 0.00 H new ATOM 0 HG13 VAL A 19 288.948 -9.558 11.005 1.00 0.00 H new ATOM 0 HG21 VAL A 19 291.322 -7.906 12.056 1.00 0.00 H new ATOM 0 HG22 VAL A 19 290.778 -9.421 12.815 1.00 0.00 H new ATOM 0 HG23 VAL A 19 292.471 -9.244 12.295 1.00 0.00 H new ATOM 269 N GLN A 20 289.955 -11.778 8.764 1.00 0.00 N ATOM 270 CA GLN A 20 289.791 -12.217 7.393 1.00 0.00 C ATOM 271 C GLN A 20 289.500 -11.041 6.483 1.00 0.00 C ATOM 272 O GLN A 20 288.697 -10.166 6.806 1.00 0.00 O ATOM 273 CB GLN A 20 288.694 -13.271 7.306 1.00 0.00 C ATOM 274 CG GLN A 20 288.898 -14.386 8.311 1.00 0.00 C ATOM 275 CD GLN A 20 289.077 -15.745 7.667 1.00 0.00 C ATOM 276 OE1 GLN A 20 288.623 -15.982 6.548 1.00 0.00 O ATOM 277 NE2 GLN A 20 289.745 -16.646 8.378 1.00 0.00 N ATOM 0 H GLN A 20 289.088 -11.686 9.294 1.00 0.00 H new ATOM 0 HA GLN A 20 290.724 -12.669 7.056 1.00 0.00 H new ATOM 0 HB2 GLN A 20 287.725 -12.801 7.477 1.00 0.00 H new ATOM 0 HB3 GLN A 20 288.672 -13.689 6.300 1.00 0.00 H new ATOM 0 HG2 GLN A 20 289.774 -14.162 8.920 1.00 0.00 H new ATOM 0 HG3 GLN A 20 288.042 -14.420 8.985 1.00 0.00 H new ATOM 0 HE21 GLN A 20 290.103 -16.403 9.302 1.00 0.00 H new ATOM 0 HE22 GLN A 20 289.900 -17.581 8.000 1.00 0.00 H new ATOM 286 N PHE A 21 290.159 -11.039 5.338 1.00 0.00 N ATOM 287 CA PHE A 21 289.988 -9.987 4.348 1.00 0.00 C ATOM 288 C PHE A 21 290.188 -10.542 2.964 1.00 0.00 C ATOM 289 O PHE A 21 291.300 -10.913 2.594 1.00 0.00 O ATOM 290 CB PHE A 21 291.009 -8.876 4.542 1.00 0.00 C ATOM 291 CG PHE A 21 290.799 -8.063 5.776 1.00 0.00 C ATOM 292 CD1 PHE A 21 289.815 -7.093 5.826 1.00 0.00 C ATOM 293 CD2 PHE A 21 291.588 -8.274 6.891 1.00 0.00 C ATOM 294 CE1 PHE A 21 289.623 -6.347 6.969 1.00 0.00 C ATOM 295 CE2 PHE A 21 291.402 -7.527 8.035 1.00 0.00 C ATOM 296 CZ PHE A 21 290.419 -6.564 8.073 1.00 0.00 C ATOM 0 H PHE A 21 290.825 -11.762 5.068 1.00 0.00 H new ATOM 0 HA PHE A 21 288.980 -9.591 4.470 1.00 0.00 H new ATOM 0 HB2 PHE A 21 292.006 -9.315 4.575 1.00 0.00 H new ATOM 0 HB3 PHE A 21 290.980 -8.215 3.675 1.00 0.00 H new ATOM 0 HD1 PHE A 21 289.191 -6.918 4.962 1.00 0.00 H new ATOM 0 HD2 PHE A 21 292.358 -9.031 6.866 1.00 0.00 H new ATOM 0 HE1 PHE A 21 288.850 -5.593 6.999 1.00 0.00 H new ATOM 0 HE2 PHE A 21 292.026 -7.697 8.900 1.00 0.00 H new ATOM 0 HZ PHE A 21 290.272 -5.978 8.968 1.00 0.00 H new ATOM 306 N LYS A 22 289.139 -10.555 2.181 1.00 0.00 N ATOM 307 CA LYS A 22 289.257 -11.031 0.825 1.00 0.00 C ATOM 308 C LYS A 22 289.215 -9.863 -0.122 1.00 0.00 C ATOM 309 O LYS A 22 288.329 -9.009 -0.055 1.00 0.00 O ATOM 310 CB LYS A 22 288.245 -12.122 0.500 1.00 0.00 C ATOM 311 CG LYS A 22 287.270 -11.742 -0.512 1.00 0.00 C ATOM 312 CD LYS A 22 286.216 -12.826 -0.683 1.00 0.00 C ATOM 313 CE LYS A 22 286.283 -13.472 -2.045 1.00 0.00 C ATOM 314 NZ LYS A 22 285.582 -14.785 -2.073 1.00 0.00 N ATOM 0 H LYS A 22 288.206 -10.246 2.453 1.00 0.00 H new ATOM 0 HA LYS A 22 290.224 -11.519 0.703 1.00 0.00 H new ATOM 0 HB2 LYS A 22 288.779 -13.009 0.160 1.00 0.00 H new ATOM 0 HB3 LYS A 22 287.717 -12.398 1.413 1.00 0.00 H new ATOM 0 HG2 LYS A 22 286.791 -10.805 -0.228 1.00 0.00 H new ATOM 0 HG3 LYS A 22 287.775 -11.567 -1.462 1.00 0.00 H new ATOM 0 HD2 LYS A 22 286.351 -13.587 0.086 1.00 0.00 H new ATOM 0 HD3 LYS A 22 285.226 -12.395 -0.535 1.00 0.00 H new ATOM 0 HE2 LYS A 22 285.837 -12.807 -2.784 1.00 0.00 H new ATOM 0 HE3 LYS A 22 287.326 -13.611 -2.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 285.651 -15.195 -3.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 286.023 -15.429 -1.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 284.581 -14.649 -1.827 1.00 0.00 H new ATOM 328 N ILE A 23 290.214 -9.817 -0.982 1.00 0.00 N ATOM 329 CA ILE A 23 290.349 -8.746 -1.931 1.00 0.00 C ATOM 330 C ILE A 23 291.066 -9.249 -3.175 1.00 0.00 C ATOM 331 O ILE A 23 292.105 -9.903 -3.088 1.00 0.00 O ATOM 332 CB ILE A 23 291.094 -7.538 -1.293 1.00 0.00 C ATOM 333 CG1 ILE A 23 292.150 -6.956 -2.242 1.00 0.00 C ATOM 334 CG2 ILE A 23 291.726 -7.937 0.037 1.00 0.00 C ATOM 335 CD1 ILE A 23 293.534 -6.839 -1.635 1.00 0.00 C ATOM 0 H ILE A 23 290.949 -10.522 -1.037 1.00 0.00 H new ATOM 0 HA ILE A 23 289.358 -8.399 -2.223 1.00 0.00 H new ATOM 0 HB ILE A 23 290.355 -6.758 -1.107 1.00 0.00 H new ATOM 0 HG12 ILE A 23 292.208 -7.583 -3.132 1.00 0.00 H new ATOM 0 HG13 ILE A 23 291.824 -5.968 -2.568 1.00 0.00 H new ATOM 0 HG21 ILE A 23 292.242 -7.078 0.467 1.00 0.00 H new ATOM 0 HG22 ILE A 23 290.949 -8.274 0.723 1.00 0.00 H new ATOM 0 HG23 ILE A 23 292.440 -8.744 -0.127 1.00 0.00 H new ATOM 0 HD11 ILE A 23 294.220 -6.419 -2.371 1.00 0.00 H new ATOM 0 HD12 ILE A 23 293.495 -6.187 -0.762 1.00 0.00 H new ATOM 0 HD13 ILE A 23 293.884 -7.827 -1.335 1.00 0.00 H new ATOM 347 N LYS A 24 290.471 -8.949 -4.320 1.00 0.00 N ATOM 348 CA LYS A 24 291.004 -9.370 -5.612 1.00 0.00 C ATOM 349 C LYS A 24 292.515 -9.560 -5.560 1.00 0.00 C ATOM 350 O LYS A 24 293.228 -8.764 -4.951 1.00 0.00 O ATOM 351 CB LYS A 24 290.607 -8.400 -6.681 1.00 0.00 C ATOM 352 CG LYS A 24 289.189 -8.676 -7.125 1.00 0.00 C ATOM 353 CD LYS A 24 288.578 -7.479 -7.784 1.00 0.00 C ATOM 354 CE LYS A 24 287.867 -6.607 -6.768 1.00 0.00 C ATOM 355 NZ LYS A 24 287.669 -5.216 -7.258 1.00 0.00 N ATOM 0 H LYS A 24 289.608 -8.409 -4.382 1.00 0.00 H new ATOM 0 HA LYS A 24 290.572 -10.340 -5.857 1.00 0.00 H new ATOM 0 HB2 LYS A 24 290.688 -7.380 -6.307 1.00 0.00 H new ATOM 0 HB3 LYS A 24 291.286 -8.483 -7.530 1.00 0.00 H new ATOM 0 HG2 LYS A 24 289.181 -9.518 -7.817 1.00 0.00 H new ATOM 0 HG3 LYS A 24 288.587 -8.966 -6.264 1.00 0.00 H new ATOM 0 HD2 LYS A 24 289.353 -6.901 -8.287 1.00 0.00 H new ATOM 0 HD3 LYS A 24 287.873 -7.801 -8.550 1.00 0.00 H new ATOM 0 HE2 LYS A 24 286.899 -7.047 -6.529 1.00 0.00 H new ATOM 0 HE3 LYS A 24 288.444 -6.586 -5.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 287.179 -4.658 -6.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 288.593 -4.785 -7.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 287.096 -5.232 -8.126 1.00 0.00 H new ATOM 369 N ARG A 25 292.992 -10.645 -6.151 1.00 0.00 N ATOM 370 CA ARG A 25 294.409 -10.980 -6.124 1.00 0.00 C ATOM 371 C ARG A 25 295.318 -9.837 -6.553 1.00 0.00 C ATOM 372 O ARG A 25 296.230 -9.465 -5.818 1.00 0.00 O ATOM 373 CB ARG A 25 294.667 -12.203 -6.996 1.00 0.00 C ATOM 374 CG ARG A 25 293.840 -13.410 -6.595 1.00 0.00 C ATOM 375 CD ARG A 25 294.387 -14.691 -7.204 1.00 0.00 C ATOM 376 NE ARG A 25 293.783 -15.880 -6.609 1.00 0.00 N ATOM 377 CZ ARG A 25 292.520 -16.249 -6.811 1.00 0.00 C ATOM 378 NH1 ARG A 25 291.730 -15.531 -7.600 1.00 0.00 N ATOM 379 NH2 ARG A 25 292.046 -17.341 -6.226 1.00 0.00 N ATOM 0 H ARG A 25 292.414 -11.314 -6.659 1.00 0.00 H new ATOM 0 HA ARG A 25 294.655 -11.193 -5.084 1.00 0.00 H new ATOM 0 HB2 ARG A 25 294.452 -11.952 -8.035 1.00 0.00 H new ATOM 0 HB3 ARG A 25 295.725 -12.462 -6.943 1.00 0.00 H new ATOM 0 HG2 ARG A 25 293.828 -13.499 -5.509 1.00 0.00 H new ATOM 0 HG3 ARG A 25 292.808 -13.267 -6.914 1.00 0.00 H new ATOM 0 HD2 ARG A 25 294.203 -14.689 -8.278 1.00 0.00 H new ATOM 0 HD3 ARG A 25 295.468 -14.726 -7.066 1.00 0.00 H new ATOM 0 HE ARG A 25 294.362 -16.461 -6.004 1.00 0.00 H new ATOM 0 HH11 ARG A 25 292.090 -14.692 -8.055 1.00 0.00 H new ATOM 0 HH12 ARG A 25 290.763 -15.818 -7.751 1.00 0.00 H new ATOM 0 HH21 ARG A 25 292.649 -17.898 -5.621 1.00 0.00 H new ATOM 0 HH22 ARG A 25 291.078 -17.623 -6.381 1.00 0.00 H new ATOM 393 N HIS A 26 295.101 -9.298 -7.742 1.00 0.00 N ATOM 394 CA HIS A 26 295.952 -8.223 -8.236 1.00 0.00 C ATOM 395 C HIS A 26 295.668 -6.893 -7.543 1.00 0.00 C ATOM 396 O HIS A 26 295.920 -5.832 -8.114 1.00 0.00 O ATOM 397 CB HIS A 26 295.807 -8.063 -9.748 1.00 0.00 C ATOM 398 CG HIS A 26 296.949 -8.651 -10.519 1.00 0.00 C ATOM 399 ND1 HIS A 26 297.283 -9.941 -10.767 1.00 0.00 N flip ATOM 400 CD2 HIS A 26 297.915 -7.883 -11.136 1.00 0.00 C flip ATOM 401 CE1 HIS A 26 298.432 -9.926 -11.519 1.00 0.00 C flip ATOM 402 NE2 HIS A 26 298.792 -8.674 -11.729 1.00 0.00 N flip ATOM 0 H HIS A 26 294.354 -9.581 -8.377 1.00 0.00 H new ATOM 0 HA HIS A 26 296.978 -8.506 -8.002 1.00 0.00 H new ATOM 0 HB2 HIS A 26 294.879 -8.536 -10.069 1.00 0.00 H new ATOM 0 HB3 HIS A 26 295.724 -7.003 -9.988 1.00 0.00 H new ATOM 0 HD1 HIS A 26 296.776 -10.768 -10.454 1.00 0.00 H new ATOM 0 HD2 HIS A 26 297.949 -6.804 -11.135 1.00 0.00 H new ATOM 0 HE1 HIS A 26 298.956 -10.798 -11.880 1.00 0.00 H new ATOM 411 N THR A 27 295.182 -6.937 -6.305 1.00 0.00 N ATOM 412 CA THR A 27 294.925 -5.711 -5.567 1.00 0.00 C ATOM 413 C THR A 27 295.990 -5.522 -4.502 1.00 0.00 C ATOM 414 O THR A 27 296.424 -6.484 -3.871 1.00 0.00 O ATOM 415 CB THR A 27 293.540 -5.724 -4.921 1.00 0.00 C ATOM 416 OG1 THR A 27 292.551 -5.557 -5.904 1.00 0.00 O ATOM 417 CG2 THR A 27 293.343 -4.622 -3.893 1.00 0.00 C ATOM 0 H THR A 27 294.962 -7.796 -5.801 1.00 0.00 H new ATOM 0 HA THR A 27 294.957 -4.880 -6.272 1.00 0.00 H new ATOM 0 HB THR A 27 293.458 -6.687 -4.417 1.00 0.00 H new ATOM 0 HG1 THR A 27 291.666 -5.568 -5.483 1.00 0.00 H new ATOM 0 HG21 THR A 27 292.339 -4.690 -3.474 1.00 0.00 H new ATOM 0 HG22 THR A 27 294.077 -4.733 -3.095 1.00 0.00 H new ATOM 0 HG23 THR A 27 293.472 -3.651 -4.371 1.00 0.00 H new ATOM 425 N PRO A 28 296.422 -4.280 -4.270 1.00 0.00 N ATOM 426 CA PRO A 28 297.430 -4.000 -3.264 1.00 0.00 C ATOM 427 C PRO A 28 296.916 -4.311 -1.873 1.00 0.00 C ATOM 428 O PRO A 28 295.864 -3.822 -1.460 1.00 0.00 O ATOM 429 CB PRO A 28 297.722 -2.505 -3.419 1.00 0.00 C ATOM 430 CG PRO A 28 297.053 -2.079 -4.685 1.00 0.00 C ATOM 431 CD PRO A 28 295.953 -3.063 -4.944 1.00 0.00 C ATOM 0 HA PRO A 28 298.322 -4.612 -3.395 1.00 0.00 H new ATOM 0 HB2 PRO A 28 297.338 -1.943 -2.568 1.00 0.00 H new ATOM 0 HB3 PRO A 28 298.795 -2.321 -3.465 1.00 0.00 H new ATOM 0 HG2 PRO A 28 296.654 -1.069 -4.591 1.00 0.00 H new ATOM 0 HG3 PRO A 28 297.763 -2.066 -5.512 1.00 0.00 H new ATOM 0 HD2 PRO A 28 295.002 -2.719 -4.537 1.00 0.00 H new ATOM 0 HD3 PRO A 28 295.803 -3.227 -6.011 1.00 0.00 H new ATOM 439 N LEU A 29 297.662 -5.135 -1.158 1.00 0.00 N ATOM 440 CA LEU A 29 297.289 -5.527 0.188 1.00 0.00 C ATOM 441 C LEU A 29 297.107 -4.316 1.091 1.00 0.00 C ATOM 442 O LEU A 29 296.476 -4.415 2.142 1.00 0.00 O ATOM 443 CB LEU A 29 298.322 -6.491 0.760 1.00 0.00 C ATOM 444 CG LEU A 29 298.373 -7.834 0.037 1.00 0.00 C ATOM 445 CD1 LEU A 29 299.753 -8.456 0.135 1.00 0.00 C ATOM 446 CD2 LEU A 29 297.313 -8.775 0.584 1.00 0.00 C ATOM 0 H LEU A 29 298.534 -5.547 -1.490 1.00 0.00 H new ATOM 0 HA LEU A 29 296.328 -6.038 0.140 1.00 0.00 H new ATOM 0 HB2 LEU A 29 299.306 -6.025 0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 29 298.101 -6.663 1.813 1.00 0.00 H new ATOM 0 HG LEU A 29 298.163 -7.659 -1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 29 299.759 -9.412 -0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 29 300.486 -7.789 -0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 29 300.007 -8.615 1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 29 297.365 -9.727 0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 29 297.486 -8.939 1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 29 296.326 -8.334 0.441 1.00 0.00 H new ATOM 458 N SER A 30 297.631 -3.160 0.672 1.00 0.00 N ATOM 459 CA SER A 30 297.482 -1.937 1.450 1.00 0.00 C ATOM 460 C SER A 30 296.013 -1.708 1.794 1.00 0.00 C ATOM 461 O SER A 30 295.690 -1.050 2.783 1.00 0.00 O ATOM 462 CB SER A 30 298.038 -0.737 0.677 1.00 0.00 C ATOM 463 OG SER A 30 297.457 0.477 1.125 1.00 0.00 O ATOM 0 H SER A 30 298.157 -3.050 -0.195 1.00 0.00 H new ATOM 0 HA SER A 30 298.048 -2.044 2.375 1.00 0.00 H new ATOM 0 HB2 SER A 30 299.120 -0.692 0.800 1.00 0.00 H new ATOM 0 HB3 SER A 30 297.843 -0.865 -0.388 1.00 0.00 H new ATOM 0 HG SER A 30 297.831 1.226 0.616 1.00 0.00 H new ATOM 469 N LYS A 31 295.126 -2.286 0.985 1.00 0.00 N ATOM 470 CA LYS A 31 293.698 -2.178 1.218 1.00 0.00 C ATOM 471 C LYS A 31 293.312 -3.115 2.350 1.00 0.00 C ATOM 472 O LYS A 31 292.592 -2.739 3.275 1.00 0.00 O ATOM 473 CB LYS A 31 292.935 -2.540 -0.054 1.00 0.00 C ATOM 474 CG LYS A 31 291.435 -2.350 0.057 1.00 0.00 C ATOM 475 CD LYS A 31 290.797 -2.226 -1.315 1.00 0.00 C ATOM 476 CE LYS A 31 290.733 -0.780 -1.770 1.00 0.00 C ATOM 477 NZ LYS A 31 289.337 -0.347 -2.054 1.00 0.00 N ATOM 0 H LYS A 31 295.378 -2.834 0.162 1.00 0.00 H new ATOM 0 HA LYS A 31 293.444 -1.154 1.492 1.00 0.00 H new ATOM 0 HB2 LYS A 31 293.309 -1.931 -0.877 1.00 0.00 H new ATOM 0 HB3 LYS A 31 293.142 -3.580 -0.307 1.00 0.00 H new ATOM 0 HG2 LYS A 31 290.997 -3.194 0.590 1.00 0.00 H new ATOM 0 HG3 LYS A 31 291.221 -1.456 0.643 1.00 0.00 H new ATOM 0 HD2 LYS A 31 291.367 -2.811 -2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 31 289.791 -2.645 -1.289 1.00 0.00 H new ATOM 0 HE2 LYS A 31 291.162 -0.138 -1.001 1.00 0.00 H new ATOM 0 HE3 LYS A 31 291.341 -0.654 -2.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 289.337 0.646 -2.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 288.935 -0.942 -2.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 288.762 -0.442 -1.193 1.00 0.00 H new ATOM 491 N LEU A 32 293.825 -4.339 2.271 1.00 0.00 N ATOM 492 CA LEU A 32 293.584 -5.362 3.279 1.00 0.00 C ATOM 493 C LEU A 32 294.060 -4.864 4.644 1.00 0.00 C ATOM 494 O LEU A 32 293.359 -5.009 5.646 1.00 0.00 O ATOM 495 CB LEU A 32 294.324 -6.638 2.843 1.00 0.00 C ATOM 496 CG LEU A 32 294.315 -7.842 3.791 1.00 0.00 C ATOM 497 CD1 LEU A 32 294.306 -9.115 2.976 1.00 0.00 C ATOM 498 CD2 LEU A 32 295.530 -7.817 4.697 1.00 0.00 C ATOM 0 H LEU A 32 294.421 -4.649 1.503 1.00 0.00 H new ATOM 0 HA LEU A 32 292.521 -5.583 3.371 1.00 0.00 H new ATOM 0 HB2 LEU A 32 293.900 -6.960 1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 32 295.364 -6.371 2.654 1.00 0.00 H new ATOM 0 HG LEU A 32 293.422 -7.797 4.415 1.00 0.00 H new ATOM 0 HD11 LEU A 32 294.300 -9.975 3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 32 293.416 -9.138 2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 32 295.196 -9.151 2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 32 295.505 -8.680 5.363 1.00 0.00 H new ATOM 0 HD22 LEU A 32 296.436 -7.851 4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 32 295.524 -6.902 5.289 1.00 0.00 H new ATOM 510 N MET A 33 295.253 -4.263 4.675 1.00 0.00 N ATOM 511 CA MET A 33 295.804 -3.734 5.922 1.00 0.00 C ATOM 512 C MET A 33 295.042 -2.496 6.379 1.00 0.00 C ATOM 513 O MET A 33 294.739 -2.346 7.561 1.00 0.00 O ATOM 514 CB MET A 33 297.300 -3.408 5.824 1.00 0.00 C ATOM 515 CG MET A 33 297.896 -3.607 4.461 1.00 0.00 C ATOM 516 SD MET A 33 299.477 -2.758 4.258 1.00 0.00 S ATOM 517 CE MET A 33 300.631 -4.103 4.509 1.00 0.00 C ATOM 0 H MET A 33 295.850 -4.132 3.858 1.00 0.00 H new ATOM 0 HA MET A 33 295.686 -4.528 6.660 1.00 0.00 H new ATOM 0 HB2 MET A 33 297.453 -2.372 6.125 1.00 0.00 H new ATOM 0 HB3 MET A 33 297.841 -4.030 6.537 1.00 0.00 H new ATOM 0 HG2 MET A 33 298.036 -4.673 4.283 1.00 0.00 H new ATOM 0 HG3 MET A 33 297.196 -3.247 3.707 1.00 0.00 H new ATOM 0 HE1 MET A 33 301.543 -3.910 3.944 1.00 0.00 H new ATOM 0 HE2 MET A 33 300.871 -4.183 5.569 1.00 0.00 H new ATOM 0 HE3 MET A 33 300.183 -5.036 4.167 1.00 0.00 H new ATOM 527 N LYS A 34 294.728 -1.614 5.435 1.00 0.00 N ATOM 528 CA LYS A 34 293.991 -0.394 5.753 1.00 0.00 C ATOM 529 C LYS A 34 292.703 -0.740 6.485 1.00 0.00 C ATOM 530 O LYS A 34 292.308 -0.056 7.428 1.00 0.00 O ATOM 531 CB LYS A 34 293.680 0.393 4.481 1.00 0.00 C ATOM 532 CG LYS A 34 294.782 1.358 4.080 1.00 0.00 C ATOM 533 CD LYS A 34 294.623 2.698 4.779 1.00 0.00 C ATOM 534 CE LYS A 34 294.814 3.856 3.815 1.00 0.00 C ATOM 535 NZ LYS A 34 295.167 5.117 4.524 1.00 0.00 N ATOM 0 H LYS A 34 294.970 -1.719 4.450 1.00 0.00 H new ATOM 0 HA LYS A 34 294.610 0.228 6.399 1.00 0.00 H new ATOM 0 HB2 LYS A 34 293.506 -0.307 3.664 1.00 0.00 H new ATOM 0 HB3 LYS A 34 292.755 0.951 4.626 1.00 0.00 H new ATOM 0 HG2 LYS A 34 295.753 0.929 4.328 1.00 0.00 H new ATOM 0 HG3 LYS A 34 294.765 1.504 3.000 1.00 0.00 H new ATOM 0 HD2 LYS A 34 293.633 2.759 5.230 1.00 0.00 H new ATOM 0 HD3 LYS A 34 295.348 2.775 5.589 1.00 0.00 H new ATOM 0 HE2 LYS A 34 295.600 3.608 3.102 1.00 0.00 H new ATOM 0 HE3 LYS A 34 293.899 4.006 3.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 295.289 5.883 3.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 294.406 5.368 5.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 296.054 4.983 5.051 1.00 0.00 H new ATOM 549 N ALA A 35 292.070 -1.829 6.062 1.00 0.00 N ATOM 550 CA ALA A 35 290.847 -2.296 6.694 1.00 0.00 C ATOM 551 C ALA A 35 291.177 -2.855 8.072 1.00 0.00 C ATOM 552 O ALA A 35 290.443 -2.644 9.038 1.00 0.00 O ATOM 553 CB ALA A 35 290.178 -3.352 5.824 1.00 0.00 C ATOM 0 H ALA A 35 292.387 -2.404 5.282 1.00 0.00 H new ATOM 0 HA ALA A 35 290.151 -1.465 6.808 1.00 0.00 H new ATOM 0 HB1 ALA A 35 289.263 -3.695 6.307 1.00 0.00 H new ATOM 0 HB2 ALA A 35 289.936 -2.923 4.852 1.00 0.00 H new ATOM 0 HB3 ALA A 35 290.855 -4.195 5.690 1.00 0.00 H new ATOM 559 N TYR A 36 292.317 -3.537 8.153 1.00 0.00 N ATOM 560 CA TYR A 36 292.796 -4.101 9.409 1.00 0.00 C ATOM 561 C TYR A 36 293.105 -2.981 10.384 1.00 0.00 C ATOM 562 O TYR A 36 292.787 -3.056 11.569 1.00 0.00 O ATOM 563 CB TYR A 36 294.074 -4.885 9.187 1.00 0.00 C ATOM 564 CG TYR A 36 294.525 -5.598 10.434 1.00 0.00 C ATOM 565 CD1 TYR A 36 293.674 -6.486 11.071 1.00 0.00 C ATOM 566 CD2 TYR A 36 295.786 -5.379 10.986 1.00 0.00 C ATOM 567 CE1 TYR A 36 294.063 -7.138 12.219 1.00 0.00 C ATOM 568 CE2 TYR A 36 296.180 -6.028 12.131 1.00 0.00 C ATOM 569 CZ TYR A 36 295.318 -6.909 12.747 1.00 0.00 C ATOM 570 OH TYR A 36 295.708 -7.560 13.895 1.00 0.00 O ATOM 0 H TYR A 36 292.929 -3.712 7.356 1.00 0.00 H new ATOM 0 HA TYR A 36 292.020 -4.758 9.803 1.00 0.00 H new ATOM 0 HB2 TYR A 36 293.919 -5.612 8.390 1.00 0.00 H new ATOM 0 HB3 TYR A 36 294.860 -4.208 8.852 1.00 0.00 H new ATOM 0 HD1 TYR A 36 292.692 -6.669 10.661 1.00 0.00 H new ATOM 0 HD2 TYR A 36 296.464 -4.688 10.506 1.00 0.00 H new ATOM 0 HE1 TYR A 36 293.388 -7.827 12.705 1.00 0.00 H new ATOM 0 HE2 TYR A 36 297.161 -5.849 12.546 1.00 0.00 H new ATOM 0 HH TYR A 36 295.284 -8.443 13.931 1.00 0.00 H new ATOM 580 N CYS A 37 293.718 -1.926 9.860 1.00 0.00 N ATOM 581 CA CYS A 37 294.057 -0.763 10.656 1.00 0.00 C ATOM 582 C CYS A 37 292.773 -0.096 11.106 1.00 0.00 C ATOM 583 O CYS A 37 292.653 0.381 12.234 1.00 0.00 O ATOM 584 CB CYS A 37 294.901 0.199 9.820 1.00 0.00 C ATOM 585 SG CYS A 37 296.677 -0.101 9.928 1.00 0.00 S ATOM 0 H CYS A 37 293.990 -1.857 8.879 1.00 0.00 H new ATOM 0 HA CYS A 37 294.637 -1.056 11.531 1.00 0.00 H new ATOM 0 HB2 CYS A 37 294.593 0.124 8.777 1.00 0.00 H new ATOM 0 HB3 CYS A 37 294.695 1.220 10.141 1.00 0.00 H new ATOM 0 HG CYS A 37 296.998 -1.091 9.149 1.00 0.00 H new ATOM 673 N SER A 43 297.935 2.139 13.057 1.00 0.00 N ATOM 674 CA SER A 43 298.384 3.328 12.340 1.00 0.00 C ATOM 675 C SER A 43 298.719 3.004 10.895 1.00 0.00 C ATOM 676 O SER A 43 298.754 3.887 10.038 1.00 0.00 O ATOM 677 CB SER A 43 299.628 3.900 13.015 1.00 0.00 C ATOM 678 OG SER A 43 300.336 4.766 12.144 1.00 0.00 O ATOM 0 HA SER A 43 297.573 4.056 12.360 1.00 0.00 H new ATOM 0 HB2 SER A 43 299.339 4.443 13.915 1.00 0.00 H new ATOM 0 HB3 SER A 43 300.280 3.085 13.330 1.00 0.00 H new ATOM 0 HG SER A 43 301.126 5.118 12.604 1.00 0.00 H new ATOM 684 N MET A 44 299.006 1.738 10.642 1.00 0.00 N ATOM 685 CA MET A 44 299.390 1.283 9.318 1.00 0.00 C ATOM 686 C MET A 44 300.845 1.675 9.046 1.00 0.00 C ATOM 687 O MET A 44 301.675 0.829 8.720 1.00 0.00 O ATOM 688 CB MET A 44 298.468 1.836 8.235 1.00 0.00 C ATOM 689 CG MET A 44 298.189 0.826 7.134 1.00 0.00 C ATOM 690 SD MET A 44 298.041 1.583 5.506 1.00 0.00 S ATOM 691 CE MET A 44 298.633 0.252 4.464 1.00 0.00 C ATOM 0 H MET A 44 298.979 1.000 11.346 1.00 0.00 H new ATOM 0 HA MET A 44 299.295 0.198 9.289 1.00 0.00 H new ATOM 0 HB2 MET A 44 297.526 2.144 8.688 1.00 0.00 H new ATOM 0 HB3 MET A 44 298.919 2.728 7.799 1.00 0.00 H new ATOM 0 HG2 MET A 44 298.991 0.088 7.114 1.00 0.00 H new ATOM 0 HG3 MET A 44 297.268 0.290 7.365 1.00 0.00 H new ATOM 0 HE1 MET A 44 298.670 0.590 3.428 1.00 0.00 H new ATOM 0 HE2 MET A 44 299.631 -0.045 4.785 1.00 0.00 H new ATOM 0 HE3 MET A 44 297.958 -0.600 4.544 1.00 0.00 H new ATOM 701 N ARG A 45 301.171 2.954 9.222 1.00 0.00 N ATOM 702 CA ARG A 45 302.547 3.401 9.036 1.00 0.00 C ATOM 703 C ARG A 45 303.402 2.796 10.147 1.00 0.00 C ATOM 704 O ARG A 45 304.589 2.520 9.977 1.00 0.00 O ATOM 705 CB ARG A 45 302.633 4.923 9.062 1.00 0.00 C ATOM 706 CG ARG A 45 303.503 5.502 7.960 1.00 0.00 C ATOM 707 CD ARG A 45 304.899 5.818 8.465 1.00 0.00 C ATOM 708 NE ARG A 45 305.679 6.569 7.484 1.00 0.00 N ATOM 709 CZ ARG A 45 307.010 6.597 7.457 1.00 0.00 C ATOM 710 NH1 ARG A 45 307.716 5.923 8.357 1.00 0.00 N ATOM 711 NH2 ARG A 45 307.638 7.303 6.526 1.00 0.00 N ATOM 0 H ARG A 45 300.513 3.687 9.488 1.00 0.00 H new ATOM 0 HA ARG A 45 302.912 3.071 8.063 1.00 0.00 H new ATOM 0 HB2 ARG A 45 301.628 5.337 8.975 1.00 0.00 H new ATOM 0 HB3 ARG A 45 303.026 5.240 10.028 1.00 0.00 H new ATOM 0 HG2 ARG A 45 303.565 4.794 7.133 1.00 0.00 H new ATOM 0 HG3 ARG A 45 303.042 6.409 7.569 1.00 0.00 H new ATOM 0 HD2 ARG A 45 304.829 6.392 9.389 1.00 0.00 H new ATOM 0 HD3 ARG A 45 305.416 4.889 8.705 1.00 0.00 H new ATOM 0 HE ARG A 45 305.174 7.104 6.778 1.00 0.00 H new ATOM 0 HH11 ARG A 45 307.239 5.379 9.076 1.00 0.00 H new ATOM 0 HH12 ARG A 45 308.735 5.949 8.330 1.00 0.00 H new ATOM 0 HH21 ARG A 45 307.101 7.823 5.832 1.00 0.00 H new ATOM 0 HH22 ARG A 45 308.658 7.325 6.504 1.00 0.00 H new ATOM 725 N GLN A 46 302.741 2.576 11.279 1.00 0.00 N ATOM 726 CA GLN A 46 303.340 1.979 12.465 1.00 0.00 C ATOM 727 C GLN A 46 303.199 0.463 12.427 1.00 0.00 C ATOM 728 O GLN A 46 303.637 -0.248 13.332 1.00 0.00 O ATOM 729 CB GLN A 46 302.601 2.496 13.673 1.00 0.00 C ATOM 730 CG GLN A 46 303.384 2.380 14.966 1.00 0.00 C ATOM 731 CD GLN A 46 302.994 1.161 15.770 1.00 0.00 C ATOM 732 OE1 GLN A 46 303.848 0.385 16.200 1.00 0.00 O ATOM 733 NE2 GLN A 46 301.697 0.985 15.976 1.00 0.00 N ATOM 0 H GLN A 46 301.756 2.812 11.399 1.00 0.00 H new ATOM 0 HA GLN A 46 304.398 2.237 12.505 1.00 0.00 H new ATOM 0 HB2 GLN A 46 302.342 3.542 13.509 1.00 0.00 H new ATOM 0 HB3 GLN A 46 301.664 1.948 13.776 1.00 0.00 H new ATOM 0 HG2 GLN A 46 304.449 2.337 14.739 1.00 0.00 H new ATOM 0 HG3 GLN A 46 303.222 3.275 15.567 1.00 0.00 H new ATOM 0 HE21 GLN A 46 301.025 1.655 15.600 1.00 0.00 H new ATOM 0 HE22 GLN A 46 301.370 0.180 16.510 1.00 0.00 H new ATOM 742 N ILE A 47 302.554 -0.002 11.376 1.00 0.00 N ATOM 743 CA ILE A 47 302.286 -1.413 11.166 1.00 0.00 C ATOM 744 C ILE A 47 302.966 -1.909 9.914 1.00 0.00 C ATOM 745 O ILE A 47 303.017 -1.219 8.896 1.00 0.00 O ATOM 746 CB ILE A 47 300.776 -1.621 10.973 1.00 0.00 C ATOM 747 CG1 ILE A 47 300.246 -2.938 11.514 1.00 0.00 C ATOM 748 CG2 ILE A 47 300.412 -1.527 9.512 1.00 0.00 C ATOM 749 CD1 ILE A 47 300.610 -4.154 10.747 1.00 0.00 C ATOM 0 H ILE A 47 302.196 0.597 10.632 1.00 0.00 H new ATOM 0 HA ILE A 47 302.658 -1.957 12.034 1.00 0.00 H new ATOM 0 HB ILE A 47 300.309 -0.825 11.552 1.00 0.00 H new ATOM 0 HG12 ILE A 47 300.604 -3.058 12.536 1.00 0.00 H new ATOM 0 HG13 ILE A 47 299.159 -2.876 11.563 1.00 0.00 H new ATOM 0 HG21 ILE A 47 299.339 -1.677 9.394 1.00 0.00 H new ATOM 0 HG22 ILE A 47 300.685 -0.543 9.132 1.00 0.00 H new ATOM 0 HG23 ILE A 47 300.949 -2.294 8.953 1.00 0.00 H new ATOM 0 HD11 ILE A 47 300.176 -5.031 11.228 1.00 0.00 H new ATOM 0 HD12 ILE A 47 300.227 -4.071 9.730 1.00 0.00 H new ATOM 0 HD13 ILE A 47 301.695 -4.255 10.719 1.00 0.00 H new ATOM 761 N ARG A 48 303.403 -3.130 9.970 1.00 0.00 N ATOM 762 CA ARG A 48 303.982 -3.775 8.834 1.00 0.00 C ATOM 763 C ARG A 48 303.347 -5.129 8.770 1.00 0.00 C ATOM 764 O ARG A 48 303.522 -5.942 9.679 1.00 0.00 O ATOM 765 CB ARG A 48 305.485 -3.917 8.973 1.00 0.00 C ATOM 766 CG ARG A 48 306.232 -2.652 8.623 1.00 0.00 C ATOM 767 CD ARG A 48 306.044 -2.320 7.156 1.00 0.00 C ATOM 768 NE ARG A 48 305.664 -0.925 6.950 1.00 0.00 N ATOM 769 CZ ARG A 48 306.526 0.089 6.975 1.00 0.00 C ATOM 770 NH1 ARG A 48 307.817 -0.134 7.192 1.00 0.00 N ATOM 771 NH2 ARG A 48 306.097 1.328 6.781 1.00 0.00 N ATOM 0 H ARG A 48 303.367 -3.709 10.809 1.00 0.00 H new ATOM 0 HA ARG A 48 303.809 -3.190 7.931 1.00 0.00 H new ATOM 0 HB2 ARG A 48 305.724 -4.202 9.997 1.00 0.00 H new ATOM 0 HB3 ARG A 48 305.829 -4.726 8.328 1.00 0.00 H new ATOM 0 HG2 ARG A 48 305.873 -1.827 9.239 1.00 0.00 H new ATOM 0 HG3 ARG A 48 307.293 -2.775 8.842 1.00 0.00 H new ATOM 0 HD2 ARG A 48 306.969 -2.526 6.617 1.00 0.00 H new ATOM 0 HD3 ARG A 48 305.277 -2.970 6.734 1.00 0.00 H new ATOM 0 HE ARG A 48 304.681 -0.716 6.777 1.00 0.00 H new ATOM 0 HH11 ARG A 48 308.152 -1.086 7.340 1.00 0.00 H new ATOM 0 HH12 ARG A 48 308.473 0.647 7.210 1.00 0.00 H new ATOM 0 HH21 ARG A 48 305.107 1.504 6.613 1.00 0.00 H new ATOM 0 HH22 ARG A 48 306.757 2.105 6.800 1.00 0.00 H new ATOM 785 N PHE A 49 302.618 -5.396 7.716 1.00 0.00 N ATOM 786 CA PHE A 49 301.995 -6.684 7.617 1.00 0.00 C ATOM 787 C PHE A 49 302.960 -7.615 6.966 1.00 0.00 C ATOM 788 O PHE A 49 303.687 -7.212 6.064 1.00 0.00 O ATOM 789 CB PHE A 49 300.726 -6.702 6.758 1.00 0.00 C ATOM 790 CG PHE A 49 299.569 -5.995 7.354 1.00 0.00 C ATOM 791 CD1 PHE A 49 299.731 -4.870 8.144 1.00 0.00 C ATOM 792 CD2 PHE A 49 298.300 -6.471 7.123 1.00 0.00 C ATOM 793 CE1 PHE A 49 298.657 -4.248 8.690 1.00 0.00 C ATOM 794 CE2 PHE A 49 297.215 -5.840 7.673 1.00 0.00 C ATOM 795 CZ PHE A 49 297.406 -4.723 8.465 1.00 0.00 C ATOM 0 H PHE A 49 302.446 -4.759 6.938 1.00 0.00 H new ATOM 0 HA PHE A 49 301.718 -6.970 8.632 1.00 0.00 H new ATOM 0 HB2 PHE A 49 300.951 -6.252 5.791 1.00 0.00 H new ATOM 0 HB3 PHE A 49 300.445 -7.738 6.570 1.00 0.00 H new ATOM 0 HD1 PHE A 49 300.723 -4.484 8.327 1.00 0.00 H new ATOM 0 HD2 PHE A 49 298.158 -7.346 6.506 1.00 0.00 H new ATOM 0 HE1 PHE A 49 298.798 -3.372 9.306 1.00 0.00 H new ATOM 0 HE2 PHE A 49 296.218 -6.213 7.489 1.00 0.00 H new ATOM 0 HZ PHE A 49 296.555 -4.226 8.907 1.00 0.00 H new ATOM 805 N ARG A 50 302.967 -8.848 7.379 1.00 0.00 N ATOM 806 CA ARG A 50 303.812 -9.822 6.768 1.00 0.00 C ATOM 807 C ARG A 50 302.930 -10.981 6.378 1.00 0.00 C ATOM 808 O ARG A 50 302.017 -11.339 7.094 1.00 0.00 O ATOM 809 CB ARG A 50 304.920 -10.293 7.699 1.00 0.00 C ATOM 810 CG ARG A 50 305.460 -11.634 7.270 1.00 0.00 C ATOM 811 CD ARG A 50 306.711 -12.044 8.000 1.00 0.00 C ATOM 812 NE ARG A 50 306.426 -12.880 9.165 1.00 0.00 N ATOM 813 CZ ARG A 50 307.359 -13.540 9.849 1.00 0.00 C ATOM 814 NH1 ARG A 50 308.635 -13.462 9.489 1.00 0.00 N ATOM 815 NH2 ARG A 50 307.016 -14.283 10.891 1.00 0.00 N ATOM 0 H ARG A 50 302.391 -9.202 8.143 1.00 0.00 H new ATOM 0 HA ARG A 50 304.309 -9.384 5.903 1.00 0.00 H new ATOM 0 HB2 ARG A 50 305.726 -9.560 7.709 1.00 0.00 H new ATOM 0 HB3 ARG A 50 304.538 -10.361 8.718 1.00 0.00 H new ATOM 0 HG2 ARG A 50 304.693 -12.392 7.428 1.00 0.00 H new ATOM 0 HG3 ARG A 50 305.666 -11.607 6.200 1.00 0.00 H new ATOM 0 HD2 ARG A 50 307.366 -12.587 7.318 1.00 0.00 H new ATOM 0 HD3 ARG A 50 307.251 -11.153 8.319 1.00 0.00 H new ATOM 0 HE ARG A 50 305.457 -12.963 9.472 1.00 0.00 H new ATOM 0 HH11 ARG A 50 308.904 -12.895 8.685 1.00 0.00 H new ATOM 0 HH12 ARG A 50 309.346 -13.969 10.016 1.00 0.00 H new ATOM 0 HH21 ARG A 50 306.037 -14.350 11.170 1.00 0.00 H new ATOM 0 HH22 ARG A 50 307.731 -14.788 11.414 1.00 0.00 H new ATOM 829 N PHE A 51 303.193 -11.542 5.237 1.00 0.00 N ATOM 830 CA PHE A 51 302.416 -12.651 4.733 1.00 0.00 C ATOM 831 C PHE A 51 303.114 -13.919 5.176 1.00 0.00 C ATOM 832 O PHE A 51 304.288 -13.875 5.529 1.00 0.00 O ATOM 833 CB PHE A 51 302.208 -12.544 3.212 1.00 0.00 C ATOM 834 CG PHE A 51 302.120 -13.851 2.459 1.00 0.00 C ATOM 835 CD1 PHE A 51 301.128 -14.768 2.751 1.00 0.00 C ATOM 836 CD2 PHE A 51 303.025 -14.152 1.454 1.00 0.00 C ATOM 837 CE1 PHE A 51 301.040 -15.963 2.062 1.00 0.00 C ATOM 838 CE2 PHE A 51 302.943 -15.345 0.760 1.00 0.00 C ATOM 839 CZ PHE A 51 301.950 -16.252 1.065 1.00 0.00 C ATOM 0 H PHE A 51 303.952 -11.249 4.622 1.00 0.00 H new ATOM 0 HA PHE A 51 301.405 -12.650 5.139 1.00 0.00 H new ATOM 0 HB2 PHE A 51 301.293 -11.981 3.030 1.00 0.00 H new ATOM 0 HB3 PHE A 51 303.029 -11.962 2.794 1.00 0.00 H new ATOM 0 HD1 PHE A 51 300.411 -14.548 3.528 1.00 0.00 H new ATOM 0 HD2 PHE A 51 303.805 -13.446 1.210 1.00 0.00 H new ATOM 0 HE1 PHE A 51 300.260 -16.670 2.303 1.00 0.00 H new ATOM 0 HE2 PHE A 51 303.656 -15.566 -0.020 1.00 0.00 H new ATOM 0 HZ PHE A 51 301.884 -17.185 0.526 1.00 0.00 H new ATOM 849 N ASP A 52 302.381 -15.019 5.218 1.00 0.00 N ATOM 850 CA ASP A 52 302.956 -16.273 5.693 1.00 0.00 C ATOM 851 C ASP A 52 304.385 -16.324 5.167 1.00 0.00 C ATOM 852 O ASP A 52 304.649 -16.649 4.010 1.00 0.00 O ATOM 853 CB ASP A 52 302.152 -17.472 5.191 1.00 0.00 C ATOM 854 CG ASP A 52 302.422 -18.727 5.998 1.00 0.00 C ATOM 855 OD1 ASP A 52 302.026 -18.768 7.182 1.00 0.00 O ATOM 856 OD2 ASP A 52 303.029 -19.669 5.446 1.00 0.00 O ATOM 0 H ASP A 52 301.403 -15.074 4.935 1.00 0.00 H new ATOM 0 HA ASP A 52 302.937 -16.318 6.782 1.00 0.00 H new ATOM 0 HB2 ASP A 52 301.089 -17.237 5.235 1.00 0.00 H new ATOM 0 HB3 ASP A 52 302.395 -17.657 4.145 1.00 0.00 H new ATOM 861 N GLY A 53 305.291 -15.917 6.064 1.00 0.00 N ATOM 862 CA GLY A 53 306.701 -15.817 5.759 1.00 0.00 C ATOM 863 C GLY A 53 306.978 -14.976 4.525 1.00 0.00 C ATOM 864 O GLY A 53 307.568 -15.463 3.561 1.00 0.00 O ATOM 0 H GLY A 53 305.055 -15.650 7.020 1.00 0.00 H new ATOM 0 HA2 GLY A 53 307.223 -15.384 6.613 1.00 0.00 H new ATOM 0 HA3 GLY A 53 307.108 -16.817 5.610 1.00 0.00 H new ATOM 868 N GLN A 54 306.577 -13.700 4.556 1.00 0.00 N ATOM 869 CA GLN A 54 306.810 -12.781 3.446 1.00 0.00 C ATOM 870 C GLN A 54 306.449 -11.362 3.889 1.00 0.00 C ATOM 871 O GLN A 54 305.372 -10.859 3.590 1.00 0.00 O ATOM 872 CB GLN A 54 305.998 -13.183 2.216 1.00 0.00 C ATOM 873 CG GLN A 54 306.774 -13.078 0.912 1.00 0.00 C ATOM 874 CD GLN A 54 308.084 -13.839 0.952 1.00 0.00 C ATOM 875 OE1 GLN A 54 309.166 -13.138 1.274 1.00 0.00 O flip ATOM 876 NE2 GLN A 54 308.125 -15.042 0.697 1.00 0.00 N flip ATOM 0 H GLN A 54 306.086 -13.282 5.346 1.00 0.00 H new ATOM 0 HA GLN A 54 307.863 -12.821 3.168 1.00 0.00 H new ATOM 0 HB2 GLN A 54 305.650 -14.208 2.340 1.00 0.00 H new ATOM 0 HB3 GLN A 54 305.112 -12.551 2.154 1.00 0.00 H new ATOM 0 HG2 GLN A 54 306.160 -13.460 0.096 1.00 0.00 H new ATOM 0 HG3 GLN A 54 306.974 -12.029 0.696 1.00 0.00 H new ATOM 0 HE21 GLN A 54 307.269 -15.541 0.454 1.00 0.00 H new ATOM 0 HE22 GLN A 54 309.015 -15.540 0.728 1.00 0.00 H new ATOM 885 N PRO A 55 307.374 -10.748 4.649 1.00 0.00 N ATOM 886 CA PRO A 55 307.283 -9.398 5.249 1.00 0.00 C ATOM 887 C PRO A 55 306.464 -8.331 4.499 1.00 0.00 C ATOM 888 O PRO A 55 306.907 -7.189 4.381 1.00 0.00 O ATOM 889 CB PRO A 55 308.733 -8.971 5.226 1.00 0.00 C ATOM 890 CG PRO A 55 309.543 -10.226 5.345 1.00 0.00 C ATOM 891 CD PRO A 55 308.641 -11.382 5.031 1.00 0.00 C ATOM 0 HA PRO A 55 306.767 -9.465 6.207 1.00 0.00 H new ATOM 0 HB2 PRO A 55 308.968 -8.443 4.302 1.00 0.00 H new ATOM 0 HB3 PRO A 55 308.950 -8.289 6.048 1.00 0.00 H new ATOM 0 HG2 PRO A 55 310.388 -10.202 4.657 1.00 0.00 H new ATOM 0 HG3 PRO A 55 309.953 -10.323 6.350 1.00 0.00 H new ATOM 0 HD2 PRO A 55 309.042 -11.993 4.222 1.00 0.00 H new ATOM 0 HD3 PRO A 55 308.516 -12.037 5.893 1.00 0.00 H new ATOM 899 N ILE A 56 305.308 -8.703 3.992 1.00 0.00 N ATOM 900 CA ILE A 56 304.406 -7.828 3.237 1.00 0.00 C ATOM 901 C ILE A 56 304.742 -6.341 3.138 1.00 0.00 C ATOM 902 O ILE A 56 305.244 -5.696 4.059 1.00 0.00 O ATOM 903 CB ILE A 56 302.978 -7.920 3.789 1.00 0.00 C ATOM 904 CG1 ILE A 56 302.406 -9.294 3.515 1.00 0.00 C ATOM 905 CG2 ILE A 56 302.090 -6.801 3.242 1.00 0.00 C ATOM 906 CD1 ILE A 56 301.007 -9.259 3.000 1.00 0.00 C ATOM 0 H ILE A 56 304.949 -9.652 4.092 1.00 0.00 H new ATOM 0 HA ILE A 56 304.525 -8.222 2.228 1.00 0.00 H new ATOM 0 HB ILE A 56 303.011 -7.780 4.869 1.00 0.00 H new ATOM 0 HG12 ILE A 56 303.040 -9.806 2.791 1.00 0.00 H new ATOM 0 HG13 ILE A 56 302.433 -9.881 4.433 1.00 0.00 H new ATOM 0 HG21 ILE A 56 301.086 -6.899 3.655 1.00 0.00 H new ATOM 0 HG22 ILE A 56 302.507 -5.834 3.525 1.00 0.00 H new ATOM 0 HG23 ILE A 56 302.044 -6.872 2.155 1.00 0.00 H new ATOM 0 HD11 ILE A 56 300.658 -10.277 2.825 1.00 0.00 H new ATOM 0 HD12 ILE A 56 300.361 -8.775 3.733 1.00 0.00 H new ATOM 0 HD13 ILE A 56 300.977 -8.699 2.065 1.00 0.00 H new ATOM 918 N ASN A 57 304.346 -5.835 1.976 1.00 0.00 N ATOM 919 CA ASN A 57 304.459 -4.437 1.614 1.00 0.00 C ATOM 920 C ASN A 57 303.064 -3.838 1.497 1.00 0.00 C ATOM 921 O ASN A 57 302.068 -4.530 1.703 1.00 0.00 O ATOM 922 CB ASN A 57 305.197 -4.300 0.295 1.00 0.00 C ATOM 923 CG ASN A 57 306.667 -3.969 0.477 1.00 0.00 C ATOM 924 OD1 ASN A 57 307.185 -3.038 -0.139 1.00 0.00 O ATOM 925 ND2 ASN A 57 307.348 -4.731 1.327 1.00 0.00 N ATOM 0 H ASN A 57 303.926 -6.406 1.243 1.00 0.00 H new ATOM 0 HA ASN A 57 305.020 -3.905 2.383 1.00 0.00 H new ATOM 0 HB2 ASN A 57 305.105 -5.230 -0.266 1.00 0.00 H new ATOM 0 HB3 ASN A 57 304.724 -3.520 -0.302 1.00 0.00 H new ATOM 0 HD21 ASN A 57 308.339 -4.554 1.489 1.00 0.00 H new ATOM 0 HD22 ASN A 57 306.879 -5.493 1.817 1.00 0.00 H new ATOM 932 N GLU A 58 302.989 -2.560 1.165 1.00 0.00 N ATOM 933 CA GLU A 58 301.702 -1.898 1.025 1.00 0.00 C ATOM 934 C GLU A 58 301.093 -2.185 -0.342 1.00 0.00 C ATOM 935 O GLU A 58 299.878 -2.322 -0.477 1.00 0.00 O ATOM 936 CB GLU A 58 301.855 -0.389 1.229 1.00 0.00 C ATOM 937 CG GLU A 58 301.421 0.083 2.606 1.00 0.00 C ATOM 938 CD GLU A 58 301.377 1.594 2.717 1.00 0.00 C ATOM 939 OE1 GLU A 58 302.442 2.203 2.950 1.00 0.00 O ATOM 940 OE2 GLU A 58 300.278 2.169 2.571 1.00 0.00 O ATOM 0 H GLU A 58 303.797 -1.963 0.988 1.00 0.00 H new ATOM 0 HA GLU A 58 301.031 -2.290 1.790 1.00 0.00 H new ATOM 0 HB2 GLU A 58 302.897 -0.113 1.071 1.00 0.00 H new ATOM 0 HB3 GLU A 58 301.269 0.133 0.473 1.00 0.00 H new ATOM 0 HG2 GLU A 58 300.435 -0.323 2.831 1.00 0.00 H new ATOM 0 HG3 GLU A 58 302.107 -0.313 3.355 1.00 0.00 H new ATOM 947 N THR A 59 301.944 -2.259 -1.355 1.00 0.00 N ATOM 948 CA THR A 59 301.485 -2.507 -2.716 1.00 0.00 C ATOM 949 C THR A 59 301.406 -4.000 -3.035 1.00 0.00 C ATOM 950 O THR A 59 300.679 -4.408 -3.942 1.00 0.00 O ATOM 951 CB THR A 59 302.410 -1.804 -3.706 1.00 0.00 C ATOM 952 OG1 THR A 59 303.767 -2.057 -3.390 1.00 0.00 O ATOM 953 CG2 THR A 59 302.213 -0.304 -3.728 1.00 0.00 C ATOM 0 H THR A 59 302.954 -2.151 -1.262 1.00 0.00 H new ATOM 0 HA THR A 59 300.476 -2.105 -2.805 1.00 0.00 H new ATOM 0 HB THR A 59 302.156 -2.207 -4.686 1.00 0.00 H new ATOM 0 HG1 THR A 59 304.344 -1.600 -4.037 1.00 0.00 H new ATOM 0 HG21 THR A 59 302.897 0.142 -4.450 1.00 0.00 H new ATOM 0 HG22 THR A 59 301.186 -0.076 -4.013 1.00 0.00 H new ATOM 0 HG23 THR A 59 302.414 0.104 -2.737 1.00 0.00 H new ATOM 961 N ASP A 60 302.156 -4.809 -2.295 1.00 0.00 N ATOM 962 CA ASP A 60 302.163 -6.255 -2.516 1.00 0.00 C ATOM 963 C ASP A 60 300.743 -6.816 -2.555 1.00 0.00 C ATOM 964 O ASP A 60 299.907 -6.466 -1.723 1.00 0.00 O ATOM 965 CB ASP A 60 302.963 -6.961 -1.421 1.00 0.00 C ATOM 966 CG ASP A 60 304.438 -7.063 -1.755 1.00 0.00 C ATOM 967 OD1 ASP A 60 304.894 -6.334 -2.661 1.00 0.00 O ATOM 968 OD2 ASP A 60 305.138 -7.873 -1.111 1.00 0.00 O ATOM 0 H ASP A 60 302.765 -4.493 -1.540 1.00 0.00 H new ATOM 0 HA ASP A 60 302.635 -6.438 -3.481 1.00 0.00 H new ATOM 0 HB2 ASP A 60 302.843 -6.421 -0.482 1.00 0.00 H new ATOM 0 HB3 ASP A 60 302.558 -7.961 -1.267 1.00 0.00 H new ATOM 973 N THR A 61 300.479 -7.690 -3.525 1.00 0.00 N ATOM 974 CA THR A 61 299.159 -8.302 -3.664 1.00 0.00 C ATOM 975 C THR A 61 299.230 -9.814 -3.517 1.00 0.00 C ATOM 976 O THR A 61 300.249 -10.432 -3.816 1.00 0.00 O ATOM 977 CB THR A 61 298.518 -7.959 -5.010 1.00 0.00 C ATOM 978 OG1 THR A 61 298.853 -8.925 -5.997 1.00 0.00 O ATOM 979 CG2 THR A 61 298.902 -6.593 -5.541 1.00 0.00 C ATOM 0 H THR A 61 301.159 -7.989 -4.224 1.00 0.00 H new ATOM 0 HA THR A 61 298.542 -7.894 -2.864 1.00 0.00 H new ATOM 0 HB THR A 61 297.446 -7.956 -4.815 1.00 0.00 H new ATOM 0 HG1 THR A 61 298.049 -9.425 -6.251 1.00 0.00 H new ATOM 0 HG21 THR A 61 298.408 -6.423 -6.498 1.00 0.00 H new ATOM 0 HG22 THR A 61 298.592 -5.826 -4.831 1.00 0.00 H new ATOM 0 HG23 THR A 61 299.982 -6.546 -5.677 1.00 0.00 H new ATOM 987 N PRO A 62 298.123 -10.427 -3.072 1.00 0.00 N ATOM 988 CA PRO A 62 298.031 -11.880 -2.903 1.00 0.00 C ATOM 989 C PRO A 62 298.632 -12.625 -4.095 1.00 0.00 C ATOM 990 O PRO A 62 299.391 -13.570 -3.916 1.00 0.00 O ATOM 991 CB PRO A 62 296.520 -12.100 -2.832 1.00 0.00 C ATOM 992 CG PRO A 62 295.998 -10.864 -2.197 1.00 0.00 C ATOM 993 CD PRO A 62 296.858 -9.749 -2.720 1.00 0.00 C ATOM 0 HA PRO A 62 298.576 -12.249 -2.034 1.00 0.00 H new ATOM 0 HB2 PRO A 62 296.093 -12.248 -3.824 1.00 0.00 H new ATOM 0 HB3 PRO A 62 296.274 -12.984 -2.243 1.00 0.00 H new ATOM 0 HG2 PRO A 62 294.950 -10.704 -2.452 1.00 0.00 H new ATOM 0 HG3 PRO A 62 296.055 -10.927 -1.110 1.00 0.00 H new ATOM 0 HD2 PRO A 62 296.406 -9.266 -3.587 1.00 0.00 H new ATOM 0 HD3 PRO A 62 297.013 -8.975 -1.968 1.00 0.00 H new ATOM 1001 N ALA A 63 298.327 -12.174 -5.316 1.00 0.00 N ATOM 1002 CA ALA A 63 298.878 -12.786 -6.521 1.00 0.00 C ATOM 1003 C ALA A 63 300.365 -12.581 -6.554 1.00 0.00 C ATOM 1004 O ALA A 63 301.156 -13.486 -6.821 1.00 0.00 O ATOM 1005 CB ALA A 63 298.315 -12.093 -7.731 1.00 0.00 C ATOM 0 H ALA A 63 297.702 -11.388 -5.492 1.00 0.00 H new ATOM 0 HA ALA A 63 298.629 -13.847 -6.520 1.00 0.00 H new ATOM 0 HB1 ALA A 63 298.724 -12.547 -8.634 1.00 0.00 H new ATOM 0 HB2 ALA A 63 297.230 -12.192 -7.735 1.00 0.00 H new ATOM 0 HB3 ALA A 63 298.583 -11.037 -7.703 1.00 0.00 H new ATOM 1011 N GLN A 64 300.706 -11.352 -6.244 1.00 0.00 N ATOM 1012 CA GLN A 64 302.065 -10.895 -6.175 1.00 0.00 C ATOM 1013 C GLN A 64 302.790 -11.616 -5.052 1.00 0.00 C ATOM 1014 O GLN A 64 304.017 -11.607 -4.960 1.00 0.00 O ATOM 1015 CB GLN A 64 302.009 -9.401 -5.899 1.00 0.00 C ATOM 1016 CG GLN A 64 302.647 -8.555 -6.974 1.00 0.00 C ATOM 1017 CD GLN A 64 304.155 -8.706 -7.026 1.00 0.00 C ATOM 1018 OE1 GLN A 64 304.686 -9.471 -7.830 1.00 0.00 O ATOM 1019 NE2 GLN A 64 304.852 -7.974 -6.165 1.00 0.00 N ATOM 0 H GLN A 64 300.023 -10.626 -6.028 1.00 0.00 H new ATOM 0 HA GLN A 64 302.602 -11.096 -7.102 1.00 0.00 H new ATOM 0 HB2 GLN A 64 300.967 -9.101 -5.785 1.00 0.00 H new ATOM 0 HB3 GLN A 64 302.504 -9.198 -4.949 1.00 0.00 H new ATOM 0 HG2 GLN A 64 302.226 -8.828 -7.942 1.00 0.00 H new ATOM 0 HG3 GLN A 64 302.397 -7.508 -6.801 1.00 0.00 H new ATOM 0 HE21 GLN A 64 304.369 -7.353 -5.516 1.00 0.00 H new ATOM 0 HE22 GLN A 64 305.870 -8.033 -6.153 1.00 0.00 H new ATOM 1028 N LEU A 65 301.988 -12.210 -4.185 1.00 0.00 N ATOM 1029 CA LEU A 65 302.465 -12.920 -3.027 1.00 0.00 C ATOM 1030 C LEU A 65 302.100 -14.398 -3.093 1.00 0.00 C ATOM 1031 O LEU A 65 302.311 -15.148 -2.139 1.00 0.00 O ATOM 1032 CB LEU A 65 301.827 -12.255 -1.819 1.00 0.00 C ATOM 1033 CG LEU A 65 302.380 -10.869 -1.508 1.00 0.00 C ATOM 1034 CD1 LEU A 65 301.925 -10.395 -0.147 1.00 0.00 C ATOM 1035 CD2 LEU A 65 303.891 -10.873 -1.596 1.00 0.00 C ATOM 0 H LEU A 65 300.972 -12.208 -4.274 1.00 0.00 H new ATOM 0 HA LEU A 65 303.553 -12.877 -2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 65 300.753 -12.177 -1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 65 301.969 -12.895 -0.948 1.00 0.00 H new ATOM 0 HG LEU A 65 301.991 -10.173 -2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 65 302.334 -9.404 0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 65 300.836 -10.349 -0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 65 302.276 -11.090 0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 65 304.271 -9.876 -1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 65 304.295 -11.586 -0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 65 304.196 -11.159 -2.602 1.00 0.00 H new ATOM 1047 N GLU A 66 301.537 -14.803 -4.225 1.00 0.00 N ATOM 1048 CA GLU A 66 301.117 -16.182 -4.432 1.00 0.00 C ATOM 1049 C GLU A 66 300.281 -16.651 -3.247 1.00 0.00 C ATOM 1050 O GLU A 66 300.486 -17.738 -2.707 1.00 0.00 O ATOM 1051 CB GLU A 66 302.332 -17.093 -4.620 1.00 0.00 C ATOM 1052 CG GLU A 66 303.103 -16.822 -5.901 1.00 0.00 C ATOM 1053 CD GLU A 66 304.605 -16.863 -5.697 1.00 0.00 C ATOM 1054 OE1 GLU A 66 305.173 -15.838 -5.266 1.00 0.00 O ATOM 1055 OE2 GLU A 66 305.213 -17.919 -5.970 1.00 0.00 O ATOM 0 H GLU A 66 301.360 -14.189 -5.020 1.00 0.00 H new ATOM 0 HA GLU A 66 300.511 -16.232 -5.337 1.00 0.00 H new ATOM 0 HB2 GLU A 66 303.003 -16.971 -3.769 1.00 0.00 H new ATOM 0 HB3 GLU A 66 302.001 -18.131 -4.618 1.00 0.00 H new ATOM 0 HG2 GLU A 66 302.822 -17.559 -6.653 1.00 0.00 H new ATOM 0 HG3 GLU A 66 302.820 -15.845 -6.291 1.00 0.00 H new ATOM 1062 N MET A 67 299.342 -15.804 -2.857 1.00 0.00 N ATOM 1063 CA MET A 67 298.456 -16.082 -1.742 1.00 0.00 C ATOM 1064 C MET A 67 297.196 -16.783 -2.239 1.00 0.00 C ATOM 1065 O MET A 67 297.000 -16.928 -3.446 1.00 0.00 O ATOM 1066 CB MET A 67 298.124 -14.771 -1.024 1.00 0.00 C ATOM 1067 CG MET A 67 299.345 -14.123 -0.384 1.00 0.00 C ATOM 1068 SD MET A 67 298.923 -12.713 0.648 1.00 0.00 S ATOM 1069 CE MET A 67 298.097 -13.555 1.987 1.00 0.00 C ATOM 0 H MET A 67 299.174 -14.904 -3.306 1.00 0.00 H new ATOM 0 HA MET A 67 298.946 -16.749 -1.033 1.00 0.00 H new ATOM 0 HB2 MET A 67 297.680 -14.075 -1.735 1.00 0.00 H new ATOM 0 HB3 MET A 67 297.375 -14.962 -0.255 1.00 0.00 H new ATOM 0 HG2 MET A 67 299.871 -14.864 0.218 1.00 0.00 H new ATOM 0 HG3 MET A 67 300.033 -13.802 -1.166 1.00 0.00 H new ATOM 0 HE1 MET A 67 297.228 -12.976 2.299 1.00 0.00 H new ATOM 0 HE2 MET A 67 297.775 -14.542 1.653 1.00 0.00 H new ATOM 0 HE3 MET A 67 298.783 -13.662 2.828 1.00 0.00 H new ATOM 1079 N GLU A 68 296.353 -17.237 -1.319 1.00 0.00 N ATOM 1080 CA GLU A 68 295.134 -17.940 -1.706 1.00 0.00 C ATOM 1081 C GLU A 68 293.901 -17.383 -1.042 1.00 0.00 C ATOM 1082 O GLU A 68 293.939 -16.394 -0.310 1.00 0.00 O ATOM 1083 CB GLU A 68 295.202 -19.411 -1.318 1.00 0.00 C ATOM 1084 CG GLU A 68 295.176 -20.362 -2.502 1.00 0.00 C ATOM 1085 CD GLU A 68 295.622 -21.764 -2.135 1.00 0.00 C ATOM 1086 OE1 GLU A 68 294.786 -22.538 -1.622 1.00 0.00 O ATOM 1087 OE2 GLU A 68 296.807 -22.088 -2.359 1.00 0.00 O ATOM 0 H GLU A 68 296.487 -17.134 -0.313 1.00 0.00 H new ATOM 0 HA GLU A 68 295.065 -17.811 -2.786 1.00 0.00 H new ATOM 0 HB2 GLU A 68 296.113 -19.584 -0.746 1.00 0.00 H new ATOM 0 HB3 GLU A 68 294.364 -19.642 -0.660 1.00 0.00 H new ATOM 0 HG2 GLU A 68 294.166 -20.401 -2.909 1.00 0.00 H new ATOM 0 HG3 GLU A 68 295.822 -19.974 -3.289 1.00 0.00 H new ATOM 1094 N ASP A 69 292.810 -18.094 -1.274 1.00 0.00 N ATOM 1095 CA ASP A 69 291.545 -17.761 -0.685 1.00 0.00 C ATOM 1096 C ASP A 69 291.465 -18.418 0.685 1.00 0.00 C ATOM 1097 O ASP A 69 291.519 -19.640 0.828 1.00 0.00 O ATOM 1098 CB ASP A 69 290.407 -18.169 -1.611 1.00 0.00 C ATOM 1099 CG ASP A 69 289.925 -19.592 -1.389 1.00 0.00 C ATOM 1100 OD1 ASP A 69 290.637 -20.532 -1.802 1.00 0.00 O ATOM 1101 OD2 ASP A 69 288.835 -19.765 -0.803 1.00 0.00 O ATOM 0 H ASP A 69 292.787 -18.916 -1.877 1.00 0.00 H new ATOM 0 HA ASP A 69 291.450 -16.684 -0.548 1.00 0.00 H new ATOM 0 HB2 ASP A 69 289.571 -17.484 -1.469 1.00 0.00 H new ATOM 0 HB3 ASP A 69 290.735 -18.062 -2.645 1.00 0.00 H new ATOM 1106 N GLU A 70 291.411 -17.557 1.673 1.00 0.00 N ATOM 1107 CA GLU A 70 291.405 -17.963 3.071 1.00 0.00 C ATOM 1108 C GLU A 70 292.834 -18.272 3.444 1.00 0.00 C ATOM 1109 O GLU A 70 293.146 -19.317 4.015 1.00 0.00 O ATOM 1110 CB GLU A 70 290.506 -19.183 3.301 1.00 0.00 C ATOM 1111 CG GLU A 70 289.138 -19.055 2.651 1.00 0.00 C ATOM 1112 CD GLU A 70 288.316 -20.323 2.766 1.00 0.00 C ATOM 1113 OE1 GLU A 70 287.798 -20.598 3.869 1.00 0.00 O ATOM 1114 OE2 GLU A 70 288.189 -21.042 1.752 1.00 0.00 O ATOM 0 H GLU A 70 291.370 -16.547 1.536 1.00 0.00 H new ATOM 0 HA GLU A 70 291.002 -17.165 3.694 1.00 0.00 H new ATOM 0 HB2 GLU A 70 291.004 -20.071 2.911 1.00 0.00 H new ATOM 0 HB3 GLU A 70 290.378 -19.334 4.373 1.00 0.00 H new ATOM 0 HG2 GLU A 70 288.595 -18.231 3.115 1.00 0.00 H new ATOM 0 HG3 GLU A 70 289.263 -18.802 1.598 1.00 0.00 H new ATOM 1121 N ASP A 71 293.692 -17.307 3.143 1.00 0.00 N ATOM 1122 CA ASP A 71 295.094 -17.398 3.466 1.00 0.00 C ATOM 1123 C ASP A 71 295.302 -16.632 4.742 1.00 0.00 C ATOM 1124 O ASP A 71 294.333 -16.204 5.361 1.00 0.00 O ATOM 1125 CB ASP A 71 295.967 -16.838 2.338 1.00 0.00 C ATOM 1126 CG ASP A 71 297.110 -17.768 1.981 1.00 0.00 C ATOM 1127 OD1 ASP A 71 298.118 -17.780 2.719 1.00 0.00 O ATOM 1128 OD2 ASP A 71 296.998 -18.484 0.965 1.00 0.00 O ATOM 0 H ASP A 71 293.428 -16.443 2.669 1.00 0.00 H new ATOM 0 HA ASP A 71 295.388 -18.440 3.589 1.00 0.00 H new ATOM 0 HB2 ASP A 71 295.351 -16.667 1.455 1.00 0.00 H new ATOM 0 HB3 ASP A 71 296.369 -15.870 2.638 1.00 0.00 H new ATOM 1133 N THR A 72 296.531 -16.404 5.125 1.00 0.00 N ATOM 1134 CA THR A 72 296.771 -15.637 6.327 1.00 0.00 C ATOM 1135 C THR A 72 297.826 -14.578 6.097 1.00 0.00 C ATOM 1136 O THR A 72 298.964 -14.862 5.724 1.00 0.00 O ATOM 1137 CB THR A 72 297.155 -16.519 7.518 1.00 0.00 C ATOM 1138 OG1 THR A 72 296.046 -17.281 7.966 1.00 0.00 O ATOM 1139 CG2 THR A 72 297.676 -15.721 8.700 1.00 0.00 C ATOM 0 H THR A 72 297.366 -16.728 4.638 1.00 0.00 H new ATOM 0 HA THR A 72 295.829 -15.148 6.574 1.00 0.00 H new ATOM 0 HB THR A 72 297.950 -17.170 7.153 1.00 0.00 H new ATOM 0 HG1 THR A 72 296.317 -17.837 8.726 1.00 0.00 H new ATOM 0 HG21 THR A 72 297.932 -16.400 9.513 1.00 0.00 H new ATOM 0 HG22 THR A 72 298.563 -15.164 8.400 1.00 0.00 H new ATOM 0 HG23 THR A 72 296.907 -15.025 9.037 1.00 0.00 H new ATOM 1147 N ILE A 73 297.437 -13.368 6.415 1.00 0.00 N ATOM 1148 CA ILE A 73 298.308 -12.239 6.359 1.00 0.00 C ATOM 1149 C ILE A 73 298.776 -12.039 7.778 1.00 0.00 C ATOM 1150 O ILE A 73 297.999 -12.148 8.717 1.00 0.00 O ATOM 1151 CB ILE A 73 297.605 -10.955 5.842 1.00 0.00 C ATOM 1152 CG1 ILE A 73 297.671 -10.919 4.347 1.00 0.00 C ATOM 1153 CG2 ILE A 73 298.296 -9.705 6.400 1.00 0.00 C ATOM 1154 CD1 ILE A 73 299.039 -11.176 3.848 1.00 0.00 C ATOM 0 H ILE A 73 296.491 -13.145 6.724 1.00 0.00 H new ATOM 0 HA ILE A 73 299.123 -12.421 5.658 1.00 0.00 H new ATOM 0 HB ILE A 73 296.566 -10.968 6.173 1.00 0.00 H new ATOM 0 HG12 ILE A 73 296.989 -11.663 3.936 1.00 0.00 H new ATOM 0 HG13 ILE A 73 297.332 -9.946 3.992 1.00 0.00 H new ATOM 0 HG21 ILE A 73 297.791 -8.813 6.028 1.00 0.00 H new ATOM 0 HG22 ILE A 73 298.251 -9.720 7.489 1.00 0.00 H new ATOM 0 HG23 ILE A 73 299.338 -9.692 6.080 1.00 0.00 H new ATOM 0 HD11 ILE A 73 299.042 -11.141 2.759 1.00 0.00 H new ATOM 0 HD12 ILE A 73 299.717 -10.416 4.237 1.00 0.00 H new ATOM 0 HD13 ILE A 73 299.368 -12.161 4.180 1.00 0.00 H new ATOM 1166 N ASP A 74 300.037 -11.796 7.945 1.00 0.00 N ATOM 1167 CA ASP A 74 300.576 -11.622 9.278 1.00 0.00 C ATOM 1168 C ASP A 74 300.739 -10.153 9.556 1.00 0.00 C ATOM 1169 O ASP A 74 301.117 -9.387 8.677 1.00 0.00 O ATOM 1170 CB ASP A 74 301.911 -12.365 9.454 1.00 0.00 C ATOM 1171 CG ASP A 74 301.938 -13.699 8.728 1.00 0.00 C ATOM 1172 OD1 ASP A 74 301.686 -13.718 7.505 1.00 0.00 O ATOM 1173 OD2 ASP A 74 302.211 -14.726 9.385 1.00 0.00 O ATOM 0 H ASP A 74 300.717 -11.712 7.189 1.00 0.00 H new ATOM 0 HA ASP A 74 299.878 -12.053 9.995 1.00 0.00 H new ATOM 0 HB2 ASP A 74 302.723 -11.738 9.085 1.00 0.00 H new ATOM 0 HB3 ASP A 74 302.093 -12.530 10.516 1.00 0.00 H new ATOM 1178 N VAL A 75 300.453 -9.753 10.773 1.00 0.00 N ATOM 1179 CA VAL A 75 300.590 -8.359 11.132 1.00 0.00 C ATOM 1180 C VAL A 75 301.680 -8.170 12.149 1.00 0.00 C ATOM 1181 O VAL A 75 301.803 -8.913 13.123 1.00 0.00 O ATOM 1182 CB VAL A 75 299.293 -7.710 11.664 1.00 0.00 C ATOM 1183 CG1 VAL A 75 299.613 -6.653 12.725 1.00 0.00 C ATOM 1184 CG2 VAL A 75 298.528 -7.087 10.514 1.00 0.00 C ATOM 0 H VAL A 75 300.128 -10.363 11.523 1.00 0.00 H new ATOM 0 HA VAL A 75 300.842 -7.854 10.199 1.00 0.00 H new ATOM 0 HB VAL A 75 298.678 -8.481 12.128 1.00 0.00 H new ATOM 0 HG11 VAL A 75 298.686 -6.208 13.087 1.00 0.00 H new ATOM 0 HG12 VAL A 75 300.140 -7.120 13.557 1.00 0.00 H new ATOM 0 HG13 VAL A 75 300.241 -5.877 12.288 1.00 0.00 H new ATOM 0 HG21 VAL A 75 297.613 -6.630 10.891 1.00 0.00 H new ATOM 0 HG22 VAL A 75 299.145 -6.325 10.037 1.00 0.00 H new ATOM 0 HG23 VAL A 75 298.275 -7.857 9.786 1.00 0.00 H new ATOM 1194 N PHE A 76 302.445 -7.143 11.908 1.00 0.00 N ATOM 1195 CA PHE A 76 303.530 -6.759 12.763 1.00 0.00 C ATOM 1196 C PHE A 76 303.615 -5.251 12.729 1.00 0.00 C ATOM 1197 O PHE A 76 303.393 -4.637 11.697 1.00 0.00 O ATOM 1198 CB PHE A 76 304.834 -7.384 12.295 1.00 0.00 C ATOM 1199 CG PHE A 76 304.799 -8.898 12.255 1.00 0.00 C ATOM 1200 CD1 PHE A 76 304.793 -9.604 13.448 1.00 0.00 C ATOM 1201 CD2 PHE A 76 304.765 -9.623 11.053 1.00 0.00 C ATOM 1202 CE1 PHE A 76 304.754 -10.984 13.461 1.00 0.00 C ATOM 1203 CE2 PHE A 76 304.727 -11.005 11.073 1.00 0.00 C ATOM 1204 CZ PHE A 76 304.720 -11.684 12.274 1.00 0.00 C ATOM 0 H PHE A 76 302.329 -6.538 11.095 1.00 0.00 H new ATOM 0 HA PHE A 76 303.357 -7.109 13.781 1.00 0.00 H new ATOM 0 HB2 PHE A 76 305.071 -7.008 11.300 1.00 0.00 H new ATOM 0 HB3 PHE A 76 305.639 -7.065 12.957 1.00 0.00 H new ATOM 0 HD1 PHE A 76 304.819 -9.065 14.384 1.00 0.00 H new ATOM 0 HD2 PHE A 76 304.769 -9.099 10.109 1.00 0.00 H new ATOM 0 HE1 PHE A 76 304.750 -11.515 14.401 1.00 0.00 H new ATOM 0 HE2 PHE A 76 304.703 -11.556 10.144 1.00 0.00 H new ATOM 0 HZ PHE A 76 304.688 -12.763 12.284 1.00 0.00 H new ATOM 1214 N GLN A 77 303.897 -4.664 13.854 1.00 0.00 N ATOM 1215 CA GLN A 77 303.967 -3.213 13.953 1.00 0.00 C ATOM 1216 C GLN A 77 305.418 -2.741 13.921 1.00 0.00 C ATOM 1217 O GLN A 77 306.168 -2.948 14.876 1.00 0.00 O ATOM 1218 CB GLN A 77 303.276 -2.752 15.235 1.00 0.00 C ATOM 1219 CG GLN A 77 301.956 -2.039 14.989 1.00 0.00 C ATOM 1220 CD GLN A 77 300.982 -2.207 16.139 1.00 0.00 C ATOM 1221 OE1 GLN A 77 300.883 -1.348 17.015 1.00 0.00 O ATOM 1222 NE2 GLN A 77 300.257 -3.320 16.142 1.00 0.00 N ATOM 0 H GLN A 77 304.085 -5.158 14.726 1.00 0.00 H new ATOM 0 HA GLN A 77 303.454 -2.774 13.098 1.00 0.00 H new ATOM 0 HB2 GLN A 77 303.099 -3.617 15.874 1.00 0.00 H new ATOM 0 HB3 GLN A 77 303.945 -2.085 15.779 1.00 0.00 H new ATOM 0 HG2 GLN A 77 302.145 -0.977 14.829 1.00 0.00 H new ATOM 0 HG3 GLN A 77 301.504 -2.424 14.075 1.00 0.00 H new ATOM 0 HE21 GLN A 77 300.372 -4.005 15.395 1.00 0.00 H new ATOM 0 HE22 GLN A 77 299.586 -3.489 16.891 1.00 0.00 H new ATOM 1231 N GLN A 78 305.811 -2.111 12.817 1.00 0.00 N ATOM 1232 CA GLN A 78 307.175 -1.613 12.656 1.00 0.00 C ATOM 1233 C GLN A 78 308.207 -2.687 12.997 1.00 0.00 C ATOM 1234 O GLN A 78 308.765 -2.703 14.094 1.00 0.00 O ATOM 1235 CB GLN A 78 307.400 -0.378 13.529 1.00 0.00 C ATOM 1236 CG GLN A 78 307.684 0.886 12.733 1.00 0.00 C ATOM 1237 CD GLN A 78 307.620 2.137 13.586 1.00 0.00 C ATOM 1238 OE1 GLN A 78 306.630 2.382 14.276 1.00 0.00 O ATOM 1239 NE2 GLN A 78 308.679 2.938 13.544 1.00 0.00 N ATOM 0 H GLN A 78 305.202 -1.933 12.018 1.00 0.00 H new ATOM 0 HA GLN A 78 307.304 -1.340 11.609 1.00 0.00 H new ATOM 0 HB2 GLN A 78 306.519 -0.216 14.149 1.00 0.00 H new ATOM 0 HB3 GLN A 78 308.235 -0.568 14.204 1.00 0.00 H new ATOM 0 HG2 GLN A 78 308.672 0.811 12.278 1.00 0.00 H new ATOM 0 HG3 GLN A 78 306.964 0.968 11.919 1.00 0.00 H new ATOM 0 HE21 GLN A 78 309.478 2.696 12.958 1.00 0.00 H new ATOM 0 HE22 GLN A 78 308.693 3.795 14.098 1.00 0.00 H new ATOM 1489 N ASN B 14 311.790 -2.770 -6.159 1.00 0.00 N ATOM 1490 CA ASN B 14 310.880 -2.032 -5.291 1.00 0.00 C ATOM 1491 C ASN B 14 310.723 -2.694 -3.921 1.00 0.00 C ATOM 1492 O ASN B 14 309.880 -3.570 -3.729 1.00 0.00 O ATOM 1493 CB ASN B 14 309.528 -1.881 -5.967 1.00 0.00 C ATOM 1494 CG ASN B 14 308.680 -0.793 -5.337 1.00 0.00 C ATOM 1495 OD1 ASN B 14 308.286 -0.893 -4.175 1.00 0.00 O ATOM 1496 ND2 ASN B 14 308.394 0.254 -6.103 1.00 0.00 N ATOM 0 HA ASN B 14 311.313 -1.046 -5.121 1.00 0.00 H new ATOM 0 HB2 ASN B 14 309.677 -1.655 -7.023 1.00 0.00 H new ATOM 0 HB3 ASN B 14 308.993 -2.829 -5.916 1.00 0.00 H new ATOM 0 HD21 ASN B 14 307.827 1.017 -5.733 1.00 0.00 H new ATOM 0 HD22 ASN B 14 308.742 0.295 -7.061 1.00 0.00 H new ATOM 1503 N ASP B 15 311.548 -2.251 -2.976 1.00 0.00 N ATOM 1504 CA ASP B 15 311.532 -2.766 -1.608 1.00 0.00 C ATOM 1505 C ASP B 15 312.610 -2.069 -0.781 1.00 0.00 C ATOM 1506 O ASP B 15 313.256 -2.683 0.062 1.00 0.00 O ATOM 1507 CB ASP B 15 311.767 -4.273 -1.596 1.00 0.00 C ATOM 1508 CG ASP B 15 312.901 -4.680 -2.510 1.00 0.00 C ATOM 1509 OD1 ASP B 15 313.915 -3.952 -2.546 1.00 0.00 O ATOM 1510 OD2 ASP B 15 312.778 -5.722 -3.188 1.00 0.00 O ATOM 0 H ASP B 15 312.247 -1.525 -3.136 1.00 0.00 H new ATOM 0 HA ASP B 15 310.553 -2.564 -1.174 1.00 0.00 H new ATOM 0 HB2 ASP B 15 311.988 -4.597 -0.579 1.00 0.00 H new ATOM 0 HB3 ASP B 15 310.854 -4.784 -1.902 1.00 0.00 H new ATOM 1515 N HIS B 16 312.780 -0.779 -1.063 1.00 0.00 N ATOM 1516 CA HIS B 16 313.753 0.102 -0.424 1.00 0.00 C ATOM 1517 C HIS B 16 314.955 -0.600 0.207 1.00 0.00 C ATOM 1518 O HIS B 16 314.843 -1.639 0.848 1.00 0.00 O ATOM 1519 CB HIS B 16 313.075 0.996 0.600 1.00 0.00 C ATOM 1520 CG HIS B 16 311.824 1.640 0.095 1.00 0.00 C ATOM 1521 ND1 HIS B 16 311.642 2.813 -0.558 1.00 0.00 N flip ATOM 1522 CD2 HIS B 16 310.572 1.082 0.237 1.00 0.00 C flip ATOM 1523 CE1 HIS B 16 310.296 2.940 -0.796 1.00 0.00 C flip ATOM 1524 NE2 HIS B 16 309.672 1.883 -0.308 1.00 0.00 N flip ATOM 0 H HIS B 16 312.222 -0.301 -1.770 1.00 0.00 H new ATOM 0 HA HIS B 16 314.163 0.698 -1.240 1.00 0.00 H new ATOM 0 HB2 HIS B 16 312.838 0.406 1.485 1.00 0.00 H new ATOM 0 HB3 HIS B 16 313.774 1.773 0.912 1.00 0.00 H new ATOM 0 HD2 HIS B 16 310.359 0.139 0.718 1.00 0.00 H new ATOM 0 HE1 HIS B 16 309.824 3.770 -1.301 1.00 0.00 H new ATOM 0 HE2 HIS B 16 308.667 1.713 -0.345 1.00 0.00 H new ATOM 1533 N ILE B 17 316.109 0.031 0.045 1.00 0.00 N ATOM 1534 CA ILE B 17 317.355 -0.457 0.615 1.00 0.00 C ATOM 1535 C ILE B 17 318.159 0.709 1.126 1.00 0.00 C ATOM 1536 O ILE B 17 317.985 1.835 0.669 1.00 0.00 O ATOM 1537 CB ILE B 17 318.236 -1.228 -0.391 1.00 0.00 C ATOM 1538 CG1 ILE B 17 318.840 -0.277 -1.439 1.00 0.00 C ATOM 1539 CG2 ILE B 17 317.435 -2.337 -1.055 1.00 0.00 C ATOM 1540 CD1 ILE B 17 319.565 -0.973 -2.573 1.00 0.00 C ATOM 0 H ILE B 17 316.207 0.896 -0.486 1.00 0.00 H new ATOM 0 HA ILE B 17 317.075 -1.147 1.411 1.00 0.00 H new ATOM 0 HB ILE B 17 319.062 -1.683 0.155 1.00 0.00 H new ATOM 0 HG12 ILE B 17 318.042 0.337 -1.857 1.00 0.00 H new ATOM 0 HG13 ILE B 17 319.535 0.399 -0.941 1.00 0.00 H new ATOM 0 HG21 ILE B 17 318.070 -2.871 -1.762 1.00 0.00 H new ATOM 0 HG22 ILE B 17 317.074 -3.030 -0.295 1.00 0.00 H new ATOM 0 HG23 ILE B 17 316.586 -1.905 -1.585 1.00 0.00 H new ATOM 0 HD11 ILE B 17 319.959 -0.228 -3.265 1.00 0.00 H new ATOM 0 HD12 ILE B 17 320.387 -1.565 -2.170 1.00 0.00 H new ATOM 0 HD13 ILE B 17 318.871 -1.627 -3.101 1.00 0.00 H new ATOM 1552 N ASN B 18 319.033 0.454 2.071 1.00 0.00 N ATOM 1553 CA ASN B 18 319.843 1.510 2.625 1.00 0.00 C ATOM 1554 C ASN B 18 321.058 1.719 1.746 1.00 0.00 C ATOM 1555 O ASN B 18 321.879 0.824 1.587 1.00 0.00 O ATOM 1556 CB ASN B 18 320.332 1.134 4.034 1.00 0.00 C ATOM 1557 CG ASN B 18 320.537 2.330 4.953 1.00 0.00 C ATOM 1558 OD1 ASN B 18 320.677 2.167 6.165 1.00 0.00 O ATOM 1559 ND2 ASN B 18 320.571 3.535 4.391 1.00 0.00 N ATOM 0 H ASN B 18 319.200 -0.470 2.470 1.00 0.00 H new ATOM 0 HA ASN B 18 319.240 2.416 2.678 1.00 0.00 H new ATOM 0 HB2 ASN B 18 319.610 0.457 4.490 1.00 0.00 H new ATOM 0 HB3 ASN B 18 321.272 0.588 3.949 1.00 0.00 H new ATOM 0 HD21 ASN B 18 320.717 4.363 4.968 1.00 0.00 H new ATOM 0 HD22 ASN B 18 320.451 3.631 3.383 1.00 0.00 H new ATOM 1566 N LEU B 19 321.190 2.904 1.198 1.00 0.00 N ATOM 1567 CA LEU B 19 322.331 3.207 0.371 1.00 0.00 C ATOM 1568 C LEU B 19 323.324 4.013 1.171 1.00 0.00 C ATOM 1569 O LEU B 19 323.004 4.526 2.235 1.00 0.00 O ATOM 1570 CB LEU B 19 321.930 3.934 -0.923 1.00 0.00 C ATOM 1571 CG LEU B 19 322.076 3.045 -2.180 1.00 0.00 C ATOM 1572 CD1 LEU B 19 322.013 3.851 -3.455 1.00 0.00 C ATOM 1573 CD2 LEU B 19 323.369 2.226 -2.149 1.00 0.00 C ATOM 0 H LEU B 19 320.525 3.669 1.310 1.00 0.00 H new ATOM 0 HA LEU B 19 322.794 2.270 0.062 1.00 0.00 H new ATOM 0 HB2 LEU B 19 320.897 4.271 -0.840 1.00 0.00 H new ATOM 0 HB3 LEU B 19 322.547 4.825 -1.040 1.00 0.00 H new ATOM 0 HG LEU B 19 321.229 2.359 -2.166 1.00 0.00 H new ATOM 0 HD11 LEU B 19 322.120 3.186 -4.312 1.00 0.00 H new ATOM 0 HD12 LEU B 19 321.054 4.366 -3.513 1.00 0.00 H new ATOM 0 HD13 LEU B 19 322.820 4.584 -3.462 1.00 0.00 H new ATOM 0 HD21 LEU B 19 323.434 1.615 -3.049 1.00 0.00 H new ATOM 0 HD22 LEU B 19 324.225 2.899 -2.105 1.00 0.00 H new ATOM 0 HD23 LEU B 19 323.370 1.580 -1.271 1.00 0.00 H new ATOM 1585 N LYS B 20 324.538 4.077 0.682 1.00 0.00 N ATOM 1586 CA LYS B 20 325.594 4.783 1.367 1.00 0.00 C ATOM 1587 C LYS B 20 326.379 5.612 0.378 1.00 0.00 C ATOM 1588 O LYS B 20 326.712 5.130 -0.694 1.00 0.00 O ATOM 1589 CB LYS B 20 326.544 3.782 2.009 1.00 0.00 C ATOM 1590 CG LYS B 20 326.751 4.026 3.467 1.00 0.00 C ATOM 1591 CD LYS B 20 327.380 2.849 4.215 1.00 0.00 C ATOM 1592 CE LYS B 20 327.506 1.568 3.400 1.00 0.00 C ATOM 1593 NZ LYS B 20 328.698 0.773 3.808 1.00 0.00 N ATOM 0 H LYS B 20 324.822 3.644 -0.197 1.00 0.00 H new ATOM 0 HA LYS B 20 325.151 5.426 2.128 1.00 0.00 H new ATOM 0 HB2 LYS B 20 326.152 2.775 1.867 1.00 0.00 H new ATOM 0 HB3 LYS B 20 327.506 3.824 1.499 1.00 0.00 H new ATOM 0 HG2 LYS B 20 327.387 4.903 3.591 1.00 0.00 H new ATOM 0 HG3 LYS B 20 325.790 4.262 3.925 1.00 0.00 H new ATOM 0 HD2 LYS B 20 328.372 3.143 4.559 1.00 0.00 H new ATOM 0 HD3 LYS B 20 326.784 2.641 5.103 1.00 0.00 H new ATOM 0 HE2 LYS B 20 326.606 0.966 3.526 1.00 0.00 H new ATOM 0 HE3 LYS B 20 327.578 1.816 2.341 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 328.752 -0.092 3.233 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 329.559 1.339 3.664 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 328.617 0.516 4.812 1.00 0.00 H new ATOM 1607 N VAL B 21 326.682 6.844 0.710 1.00 0.00 N ATOM 1608 CA VAL B 21 327.449 7.690 -0.189 1.00 0.00 C ATOM 1609 C VAL B 21 328.765 8.073 0.492 1.00 0.00 C ATOM 1610 O VAL B 21 328.768 8.541 1.629 1.00 0.00 O ATOM 1611 CB VAL B 21 326.661 8.955 -0.590 1.00 0.00 C ATOM 1612 CG1 VAL B 21 327.133 9.460 -1.935 1.00 0.00 C ATOM 1613 CG2 VAL B 21 325.168 8.668 -0.643 1.00 0.00 C ATOM 0 H VAL B 21 326.414 7.286 1.589 1.00 0.00 H new ATOM 0 HA VAL B 21 327.652 7.134 -1.104 1.00 0.00 H new ATOM 0 HB VAL B 21 326.841 9.721 0.164 1.00 0.00 H new ATOM 0 HG11 VAL B 21 326.569 10.353 -2.207 1.00 0.00 H new ATOM 0 HG12 VAL B 21 328.194 9.703 -1.880 1.00 0.00 H new ATOM 0 HG13 VAL B 21 326.976 8.688 -2.689 1.00 0.00 H new ATOM 0 HG21 VAL B 21 324.633 9.574 -0.928 1.00 0.00 H new ATOM 0 HG22 VAL B 21 324.974 7.886 -1.377 1.00 0.00 H new ATOM 0 HG23 VAL B 21 324.826 8.338 0.338 1.00 0.00 H new ATOM 1623 N ALA B 22 329.883 7.842 -0.188 1.00 0.00 N ATOM 1624 CA ALA B 22 331.198 8.139 0.381 1.00 0.00 C ATOM 1625 C ALA B 22 331.761 9.444 -0.166 1.00 0.00 C ATOM 1626 O ALA B 22 332.326 9.474 -1.255 1.00 0.00 O ATOM 1627 CB ALA B 22 332.150 6.989 0.101 1.00 0.00 C ATOM 0 H ALA B 22 329.908 7.452 -1.130 1.00 0.00 H new ATOM 0 HA ALA B 22 331.085 8.258 1.459 1.00 0.00 H new ATOM 0 HB1 ALA B 22 333.128 7.214 0.526 1.00 0.00 H new ATOM 0 HB2 ALA B 22 331.760 6.076 0.551 1.00 0.00 H new ATOM 0 HB3 ALA B 22 332.246 6.850 -0.976 1.00 0.00 H new ATOM 1633 N GLY B 23 331.596 10.524 0.590 1.00 0.00 N ATOM 1634 CA GLY B 23 332.078 11.818 0.144 1.00 0.00 C ATOM 1635 C GLY B 23 333.489 12.152 0.586 1.00 0.00 C ATOM 1636 O GLY B 23 333.842 12.005 1.756 1.00 0.00 O ATOM 0 H GLY B 23 331.138 10.527 1.502 1.00 0.00 H new ATOM 0 HA2 GLY B 23 332.035 11.852 -0.945 1.00 0.00 H new ATOM 0 HA3 GLY B 23 331.403 12.590 0.514 1.00 0.00 H new ATOM 1640 N GLN B 24 334.285 12.634 -0.368 1.00 0.00 N ATOM 1641 CA GLN B 24 335.662 13.035 -0.109 1.00 0.00 C ATOM 1642 C GLN B 24 336.521 11.886 0.405 1.00 0.00 C ATOM 1643 O GLN B 24 337.592 12.100 0.973 1.00 0.00 O ATOM 1644 CB GLN B 24 335.673 14.181 0.877 1.00 0.00 C ATOM 1645 CG GLN B 24 334.898 15.389 0.382 1.00 0.00 C ATOM 1646 CD GLN B 24 334.676 16.430 1.463 1.00 0.00 C ATOM 1647 OE1 GLN B 24 335.387 17.432 1.531 1.00 0.00 O ATOM 1648 NE2 GLN B 24 333.685 16.196 2.316 1.00 0.00 N ATOM 0 H GLN B 24 333.992 12.756 -1.337 1.00 0.00 H new ATOM 0 HA GLN B 24 336.098 13.351 -1.056 1.00 0.00 H new ATOM 0 HB2 GLN B 24 335.248 13.845 1.823 1.00 0.00 H new ATOM 0 HB3 GLN B 24 336.704 14.473 1.077 1.00 0.00 H new ATOM 0 HG2 GLN B 24 335.436 15.844 -0.449 1.00 0.00 H new ATOM 0 HG3 GLN B 24 333.933 15.062 -0.004 1.00 0.00 H new ATOM 0 HE21 GLN B 24 333.120 15.352 2.222 1.00 0.00 H new ATOM 0 HE22 GLN B 24 333.489 16.861 3.064 1.00 0.00 H new ATOM 1657 N ASP B 25 336.047 10.674 0.188 1.00 0.00 N ATOM 1658 CA ASP B 25 336.764 9.470 0.610 1.00 0.00 C ATOM 1659 C ASP B 25 337.277 9.592 2.044 1.00 0.00 C ATOM 1660 O ASP B 25 338.282 8.979 2.406 1.00 0.00 O ATOM 1661 CB ASP B 25 337.936 9.192 -0.333 1.00 0.00 C ATOM 1662 CG ASP B 25 338.479 7.784 -0.185 1.00 0.00 C ATOM 1663 OD1 ASP B 25 337.917 6.862 -0.812 1.00 0.00 O ATOM 1664 OD2 ASP B 25 339.467 7.604 0.559 1.00 0.00 O ATOM 0 H ASP B 25 335.161 10.489 -0.282 1.00 0.00 H new ATOM 0 HA ASP B 25 336.059 8.640 0.571 1.00 0.00 H new ATOM 0 HB2 ASP B 25 337.614 9.348 -1.363 1.00 0.00 H new ATOM 0 HB3 ASP B 25 338.734 9.908 -0.137 1.00 0.00 H new ATOM 1669 N GLY B 26 336.580 10.376 2.857 1.00 0.00 N ATOM 1670 CA GLY B 26 336.976 10.554 4.236 1.00 0.00 C ATOM 1671 C GLY B 26 336.023 9.873 5.201 1.00 0.00 C ATOM 1672 O GLY B 26 336.349 9.668 6.370 1.00 0.00 O ATOM 0 H GLY B 26 335.745 10.893 2.582 1.00 0.00 H new ATOM 0 HA2 GLY B 26 337.980 10.155 4.378 1.00 0.00 H new ATOM 0 HA3 GLY B 26 337.021 11.619 4.464 1.00 0.00 H new ATOM 1676 N SER B 27 334.840 9.530 4.705 1.00 0.00 N ATOM 1677 CA SER B 27 333.824 8.876 5.509 1.00 0.00 C ATOM 1678 C SER B 27 332.704 8.369 4.619 1.00 0.00 C ATOM 1679 O SER B 27 332.900 8.149 3.424 1.00 0.00 O ATOM 1680 CB SER B 27 333.288 9.847 6.565 1.00 0.00 C ATOM 1681 OG SER B 27 332.111 10.500 6.118 1.00 0.00 O ATOM 0 H SER B 27 334.562 9.698 3.738 1.00 0.00 H new ATOM 0 HA SER B 27 334.265 8.022 6.022 1.00 0.00 H new ATOM 0 HB2 SER B 27 333.077 9.304 7.487 1.00 0.00 H new ATOM 0 HB3 SER B 27 334.051 10.589 6.799 1.00 0.00 H new ATOM 0 HG SER B 27 331.792 11.112 6.814 1.00 0.00 H new ATOM 1687 N VAL B 28 331.540 8.165 5.204 1.00 0.00 N ATOM 1688 CA VAL B 28 330.409 7.664 4.457 1.00 0.00 C ATOM 1689 C VAL B 28 329.094 8.144 5.049 1.00 0.00 C ATOM 1690 O VAL B 28 329.002 8.465 6.234 1.00 0.00 O ATOM 1691 CB VAL B 28 330.425 6.119 4.434 1.00 0.00 C ATOM 1692 CG1 VAL B 28 330.528 5.577 5.850 1.00 0.00 C ATOM 1693 CG2 VAL B 28 329.192 5.556 3.723 1.00 0.00 C ATOM 0 H VAL B 28 331.355 8.339 6.192 1.00 0.00 H new ATOM 0 HA VAL B 28 330.491 8.049 3.440 1.00 0.00 H new ATOM 0 HB VAL B 28 331.300 5.797 3.870 1.00 0.00 H new ATOM 0 HG11 VAL B 28 330.538 4.487 5.823 1.00 0.00 H new ATOM 0 HG12 VAL B 28 331.447 5.937 6.312 1.00 0.00 H new ATOM 0 HG13 VAL B 28 329.672 5.917 6.433 1.00 0.00 H new ATOM 0 HG21 VAL B 28 329.236 4.467 3.725 1.00 0.00 H new ATOM 0 HG22 VAL B 28 328.291 5.884 4.242 1.00 0.00 H new ATOM 0 HG23 VAL B 28 329.169 5.916 2.694 1.00 0.00 H new ATOM 1703 N VAL B 29 328.071 8.121 4.217 1.00 0.00 N ATOM 1704 CA VAL B 29 326.729 8.475 4.627 1.00 0.00 C ATOM 1705 C VAL B 29 325.831 7.350 4.213 1.00 0.00 C ATOM 1706 O VAL B 29 326.133 6.641 3.260 1.00 0.00 O ATOM 1707 CB VAL B 29 326.192 9.771 4.006 1.00 0.00 C ATOM 1708 CG1 VAL B 29 326.492 10.962 4.893 1.00 0.00 C ATOM 1709 CG2 VAL B 29 326.735 9.963 2.609 1.00 0.00 C ATOM 0 H VAL B 29 328.149 7.855 3.235 1.00 0.00 H new ATOM 0 HA VAL B 29 326.754 8.643 5.704 1.00 0.00 H new ATOM 0 HB VAL B 29 325.108 9.689 3.927 1.00 0.00 H new ATOM 0 HG11 VAL B 29 326.101 11.868 4.430 1.00 0.00 H new ATOM 0 HG12 VAL B 29 326.021 10.819 5.866 1.00 0.00 H new ATOM 0 HG13 VAL B 29 327.570 11.057 5.022 1.00 0.00 H new ATOM 0 HG21 VAL B 29 326.340 10.888 2.189 1.00 0.00 H new ATOM 0 HG22 VAL B 29 327.823 10.016 2.646 1.00 0.00 H new ATOM 0 HG23 VAL B 29 326.434 9.123 1.983 1.00 0.00 H new ATOM 1719 N GLN B 30 324.753 7.164 4.926 1.00 0.00 N ATOM 1720 CA GLN B 30 323.846 6.079 4.604 1.00 0.00 C ATOM 1721 C GLN B 30 322.478 6.589 4.190 1.00 0.00 C ATOM 1722 O GLN B 30 321.681 7.054 5.006 1.00 0.00 O ATOM 1723 CB GLN B 30 323.744 5.154 5.799 1.00 0.00 C ATOM 1724 CG GLN B 30 324.533 3.866 5.660 1.00 0.00 C ATOM 1725 CD GLN B 30 324.222 2.870 6.759 1.00 0.00 C ATOM 1726 OE1 GLN B 30 323.398 1.971 6.583 1.00 0.00 O ATOM 1727 NE2 GLN B 30 324.880 3.025 7.901 1.00 0.00 N ATOM 0 H GLN B 30 324.478 7.737 5.724 1.00 0.00 H new ATOM 0 HA GLN B 30 324.243 5.531 3.750 1.00 0.00 H new ATOM 0 HB2 GLN B 30 324.091 5.685 6.685 1.00 0.00 H new ATOM 0 HB3 GLN B 30 322.695 4.908 5.965 1.00 0.00 H new ATOM 0 HG2 GLN B 30 324.315 3.414 4.693 1.00 0.00 H new ATOM 0 HG3 GLN B 30 325.599 4.094 5.673 1.00 0.00 H new ATOM 0 HE21 GLN B 30 325.554 3.784 8.002 1.00 0.00 H new ATOM 0 HE22 GLN B 30 324.712 2.385 8.677 1.00 0.00 H new ATOM 1736 N PHE B 31 322.228 6.471 2.900 1.00 0.00 N ATOM 1737 CA PHE B 31 320.985 6.879 2.294 1.00 0.00 C ATOM 1738 C PHE B 31 320.065 5.691 2.198 1.00 0.00 C ATOM 1739 O PHE B 31 320.524 4.569 2.082 1.00 0.00 O ATOM 1740 CB PHE B 31 321.265 7.397 0.878 1.00 0.00 C ATOM 1741 CG PHE B 31 322.101 8.664 0.847 1.00 0.00 C ATOM 1742 CD1 PHE B 31 322.833 9.063 1.959 1.00 0.00 C ATOM 1743 CD2 PHE B 31 322.161 9.456 -0.290 1.00 0.00 C ATOM 1744 CE1 PHE B 31 323.595 10.211 1.932 1.00 0.00 C ATOM 1745 CE2 PHE B 31 322.926 10.606 -0.316 1.00 0.00 C ATOM 1746 CZ PHE B 31 323.643 10.980 0.797 1.00 0.00 C ATOM 0 H PHE B 31 322.898 6.082 2.236 1.00 0.00 H new ATOM 0 HA PHE B 31 320.523 7.661 2.897 1.00 0.00 H new ATOM 0 HB2 PHE B 31 321.777 6.620 0.311 1.00 0.00 H new ATOM 0 HB3 PHE B 31 320.316 7.585 0.375 1.00 0.00 H new ATOM 0 HD1 PHE B 31 322.804 8.465 2.858 1.00 0.00 H new ATOM 0 HD2 PHE B 31 321.601 9.169 -1.168 1.00 0.00 H new ATOM 0 HE1 PHE B 31 324.156 10.506 2.807 1.00 0.00 H new ATOM 0 HE2 PHE B 31 322.961 11.211 -1.210 1.00 0.00 H new ATOM 0 HZ PHE B 31 324.243 11.878 0.777 1.00 0.00 H new ATOM 1756 N LYS B 32 318.779 5.934 2.175 1.00 0.00 N ATOM 1757 CA LYS B 32 317.827 4.854 1.997 1.00 0.00 C ATOM 1758 C LYS B 32 317.169 5.087 0.659 1.00 0.00 C ATOM 1759 O LYS B 32 316.698 6.186 0.363 1.00 0.00 O ATOM 1760 CB LYS B 32 316.814 4.749 3.139 1.00 0.00 C ATOM 1761 CG LYS B 32 315.554 3.951 2.796 1.00 0.00 C ATOM 1762 CD LYS B 32 314.291 4.657 3.265 1.00 0.00 C ATOM 1763 CE LYS B 32 313.649 3.937 4.442 1.00 0.00 C ATOM 1764 NZ LYS B 32 312.241 3.547 4.153 1.00 0.00 N ATOM 0 H LYS B 32 318.364 6.860 2.276 1.00 0.00 H new ATOM 0 HA LYS B 32 318.339 3.892 2.017 1.00 0.00 H new ATOM 0 HB2 LYS B 32 317.300 4.286 3.998 1.00 0.00 H new ATOM 0 HB3 LYS B 32 316.521 5.754 3.442 1.00 0.00 H new ATOM 0 HG2 LYS B 32 315.504 3.796 1.718 1.00 0.00 H new ATOM 0 HG3 LYS B 32 315.612 2.965 3.257 1.00 0.00 H new ATOM 0 HD2 LYS B 32 314.531 5.681 3.552 1.00 0.00 H new ATOM 0 HD3 LYS B 32 313.579 4.715 2.442 1.00 0.00 H new ATOM 0 HE2 LYS B 32 314.230 3.047 4.684 1.00 0.00 H new ATOM 0 HE3 LYS B 32 313.674 4.582 5.320 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 311.839 3.059 4.979 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 311.680 4.398 3.947 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 312.219 2.911 3.331 1.00 0.00 H new ATOM 1778 N ILE B 33 317.183 4.064 -0.157 1.00 0.00 N ATOM 1779 CA ILE B 33 316.632 4.178 -1.482 1.00 0.00 C ATOM 1780 C ILE B 33 316.160 2.844 -2.022 1.00 0.00 C ATOM 1781 O ILE B 33 316.854 1.836 -1.941 1.00 0.00 O ATOM 1782 CB ILE B 33 317.675 4.791 -2.445 1.00 0.00 C ATOM 1783 CG1 ILE B 33 317.038 5.041 -3.816 1.00 0.00 C ATOM 1784 CG2 ILE B 33 318.888 3.881 -2.564 1.00 0.00 C ATOM 1785 CD1 ILE B 33 317.653 6.187 -4.586 1.00 0.00 C ATOM 0 H ILE B 33 317.568 3.147 0.071 1.00 0.00 H new ATOM 0 HA ILE B 33 315.764 4.834 -1.413 1.00 0.00 H new ATOM 0 HB ILE B 33 318.011 5.747 -2.043 1.00 0.00 H new ATOM 0 HG12 ILE B 33 317.119 4.132 -4.413 1.00 0.00 H new ATOM 0 HG13 ILE B 33 315.975 5.239 -3.679 1.00 0.00 H new ATOM 0 HG21 ILE B 33 319.612 4.327 -3.245 1.00 0.00 H new ATOM 0 HG22 ILE B 33 319.344 3.753 -1.582 1.00 0.00 H new ATOM 0 HG23 ILE B 33 318.578 2.910 -2.949 1.00 0.00 H new ATOM 0 HD11 ILE B 33 317.145 6.296 -5.544 1.00 0.00 H new ATOM 0 HD12 ILE B 33 317.548 7.108 -4.013 1.00 0.00 H new ATOM 0 HD13 ILE B 33 318.710 5.984 -4.757 1.00 0.00 H new ATOM 1797 N LYS B 34 314.968 2.864 -2.582 1.00 0.00 N ATOM 1798 CA LYS B 34 314.367 1.680 -3.159 1.00 0.00 C ATOM 1799 C LYS B 34 315.266 1.087 -4.231 1.00 0.00 C ATOM 1800 O LYS B 34 316.211 0.372 -3.911 1.00 0.00 O ATOM 1801 CB LYS B 34 312.983 2.024 -3.706 1.00 0.00 C ATOM 1802 CG LYS B 34 312.294 0.891 -4.439 1.00 0.00 C ATOM 1803 CD LYS B 34 311.266 1.421 -5.425 1.00 0.00 C ATOM 1804 CE LYS B 34 311.925 2.136 -6.593 1.00 0.00 C ATOM 1805 NZ LYS B 34 310.921 2.745 -7.504 1.00 0.00 N ATOM 0 H LYS B 34 314.389 3.701 -2.650 1.00 0.00 H new ATOM 0 HA LYS B 34 314.250 0.921 -2.386 1.00 0.00 H new ATOM 0 HB2 LYS B 34 312.349 2.343 -2.879 1.00 0.00 H new ATOM 0 HB3 LYS B 34 313.075 2.874 -4.382 1.00 0.00 H new ATOM 0 HG2 LYS B 34 313.035 0.293 -4.969 1.00 0.00 H new ATOM 0 HG3 LYS B 34 311.807 0.232 -3.720 1.00 0.00 H new ATOM 0 HD2 LYS B 34 310.660 0.595 -5.798 1.00 0.00 H new ATOM 0 HD3 LYS B 34 310.590 2.106 -4.913 1.00 0.00 H new ATOM 0 HE2 LYS B 34 312.591 2.912 -6.215 1.00 0.00 H new ATOM 0 HE3 LYS B 34 312.541 1.430 -7.150 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 311.377 2.997 -8.404 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 310.156 2.064 -7.683 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 310.527 3.601 -7.064 1.00 0.00 H new ATOM 1819 N ARG B 35 314.981 1.383 -5.493 1.00 0.00 N ATOM 1820 CA ARG B 35 315.783 0.854 -6.587 1.00 0.00 C ATOM 1821 C ARG B 35 315.494 1.595 -7.892 1.00 0.00 C ATOM 1822 O ARG B 35 316.234 2.493 -8.281 1.00 0.00 O ATOM 1823 CB ARG B 35 315.496 -0.638 -6.786 1.00 0.00 C ATOM 1824 CG ARG B 35 316.177 -1.563 -5.792 1.00 0.00 C ATOM 1825 CD ARG B 35 317.451 -2.159 -6.362 1.00 0.00 C ATOM 1826 NE ARG B 35 317.177 -3.174 -7.376 1.00 0.00 N ATOM 1827 CZ ARG B 35 318.023 -4.151 -7.695 1.00 0.00 C ATOM 1828 NH1 ARG B 35 319.195 -4.253 -7.081 1.00 0.00 N ATOM 1829 NH2 ARG B 35 317.697 -5.029 -8.634 1.00 0.00 N ATOM 0 H ARG B 35 314.207 1.981 -5.782 1.00 0.00 H new ATOM 0 HA ARG B 35 316.831 0.996 -6.324 1.00 0.00 H new ATOM 0 HB2 ARG B 35 314.419 -0.796 -6.727 1.00 0.00 H new ATOM 0 HB3 ARG B 35 315.805 -0.921 -7.792 1.00 0.00 H new ATOM 0 HG2 ARG B 35 316.409 -1.011 -4.881 1.00 0.00 H new ATOM 0 HG3 ARG B 35 315.493 -2.365 -5.513 1.00 0.00 H new ATOM 0 HD2 ARG B 35 318.058 -1.366 -6.798 1.00 0.00 H new ATOM 0 HD3 ARG B 35 318.036 -2.601 -5.556 1.00 0.00 H new ATOM 0 HE ARG B 35 316.285 -3.132 -7.869 1.00 0.00 H new ATOM 0 HH11 ARG B 35 319.453 -3.580 -6.359 1.00 0.00 H new ATOM 0 HH12 ARG B 35 319.838 -5.004 -7.331 1.00 0.00 H new ATOM 0 HH21 ARG B 35 316.799 -4.955 -9.111 1.00 0.00 H new ATOM 0 HH22 ARG B 35 318.345 -5.778 -8.879 1.00 0.00 H new ATOM 1843 N HIS B 36 314.411 1.190 -8.567 1.00 0.00 N ATOM 1844 CA HIS B 36 313.997 1.779 -9.847 1.00 0.00 C ATOM 1845 C HIS B 36 314.078 3.306 -9.846 1.00 0.00 C ATOM 1846 O HIS B 36 314.114 3.930 -10.906 1.00 0.00 O ATOM 1847 CB HIS B 36 312.572 1.315 -10.188 1.00 0.00 C ATOM 1848 CG HIS B 36 311.826 2.233 -11.111 1.00 0.00 C ATOM 1849 ND1 HIS B 36 310.890 3.150 -10.674 1.00 0.00 N ATOM 1850 CD2 HIS B 36 311.882 2.372 -12.457 1.00 0.00 C ATOM 1851 CE1 HIS B 36 310.405 3.810 -11.710 1.00 0.00 C ATOM 1852 NE2 HIS B 36 310.991 3.357 -12.804 1.00 0.00 N ATOM 0 H HIS B 36 313.796 0.444 -8.241 1.00 0.00 H new ATOM 0 HA HIS B 36 314.693 1.432 -10.611 1.00 0.00 H new ATOM 0 HB2 HIS B 36 312.624 0.326 -10.643 1.00 0.00 H new ATOM 0 HB3 HIS B 36 312.006 1.211 -9.263 1.00 0.00 H new ATOM 0 HD2 HIS B 36 312.511 1.812 -13.132 1.00 0.00 H new ATOM 0 HE1 HIS B 36 309.657 4.588 -11.670 1.00 0.00 H new ATOM 0 HE2 HIS B 36 310.811 3.686 -13.753 1.00 0.00 H new ATOM 1861 N THR B 37 314.123 3.901 -8.666 1.00 0.00 N ATOM 1862 CA THR B 37 314.218 5.345 -8.559 1.00 0.00 C ATOM 1863 C THR B 37 315.609 5.825 -8.912 1.00 0.00 C ATOM 1864 O THR B 37 316.614 5.399 -8.343 1.00 0.00 O ATOM 1865 CB THR B 37 313.864 5.811 -7.157 1.00 0.00 C ATOM 1866 OG1 THR B 37 312.460 5.793 -6.965 1.00 0.00 O ATOM 1867 CG2 THR B 37 314.357 7.214 -6.851 1.00 0.00 C ATOM 0 H THR B 37 314.095 3.408 -7.773 1.00 0.00 H new ATOM 0 HA THR B 37 313.506 5.771 -9.266 1.00 0.00 H new ATOM 0 HB THR B 37 314.363 5.115 -6.483 1.00 0.00 H new ATOM 0 HG1 THR B 37 312.250 6.094 -6.056 1.00 0.00 H new ATOM 0 HG21 THR B 37 314.072 7.486 -5.835 1.00 0.00 H new ATOM 0 HG22 THR B 37 315.443 7.247 -6.944 1.00 0.00 H new ATOM 0 HG23 THR B 37 313.911 7.918 -7.554 1.00 0.00 H new ATOM 1875 N PRO B 38 315.645 6.759 -9.847 1.00 0.00 N ATOM 1876 CA PRO B 38 316.871 7.387 -10.310 1.00 0.00 C ATOM 1877 C PRO B 38 317.754 7.790 -9.140 1.00 0.00 C ATOM 1878 O PRO B 38 317.250 8.131 -8.070 1.00 0.00 O ATOM 1879 CB PRO B 38 316.366 8.623 -11.040 1.00 0.00 C ATOM 1880 CG PRO B 38 314.960 8.307 -11.441 1.00 0.00 C ATOM 1881 CD PRO B 38 314.449 7.290 -10.498 1.00 0.00 C ATOM 0 HA PRO B 38 317.478 6.728 -10.931 1.00 0.00 H new ATOM 0 HB2 PRO B 38 316.402 9.501 -10.395 1.00 0.00 H new ATOM 0 HB3 PRO B 38 316.982 8.843 -11.912 1.00 0.00 H new ATOM 0 HG2 PRO B 38 314.341 9.204 -11.410 1.00 0.00 H new ATOM 0 HG3 PRO B 38 314.928 7.932 -12.464 1.00 0.00 H new ATOM 0 HD2 PRO B 38 313.765 7.730 -9.773 1.00 0.00 H new ATOM 0 HD3 PRO B 38 313.900 6.506 -11.019 1.00 0.00 H new ATOM 1889 N LEU B 39 319.063 7.734 -9.324 1.00 0.00 N ATOM 1890 CA LEU B 39 319.967 8.082 -8.245 1.00 0.00 C ATOM 1891 C LEU B 39 319.980 9.580 -7.969 1.00 0.00 C ATOM 1892 O LEU B 39 320.381 9.997 -6.884 1.00 0.00 O ATOM 1893 CB LEU B 39 321.371 7.538 -8.496 1.00 0.00 C ATOM 1894 CG LEU B 39 321.531 6.071 -8.093 1.00 0.00 C ATOM 1895 CD1 LEU B 39 322.805 5.473 -8.666 1.00 0.00 C ATOM 1896 CD2 LEU B 39 321.512 5.939 -6.575 1.00 0.00 C ATOM 0 H LEU B 39 319.515 7.456 -10.195 1.00 0.00 H new ATOM 0 HA LEU B 39 319.589 7.602 -7.343 1.00 0.00 H new ATOM 0 HB2 LEU B 39 321.611 7.646 -9.554 1.00 0.00 H new ATOM 0 HB3 LEU B 39 322.091 8.141 -7.943 1.00 0.00 H new ATOM 0 HG LEU B 39 320.691 5.513 -8.507 1.00 0.00 H new ATOM 0 HD11 LEU B 39 322.887 4.430 -8.360 1.00 0.00 H new ATOM 0 HD12 LEU B 39 322.777 5.531 -9.754 1.00 0.00 H new ATOM 0 HD13 LEU B 39 323.666 6.029 -8.295 1.00 0.00 H new ATOM 0 HD21 LEU B 39 321.627 4.891 -6.299 1.00 0.00 H new ATOM 0 HD22 LEU B 39 322.332 6.518 -6.149 1.00 0.00 H new ATOM 0 HD23 LEU B 39 320.564 6.314 -6.189 1.00 0.00 H new ATOM 1908 N SER B 40 319.519 10.407 -8.918 1.00 0.00 N ATOM 1909 CA SER B 40 319.473 11.851 -8.694 1.00 0.00 C ATOM 1910 C SER B 40 318.570 12.180 -7.509 1.00 0.00 C ATOM 1911 O SER B 40 318.587 13.298 -6.994 1.00 0.00 O ATOM 1912 CB SER B 40 318.968 12.576 -9.944 1.00 0.00 C ATOM 1913 OG SER B 40 319.911 13.531 -10.397 1.00 0.00 O ATOM 0 H SER B 40 319.179 10.104 -9.831 1.00 0.00 H new ATOM 0 HA SER B 40 320.485 12.190 -8.474 1.00 0.00 H new ATOM 0 HB2 SER B 40 318.772 11.851 -10.734 1.00 0.00 H new ATOM 0 HB3 SER B 40 318.022 13.071 -9.724 1.00 0.00 H new ATOM 0 HG SER B 40 319.565 13.978 -11.197 1.00 0.00 H new ATOM 1919 N LYS B 41 317.827 11.179 -7.045 1.00 0.00 N ATOM 1920 CA LYS B 41 316.973 11.318 -5.896 1.00 0.00 C ATOM 1921 C LYS B 41 317.831 11.115 -4.652 1.00 0.00 C ATOM 1922 O LYS B 41 317.556 11.636 -3.572 1.00 0.00 O ATOM 1923 CB LYS B 41 315.894 10.261 -5.977 1.00 0.00 C ATOM 1924 CG LYS B 41 314.602 10.756 -6.596 1.00 0.00 C ATOM 1925 CD LYS B 41 314.537 10.431 -8.080 1.00 0.00 C ATOM 1926 CE LYS B 41 313.104 10.280 -8.548 1.00 0.00 C ATOM 1927 NZ LYS B 41 312.227 11.359 -8.016 1.00 0.00 N ATOM 0 H LYS B 41 317.809 10.250 -7.465 1.00 0.00 H new ATOM 0 HA LYS B 41 316.504 12.301 -5.857 1.00 0.00 H new ATOM 0 HB2 LYS B 41 316.266 9.418 -6.560 1.00 0.00 H new ATOM 0 HB3 LYS B 41 315.687 9.888 -4.974 1.00 0.00 H new ATOM 0 HG2 LYS B 41 313.754 10.300 -6.085 1.00 0.00 H new ATOM 0 HG3 LYS B 41 314.518 11.833 -6.454 1.00 0.00 H new ATOM 0 HD2 LYS B 41 315.026 11.221 -8.649 1.00 0.00 H new ATOM 0 HD3 LYS B 41 315.085 9.510 -8.277 1.00 0.00 H new ATOM 0 HE2 LYS B 41 313.075 10.294 -9.638 1.00 0.00 H new ATOM 0 HE3 LYS B 41 312.719 9.311 -8.231 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 311.340 11.385 -8.559 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 312.015 11.172 -7.015 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 312.712 12.275 -8.102 1.00 0.00 H new ATOM 1941 N LEU B 42 318.888 10.332 -4.862 1.00 0.00 N ATOM 1942 CA LEU B 42 319.863 9.982 -3.850 1.00 0.00 C ATOM 1943 C LEU B 42 321.002 11.004 -3.804 1.00 0.00 C ATOM 1944 O LEU B 42 321.496 11.354 -2.734 1.00 0.00 O ATOM 1945 CB LEU B 42 320.422 8.606 -4.210 1.00 0.00 C ATOM 1946 CG LEU B 42 321.081 7.826 -3.081 1.00 0.00 C ATOM 1947 CD1 LEU B 42 320.697 6.369 -3.166 1.00 0.00 C ATOM 1948 CD2 LEU B 42 322.589 7.999 -3.151 1.00 0.00 C ATOM 0 H LEU B 42 319.089 9.915 -5.771 1.00 0.00 H new ATOM 0 HA LEU B 42 319.389 9.972 -2.868 1.00 0.00 H new ATOM 0 HB2 LEU B 42 319.609 8.002 -4.613 1.00 0.00 H new ATOM 0 HB3 LEU B 42 321.152 8.732 -5.009 1.00 0.00 H new ATOM 0 HG LEU B 42 320.734 8.211 -2.122 1.00 0.00 H new ATOM 0 HD11 LEU B 42 321.173 5.819 -2.354 1.00 0.00 H new ATOM 0 HD12 LEU B 42 319.614 6.273 -3.083 1.00 0.00 H new ATOM 0 HD13 LEU B 42 321.026 5.961 -4.122 1.00 0.00 H new ATOM 0 HD21 LEU B 42 323.057 7.439 -2.341 1.00 0.00 H new ATOM 0 HD22 LEU B 42 322.954 7.626 -4.108 1.00 0.00 H new ATOM 0 HD23 LEU B 42 322.839 9.055 -3.054 1.00 0.00 H new ATOM 1960 N MET B 43 321.431 11.445 -4.985 1.00 0.00 N ATOM 1961 CA MET B 43 322.541 12.392 -5.117 1.00 0.00 C ATOM 1962 C MET B 43 322.316 13.710 -4.357 1.00 0.00 C ATOM 1963 O MET B 43 323.273 14.309 -3.866 1.00 0.00 O ATOM 1964 CB MET B 43 322.818 12.668 -6.600 1.00 0.00 C ATOM 1965 CG MET B 43 323.066 11.404 -7.418 1.00 0.00 C ATOM 1966 SD MET B 43 324.667 11.394 -8.260 1.00 0.00 S ATOM 1967 CE MET B 43 324.786 9.663 -8.719 1.00 0.00 C ATOM 0 H MET B 43 321.022 11.159 -5.875 1.00 0.00 H new ATOM 0 HA MET B 43 323.411 11.923 -4.657 1.00 0.00 H new ATOM 0 HB2 MET B 43 321.971 13.206 -7.026 1.00 0.00 H new ATOM 0 HB3 MET B 43 323.686 13.322 -6.684 1.00 0.00 H new ATOM 0 HG2 MET B 43 323.005 10.537 -6.760 1.00 0.00 H new ATOM 0 HG3 MET B 43 322.274 11.299 -8.159 1.00 0.00 H new ATOM 0 HE1 MET B 43 325.594 9.532 -9.439 1.00 0.00 H new ATOM 0 HE2 MET B 43 324.991 9.064 -7.831 1.00 0.00 H new ATOM 0 HE3 MET B 43 323.846 9.340 -9.166 1.00 0.00 H new ATOM 1977 N LYS B 44 321.066 14.159 -4.252 1.00 0.00 N ATOM 1978 CA LYS B 44 320.782 15.409 -3.533 1.00 0.00 C ATOM 1979 C LYS B 44 320.947 15.214 -2.034 1.00 0.00 C ATOM 1980 O LYS B 44 321.524 16.061 -1.353 1.00 0.00 O ATOM 1981 CB LYS B 44 319.384 15.942 -3.832 1.00 0.00 C ATOM 1982 CG LYS B 44 319.030 17.240 -3.090 1.00 0.00 C ATOM 1983 CD LYS B 44 320.234 18.103 -2.754 1.00 0.00 C ATOM 1984 CE LYS B 44 320.262 19.360 -3.604 1.00 0.00 C ATOM 1985 NZ LYS B 44 319.304 20.389 -3.115 1.00 0.00 N ATOM 0 H LYS B 44 320.248 13.692 -4.644 1.00 0.00 H new ATOM 0 HA LYS B 44 321.503 16.147 -3.885 1.00 0.00 H new ATOM 0 HB2 LYS B 44 319.295 16.115 -4.905 1.00 0.00 H new ATOM 0 HB3 LYS B 44 318.653 15.177 -3.571 1.00 0.00 H new ATOM 0 HG2 LYS B 44 318.339 17.820 -3.701 1.00 0.00 H new ATOM 0 HG3 LYS B 44 318.506 16.989 -2.168 1.00 0.00 H new ATOM 0 HD2 LYS B 44 320.207 18.375 -1.699 1.00 0.00 H new ATOM 0 HD3 LYS B 44 321.149 17.533 -2.913 1.00 0.00 H new ATOM 0 HE2 LYS B 44 321.270 19.775 -3.604 1.00 0.00 H new ATOM 0 HE3 LYS B 44 320.023 19.104 -4.636 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 319.357 21.230 -3.725 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 318.338 20.004 -3.139 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 319.547 20.653 -2.139 1.00 0.00 H new ATOM 1999 N ALA B 45 320.408 14.109 -1.521 1.00 0.00 N ATOM 2000 CA ALA B 45 320.475 13.831 -0.087 1.00 0.00 C ATOM 2001 C ALA B 45 321.821 14.259 0.466 1.00 0.00 C ATOM 2002 O ALA B 45 321.887 15.004 1.445 1.00 0.00 O ATOM 2003 CB ALA B 45 320.256 12.350 0.200 1.00 0.00 C ATOM 0 H ALA B 45 319.925 13.398 -2.070 1.00 0.00 H new ATOM 0 HA ALA B 45 319.682 14.399 0.399 1.00 0.00 H new ATOM 0 HB1 ALA B 45 320.312 12.175 1.274 1.00 0.00 H new ATOM 0 HB2 ALA B 45 319.274 12.050 -0.166 1.00 0.00 H new ATOM 0 HB3 ALA B 45 321.025 11.764 -0.303 1.00 0.00 H new ATOM 2009 N TYR B 46 322.896 13.791 -0.153 1.00 0.00 N ATOM 2010 CA TYR B 46 324.220 14.148 0.313 1.00 0.00 C ATOM 2011 C TYR B 46 324.374 15.651 0.430 1.00 0.00 C ATOM 2012 O TYR B 46 324.757 16.148 1.485 1.00 0.00 O ATOM 2013 CB TYR B 46 325.315 13.581 -0.578 1.00 0.00 C ATOM 2014 CG TYR B 46 326.518 13.101 0.205 1.00 0.00 C ATOM 2015 CD1 TYR B 46 326.515 13.080 1.596 1.00 0.00 C ATOM 2016 CD2 TYR B 46 327.651 12.660 -0.449 1.00 0.00 C ATOM 2017 CE1 TYR B 46 327.602 12.635 2.305 1.00 0.00 C ATOM 2018 CE2 TYR B 46 328.751 12.207 0.252 1.00 0.00 C ATOM 2019 CZ TYR B 46 328.723 12.194 1.632 1.00 0.00 C ATOM 2020 OH TYR B 46 329.819 11.749 2.337 1.00 0.00 O ATOM 0 H TYR B 46 322.875 13.174 -0.965 1.00 0.00 H new ATOM 0 HA TYR B 46 324.331 13.704 1.302 1.00 0.00 H new ATOM 0 HB2 TYR B 46 324.911 12.752 -1.159 1.00 0.00 H new ATOM 0 HB3 TYR B 46 325.631 14.345 -1.289 1.00 0.00 H new ATOM 0 HD1 TYR B 46 325.639 13.421 2.128 1.00 0.00 H new ATOM 0 HD2 TYR B 46 327.677 12.669 -1.529 1.00 0.00 H new ATOM 0 HE1 TYR B 46 327.580 12.630 3.385 1.00 0.00 H new ATOM 0 HE2 TYR B 46 329.628 11.865 -0.277 1.00 0.00 H new ATOM 0 HH TYR B 46 329.525 11.361 3.188 1.00 0.00 H new ATOM 2030 N CYS B 47 324.059 16.393 -0.630 1.00 0.00 N ATOM 2031 CA CYS B 47 324.149 17.845 -0.587 1.00 0.00 C ATOM 2032 C CYS B 47 323.480 18.357 0.681 1.00 0.00 C ATOM 2033 O CYS B 47 324.100 19.004 1.518 1.00 0.00 O ATOM 2034 CB CYS B 47 323.419 18.415 -1.803 1.00 0.00 C ATOM 2035 SG CYS B 47 323.192 20.209 -1.786 1.00 0.00 S ATOM 0 H CYS B 47 323.742 16.013 -1.522 1.00 0.00 H new ATOM 0 HA CYS B 47 325.195 18.153 -0.595 1.00 0.00 H new ATOM 0 HB2 CYS B 47 323.973 18.142 -2.701 1.00 0.00 H new ATOM 0 HB3 CYS B 47 322.440 17.941 -1.876 1.00 0.00 H new ATOM 0 HG CYS B 47 321.934 20.486 -1.611 1.00 0.00 H new ATOM 2041 N GLU B 48 322.196 18.041 0.805 1.00 0.00 N ATOM 2042 CA GLU B 48 321.413 18.443 1.965 1.00 0.00 C ATOM 2043 C GLU B 48 322.049 17.907 3.253 1.00 0.00 C ATOM 2044 O GLU B 48 321.763 18.386 4.350 1.00 0.00 O ATOM 2045 CB GLU B 48 319.966 17.934 1.851 1.00 0.00 C ATOM 2046 CG GLU B 48 319.408 17.919 0.432 1.00 0.00 C ATOM 2047 CD GLU B 48 318.006 17.347 0.366 1.00 0.00 C ATOM 2048 OE1 GLU B 48 317.048 18.088 0.668 1.00 0.00 O ATOM 2049 OE2 GLU B 48 317.866 16.157 0.011 1.00 0.00 O ATOM 0 H GLU B 48 321.674 17.505 0.112 1.00 0.00 H new ATOM 0 HA GLU B 48 321.400 19.532 2.000 1.00 0.00 H new ATOM 0 HB2 GLU B 48 319.917 16.924 2.257 1.00 0.00 H new ATOM 0 HB3 GLU B 48 319.325 18.559 2.473 1.00 0.00 H new ATOM 0 HG2 GLU B 48 319.402 18.935 0.037 1.00 0.00 H new ATOM 0 HG3 GLU B 48 320.067 17.332 -0.208 1.00 0.00 H new ATOM 2056 N ARG B 49 322.899 16.891 3.098 1.00 0.00 N ATOM 2057 CA ARG B 49 323.576 16.239 4.203 1.00 0.00 C ATOM 2058 C ARG B 49 324.883 16.936 4.581 1.00 0.00 C ATOM 2059 O ARG B 49 325.091 17.319 5.733 1.00 0.00 O ATOM 2060 CB ARG B 49 323.900 14.823 3.757 1.00 0.00 C ATOM 2061 CG ARG B 49 323.083 13.742 4.423 1.00 0.00 C ATOM 2062 CD ARG B 49 322.878 12.577 3.478 1.00 0.00 C ATOM 2063 NE ARG B 49 321.477 12.464 3.078 1.00 0.00 N ATOM 2064 CZ ARG B 49 320.637 11.541 3.549 1.00 0.00 C ATOM 2065 NH1 ARG B 49 321.047 10.640 4.434 1.00 0.00 N ATOM 2066 NH2 ARG B 49 319.375 11.528 3.142 1.00 0.00 N ATOM 0 H ARG B 49 323.135 16.498 2.187 1.00 0.00 H new ATOM 0 HA ARG B 49 322.925 16.268 5.077 1.00 0.00 H new ATOM 0 HB2 ARG B 49 323.754 14.755 2.679 1.00 0.00 H new ATOM 0 HB3 ARG B 49 324.956 14.630 3.949 1.00 0.00 H new ATOM 0 HG2 ARG B 49 323.588 13.401 5.327 1.00 0.00 H new ATOM 0 HG3 ARG B 49 322.117 14.144 4.730 1.00 0.00 H new ATOM 0 HD2 ARG B 49 323.502 12.708 2.594 1.00 0.00 H new ATOM 0 HD3 ARG B 49 323.197 11.653 3.960 1.00 0.00 H new ATOM 0 HE ARG B 49 321.119 13.133 2.396 1.00 0.00 H new ATOM 0 HH11 ARG B 49 322.013 10.649 4.761 1.00 0.00 H new ATOM 0 HH12 ARG B 49 320.396 9.939 4.787 1.00 0.00 H new ATOM 0 HH21 ARG B 49 319.049 12.223 2.470 1.00 0.00 H new ATOM 0 HH22 ARG B 49 318.731 10.823 3.501 1.00 0.00 H new ATOM 2080 N GLN B 50 325.767 17.061 3.598 1.00 0.00 N ATOM 2081 CA GLN B 50 327.076 17.669 3.794 1.00 0.00 C ATOM 2082 C GLN B 50 327.055 19.165 3.537 1.00 0.00 C ATOM 2083 O GLN B 50 327.903 19.906 4.036 1.00 0.00 O ATOM 2084 CB GLN B 50 328.077 17.022 2.855 1.00 0.00 C ATOM 2085 CG GLN B 50 328.305 15.547 3.110 1.00 0.00 C ATOM 2086 CD GLN B 50 329.416 14.990 2.248 1.00 0.00 C ATOM 2087 OE1 GLN B 50 329.120 14.800 0.969 1.00 0.00 O flip ATOM 2088 NE2 GLN B 50 330.523 14.736 2.722 1.00 0.00 N flip ATOM 0 H GLN B 50 325.596 16.744 2.644 1.00 0.00 H new ATOM 0 HA GLN B 50 327.361 17.509 4.834 1.00 0.00 H new ATOM 0 HB2 GLN B 50 327.733 17.153 1.829 1.00 0.00 H new ATOM 0 HB3 GLN B 50 329.029 17.545 2.941 1.00 0.00 H new ATOM 0 HG2 GLN B 50 328.550 15.394 4.161 1.00 0.00 H new ATOM 0 HG3 GLN B 50 327.384 14.998 2.914 1.00 0.00 H new ATOM 0 HE21 GLN B 50 330.703 14.899 3.713 1.00 0.00 H new ATOM 0 HE22 GLN B 50 331.260 14.362 2.124 1.00 0.00 H new ATOM 2097 N GLY B 51 326.112 19.595 2.717 1.00 0.00 N ATOM 2098 CA GLY B 51 326.027 20.990 2.357 1.00 0.00 C ATOM 2099 C GLY B 51 326.780 21.237 1.071 1.00 0.00 C ATOM 2100 O GLY B 51 327.717 22.034 1.025 1.00 0.00 O ATOM 0 H GLY B 51 325.401 18.999 2.293 1.00 0.00 H new ATOM 0 HA2 GLY B 51 324.983 21.281 2.239 1.00 0.00 H new ATOM 0 HA3 GLY B 51 326.441 21.606 3.155 1.00 0.00 H new ATOM 2104 N LEU B 52 326.363 20.535 0.022 1.00 0.00 N ATOM 2105 CA LEU B 52 326.973 20.634 -1.294 1.00 0.00 C ATOM 2106 C LEU B 52 325.980 21.314 -2.235 1.00 0.00 C ATOM 2107 O LEU B 52 325.246 22.205 -1.807 1.00 0.00 O ATOM 2108 CB LEU B 52 327.311 19.220 -1.772 1.00 0.00 C ATOM 2109 CG LEU B 52 328.018 18.372 -0.715 1.00 0.00 C ATOM 2110 CD1 LEU B 52 327.487 16.950 -0.681 1.00 0.00 C ATOM 2111 CD2 LEU B 52 329.504 18.397 -0.964 1.00 0.00 C ATOM 0 H LEU B 52 325.585 19.876 0.065 1.00 0.00 H new ATOM 0 HA LEU B 52 327.889 21.224 -1.269 1.00 0.00 H new ATOM 0 HB2 LEU B 52 326.392 18.718 -2.074 1.00 0.00 H new ATOM 0 HB3 LEU B 52 327.944 19.286 -2.657 1.00 0.00 H new ATOM 0 HG LEU B 52 327.814 18.801 0.266 1.00 0.00 H new ATOM 0 HD11 LEU B 52 328.017 16.382 0.084 1.00 0.00 H new ATOM 0 HD12 LEU B 52 326.422 16.965 -0.450 1.00 0.00 H new ATOM 0 HD13 LEU B 52 327.641 16.481 -1.653 1.00 0.00 H new ATOM 0 HD21 LEU B 52 330.009 17.793 -0.211 1.00 0.00 H new ATOM 0 HD22 LEU B 52 329.714 17.993 -1.954 1.00 0.00 H new ATOM 0 HD23 LEU B 52 329.865 19.424 -0.907 1.00 0.00 H new ATOM 2123 N SER B 53 325.918 20.894 -3.496 1.00 0.00 N ATOM 2124 CA SER B 53 324.980 21.455 -4.439 1.00 0.00 C ATOM 2125 C SER B 53 324.202 20.337 -5.150 1.00 0.00 C ATOM 2126 O SER B 53 323.362 20.607 -6.008 1.00 0.00 O ATOM 2127 CB SER B 53 325.729 22.294 -5.457 1.00 0.00 C ATOM 2128 OG SER B 53 327.089 22.457 -5.090 1.00 0.00 O ATOM 0 H SER B 53 326.514 20.162 -3.881 1.00 0.00 H new ATOM 0 HA SER B 53 324.269 22.083 -3.903 1.00 0.00 H new ATOM 0 HB2 SER B 53 325.669 21.820 -6.437 1.00 0.00 H new ATOM 0 HB3 SER B 53 325.254 23.271 -5.546 1.00 0.00 H new ATOM 0 HG SER B 53 327.213 23.337 -4.676 1.00 0.00 H new ATOM 2134 N MET B 54 324.517 19.083 -4.801 1.00 0.00 N ATOM 2135 CA MET B 54 323.884 17.907 -5.407 1.00 0.00 C ATOM 2136 C MET B 54 324.419 17.705 -6.807 1.00 0.00 C ATOM 2137 O MET B 54 325.247 16.834 -7.061 1.00 0.00 O ATOM 2138 CB MET B 54 322.355 18.035 -5.450 1.00 0.00 C ATOM 2139 CG MET B 54 321.695 16.967 -6.305 1.00 0.00 C ATOM 2140 SD MET B 54 320.932 17.635 -7.796 1.00 0.00 S ATOM 2141 CE MET B 54 319.788 18.816 -7.087 1.00 0.00 C ATOM 0 H MET B 54 325.215 18.857 -4.093 1.00 0.00 H new ATOM 0 HA MET B 54 324.126 17.044 -4.786 1.00 0.00 H new ATOM 0 HB2 MET B 54 321.962 17.975 -4.435 1.00 0.00 H new ATOM 0 HB3 MET B 54 322.089 19.019 -5.837 1.00 0.00 H new ATOM 0 HG2 MET B 54 322.440 16.222 -6.586 1.00 0.00 H new ATOM 0 HG3 MET B 54 320.937 16.453 -5.714 1.00 0.00 H new ATOM 0 HE1 MET B 54 319.020 19.063 -7.820 1.00 0.00 H new ATOM 0 HE2 MET B 54 319.320 18.384 -6.202 1.00 0.00 H new ATOM 0 HE3 MET B 54 320.327 19.721 -6.807 1.00 0.00 H new ATOM 2151 N ARG B 55 323.941 18.529 -7.707 1.00 0.00 N ATOM 2152 CA ARG B 55 324.363 18.484 -9.091 1.00 0.00 C ATOM 2153 C ARG B 55 325.876 18.659 -9.182 1.00 0.00 C ATOM 2154 O ARG B 55 326.535 18.066 -10.036 1.00 0.00 O ATOM 2155 CB ARG B 55 323.667 19.607 -9.866 1.00 0.00 C ATOM 2156 CG ARG B 55 323.263 20.777 -8.978 1.00 0.00 C ATOM 2157 CD ARG B 55 323.156 22.081 -9.752 1.00 0.00 C ATOM 2158 NE ARG B 55 324.270 22.270 -10.682 1.00 0.00 N ATOM 2159 CZ ARG B 55 324.210 21.998 -11.986 1.00 0.00 C ATOM 2160 NH1 ARG B 55 323.106 21.490 -12.520 1.00 0.00 N ATOM 2161 NH2 ARG B 55 325.265 22.225 -12.757 1.00 0.00 N ATOM 0 H ARG B 55 323.249 19.250 -7.504 1.00 0.00 H new ATOM 0 HA ARG B 55 324.093 17.519 -9.520 1.00 0.00 H new ATOM 0 HB2 ARG B 55 324.332 19.966 -10.651 1.00 0.00 H new ATOM 0 HB3 ARG B 55 322.780 19.207 -10.357 1.00 0.00 H new ATOM 0 HG2 ARG B 55 322.305 20.558 -8.506 1.00 0.00 H new ATOM 0 HG3 ARG B 55 323.994 20.892 -8.177 1.00 0.00 H new ATOM 0 HD2 ARG B 55 322.217 22.096 -10.306 1.00 0.00 H new ATOM 0 HD3 ARG B 55 323.126 22.915 -9.051 1.00 0.00 H new ATOM 0 HE ARG B 55 325.148 22.633 -10.309 1.00 0.00 H new ATOM 0 HH11 ARG B 55 322.294 21.304 -11.932 1.00 0.00 H new ATOM 0 HH12 ARG B 55 323.070 21.285 -13.519 1.00 0.00 H new ATOM 0 HH21 ARG B 55 326.120 22.607 -12.352 1.00 0.00 H new ATOM 0 HH22 ARG B 55 325.222 22.018 -13.755 1.00 0.00 H new ATOM 2175 N GLN B 56 326.404 19.529 -8.324 1.00 0.00 N ATOM 2176 CA GLN B 56 327.820 19.867 -8.310 1.00 0.00 C ATOM 2177 C GLN B 56 328.746 18.718 -7.938 1.00 0.00 C ATOM 2178 O GLN B 56 329.878 18.681 -8.413 1.00 0.00 O ATOM 2179 CB GLN B 56 328.043 21.010 -7.327 1.00 0.00 C ATOM 2180 CG GLN B 56 327.747 22.380 -7.918 1.00 0.00 C ATOM 2181 CD GLN B 56 328.467 23.499 -7.193 1.00 0.00 C ATOM 2182 OE1 GLN B 56 329.660 23.401 -6.906 1.00 0.00 O ATOM 2183 NE2 GLN B 56 327.744 24.571 -6.892 1.00 0.00 N ATOM 0 H GLN B 56 325.857 20.020 -7.617 1.00 0.00 H new ATOM 0 HA GLN B 56 328.073 20.143 -9.334 1.00 0.00 H new ATOM 0 HB2 GLN B 56 327.412 20.856 -6.452 1.00 0.00 H new ATOM 0 HB3 GLN B 56 329.077 20.987 -6.982 1.00 0.00 H new ATOM 0 HG2 GLN B 56 328.037 22.388 -8.969 1.00 0.00 H new ATOM 0 HG3 GLN B 56 326.673 22.562 -7.882 1.00 0.00 H new ATOM 0 HE21 GLN B 56 326.758 24.610 -7.149 1.00 0.00 H new ATOM 0 HE22 GLN B 56 328.175 25.356 -6.404 1.00 0.00 H new ATOM 2192 N ILE B 57 328.312 17.805 -7.072 1.00 0.00 N ATOM 2193 CA ILE B 57 329.187 16.717 -6.642 1.00 0.00 C ATOM 2194 C ILE B 57 329.384 15.671 -7.713 1.00 0.00 C ATOM 2195 O ILE B 57 328.793 15.736 -8.790 1.00 0.00 O ATOM 2196 CB ILE B 57 328.691 16.015 -5.356 1.00 0.00 C ATOM 2197 CG1 ILE B 57 327.169 15.884 -5.347 1.00 0.00 C ATOM 2198 CG2 ILE B 57 329.159 16.769 -4.125 1.00 0.00 C ATOM 2199 CD1 ILE B 57 326.575 16.126 -3.987 1.00 0.00 C ATOM 0 H ILE B 57 327.379 17.795 -6.661 1.00 0.00 H new ATOM 0 HA ILE B 57 330.140 17.203 -6.434 1.00 0.00 H new ATOM 0 HB ILE B 57 329.117 15.012 -5.339 1.00 0.00 H new ATOM 0 HG12 ILE B 57 326.743 16.593 -6.057 1.00 0.00 H new ATOM 0 HG13 ILE B 57 326.892 14.886 -5.688 1.00 0.00 H new ATOM 0 HG21 ILE B 57 328.801 16.261 -3.229 1.00 0.00 H new ATOM 0 HG22 ILE B 57 330.248 16.803 -4.112 1.00 0.00 H new ATOM 0 HG23 ILE B 57 328.764 17.785 -4.148 1.00 0.00 H new ATOM 0 HD11 ILE B 57 325.491 16.020 -4.039 1.00 0.00 H new ATOM 0 HD12 ILE B 57 326.977 15.400 -3.280 1.00 0.00 H new ATOM 0 HD13 ILE B 57 326.825 17.133 -3.655 1.00 0.00 H new ATOM 2211 N ARG B 58 330.231 14.705 -7.394 1.00 0.00 N ATOM 2212 CA ARG B 58 330.555 13.617 -8.293 1.00 0.00 C ATOM 2213 C ARG B 58 330.275 12.307 -7.595 1.00 0.00 C ATOM 2214 O ARG B 58 330.811 12.063 -6.521 1.00 0.00 O ATOM 2215 CB ARG B 58 332.019 13.688 -8.660 1.00 0.00 C ATOM 2216 CG ARG B 58 332.425 15.072 -9.083 1.00 0.00 C ATOM 2217 CD ARG B 58 331.919 15.374 -10.475 1.00 0.00 C ATOM 2218 NE ARG B 58 330.468 15.271 -10.599 1.00 0.00 N ATOM 2219 CZ ARG B 58 329.844 14.497 -11.489 1.00 0.00 C ATOM 2220 NH1 ARG B 58 330.535 13.747 -12.340 1.00 0.00 N ATOM 2221 NH2 ARG B 58 328.519 14.477 -11.529 1.00 0.00 N ATOM 0 H ARG B 58 330.714 14.657 -6.497 1.00 0.00 H new ATOM 0 HA ARG B 58 329.952 13.691 -9.198 1.00 0.00 H new ATOM 0 HB2 ARG B 58 332.622 13.378 -7.807 1.00 0.00 H new ATOM 0 HB3 ARG B 58 332.225 12.986 -9.468 1.00 0.00 H new ATOM 0 HG2 ARG B 58 332.028 15.804 -8.379 1.00 0.00 H new ATOM 0 HG3 ARG B 58 333.511 15.162 -9.058 1.00 0.00 H new ATOM 0 HD2 ARG B 58 332.230 16.380 -10.756 1.00 0.00 H new ATOM 0 HD3 ARG B 58 332.386 14.687 -11.181 1.00 0.00 H new ATOM 0 HE ARG B 58 329.894 15.826 -9.964 1.00 0.00 H new ATOM 0 HH11 ARG B 58 331.555 13.758 -12.318 1.00 0.00 H new ATOM 0 HH12 ARG B 58 330.046 13.160 -13.015 1.00 0.00 H new ATOM 0 HH21 ARG B 58 327.980 15.052 -10.881 1.00 0.00 H new ATOM 0 HH22 ARG B 58 328.038 13.887 -12.208 1.00 0.00 H new ATOM 2235 N PHE B 59 329.438 11.470 -8.174 1.00 0.00 N ATOM 2236 CA PHE B 59 329.119 10.203 -7.533 1.00 0.00 C ATOM 2237 C PHE B 59 329.662 9.010 -8.292 1.00 0.00 C ATOM 2238 O PHE B 59 329.891 9.051 -9.500 1.00 0.00 O ATOM 2239 CB PHE B 59 327.613 10.001 -7.374 1.00 0.00 C ATOM 2240 CG PHE B 59 326.989 10.708 -6.209 1.00 0.00 C ATOM 2241 CD1 PHE B 59 327.406 11.969 -5.823 1.00 0.00 C ATOM 2242 CD2 PHE B 59 325.969 10.098 -5.500 1.00 0.00 C ATOM 2243 CE1 PHE B 59 326.816 12.604 -4.748 1.00 0.00 C ATOM 2244 CE2 PHE B 59 325.379 10.727 -4.426 1.00 0.00 C ATOM 2245 CZ PHE B 59 325.805 11.984 -4.048 1.00 0.00 C ATOM 0 H PHE B 59 328.974 11.635 -9.067 1.00 0.00 H new ATOM 0 HA PHE B 59 329.596 10.261 -6.554 1.00 0.00 H new ATOM 0 HB2 PHE B 59 327.120 10.336 -8.287 1.00 0.00 H new ATOM 0 HB3 PHE B 59 327.415 8.933 -7.278 1.00 0.00 H new ATOM 0 HD1 PHE B 59 328.199 12.461 -6.367 1.00 0.00 H new ATOM 0 HD2 PHE B 59 325.631 9.115 -5.793 1.00 0.00 H new ATOM 0 HE1 PHE B 59 327.148 13.589 -4.456 1.00 0.00 H new ATOM 0 HE2 PHE B 59 324.585 10.238 -3.881 1.00 0.00 H new ATOM 0 HZ PHE B 59 325.347 12.480 -3.205 1.00 0.00 H new ATOM 2255 N ARG B 60 329.804 7.934 -7.546 1.00 0.00 N ATOM 2256 CA ARG B 60 330.253 6.664 -8.068 1.00 0.00 C ATOM 2257 C ARG B 60 329.716 5.573 -7.176 1.00 0.00 C ATOM 2258 O ARG B 60 329.861 5.642 -5.961 1.00 0.00 O ATOM 2259 CB ARG B 60 331.782 6.567 -8.125 1.00 0.00 C ATOM 2260 CG ARG B 60 332.289 5.834 -9.353 1.00 0.00 C ATOM 2261 CD ARG B 60 333.409 4.869 -9.010 1.00 0.00 C ATOM 2262 NE ARG B 60 333.826 4.081 -10.167 1.00 0.00 N ATOM 2263 CZ ARG B 60 334.502 4.580 -11.200 1.00 0.00 C ATOM 2264 NH1 ARG B 60 334.844 5.863 -11.221 1.00 0.00 N ATOM 2265 NH2 ARG B 60 334.839 3.795 -12.214 1.00 0.00 N ATOM 0 H ARG B 60 329.607 7.919 -6.545 1.00 0.00 H new ATOM 0 HA ARG B 60 329.885 6.561 -9.089 1.00 0.00 H new ATOM 0 HB2 ARG B 60 332.204 7.572 -8.109 1.00 0.00 H new ATOM 0 HB3 ARG B 60 332.141 6.057 -7.231 1.00 0.00 H new ATOM 0 HG2 ARG B 60 331.467 5.288 -9.815 1.00 0.00 H new ATOM 0 HG3 ARG B 60 332.644 6.557 -10.087 1.00 0.00 H new ATOM 0 HD2 ARG B 60 334.263 5.427 -8.624 1.00 0.00 H new ATOM 0 HD3 ARG B 60 333.080 4.200 -8.215 1.00 0.00 H new ATOM 0 HE ARG B 60 333.585 3.090 -10.185 1.00 0.00 H new ATOM 0 HH11 ARG B 60 334.589 6.472 -10.443 1.00 0.00 H new ATOM 0 HH12 ARG B 60 335.362 6.240 -12.015 1.00 0.00 H new ATOM 0 HH21 ARG B 60 334.580 2.808 -12.203 1.00 0.00 H new ATOM 0 HH22 ARG B 60 335.357 4.178 -13.005 1.00 0.00 H new ATOM 2279 N PHE B 61 329.144 4.547 -7.762 1.00 0.00 N ATOM 2280 CA PHE B 61 328.651 3.435 -6.985 1.00 0.00 C ATOM 2281 C PHE B 61 329.759 2.400 -6.973 1.00 0.00 C ATOM 2282 O PHE B 61 330.604 2.411 -7.861 1.00 0.00 O ATOM 2283 CB PHE B 61 327.345 2.879 -7.574 1.00 0.00 C ATOM 2284 CG PHE B 61 327.075 1.450 -7.205 1.00 0.00 C ATOM 2285 CD1 PHE B 61 326.864 1.091 -5.884 1.00 0.00 C ATOM 2286 CD2 PHE B 61 327.043 0.469 -8.179 1.00 0.00 C ATOM 2287 CE1 PHE B 61 326.625 -0.229 -5.546 1.00 0.00 C ATOM 2288 CE2 PHE B 61 326.803 -0.850 -7.847 1.00 0.00 C ATOM 2289 CZ PHE B 61 326.595 -1.200 -6.528 1.00 0.00 C ATOM 0 H PHE B 61 329.009 4.460 -8.769 1.00 0.00 H new ATOM 0 HA PHE B 61 328.403 3.740 -5.968 1.00 0.00 H new ATOM 0 HB2 PHE B 61 326.513 3.496 -7.235 1.00 0.00 H new ATOM 0 HB3 PHE B 61 327.382 2.963 -8.660 1.00 0.00 H new ATOM 0 HD1 PHE B 61 326.886 1.847 -5.113 1.00 0.00 H new ATOM 0 HD2 PHE B 61 327.208 0.738 -9.212 1.00 0.00 H new ATOM 0 HE1 PHE B 61 326.462 -0.501 -4.514 1.00 0.00 H new ATOM 0 HE2 PHE B 61 326.778 -1.606 -8.618 1.00 0.00 H new ATOM 0 HZ PHE B 61 326.409 -2.231 -6.264 1.00 0.00 H new ATOM 2299 N ASP B 62 329.803 1.558 -5.953 1.00 0.00 N ATOM 2300 CA ASP B 62 330.876 0.574 -5.834 1.00 0.00 C ATOM 2301 C ASP B 62 331.212 -0.088 -7.172 1.00 0.00 C ATOM 2302 O ASP B 62 330.805 -1.219 -7.439 1.00 0.00 O ATOM 2303 CB ASP B 62 330.485 -0.494 -4.816 1.00 0.00 C ATOM 2304 CG ASP B 62 330.985 -0.175 -3.421 1.00 0.00 C ATOM 2305 OD1 ASP B 62 332.141 -0.531 -3.108 1.00 0.00 O ATOM 2306 OD2 ASP B 62 330.222 0.432 -2.640 1.00 0.00 O ATOM 0 H ASP B 62 329.116 1.533 -5.199 1.00 0.00 H new ATOM 0 HA ASP B 62 331.768 1.104 -5.500 1.00 0.00 H new ATOM 0 HB2 ASP B 62 329.400 -0.593 -4.796 1.00 0.00 H new ATOM 0 HB3 ASP B 62 330.887 -1.457 -5.131 1.00 0.00 H new ATOM 2311 N GLY B 63 331.980 0.625 -8.001 1.00 0.00 N ATOM 2312 CA GLY B 63 332.389 0.102 -9.291 1.00 0.00 C ATOM 2313 C GLY B 63 331.743 0.800 -10.482 1.00 0.00 C ATOM 2314 O GLY B 63 332.172 0.601 -11.619 1.00 0.00 O ATOM 0 H GLY B 63 332.326 1.562 -7.795 1.00 0.00 H new ATOM 0 HA2 GLY B 63 333.472 0.187 -9.378 1.00 0.00 H new ATOM 0 HA3 GLY B 63 332.148 -0.960 -9.333 1.00 0.00 H new ATOM 2318 N GLN B 64 330.716 1.611 -10.239 1.00 0.00 N ATOM 2319 CA GLN B 64 330.036 2.317 -11.327 1.00 0.00 C ATOM 2320 C GLN B 64 330.004 3.830 -11.090 1.00 0.00 C ATOM 2321 O GLN B 64 329.759 4.279 -9.979 1.00 0.00 O ATOM 2322 CB GLN B 64 328.620 1.789 -11.495 1.00 0.00 C ATOM 2323 CG GLN B 64 327.885 2.399 -12.673 1.00 0.00 C ATOM 2324 CD GLN B 64 326.670 1.594 -13.086 1.00 0.00 C ATOM 2325 OE1 GLN B 64 326.168 0.770 -12.322 1.00 0.00 O ATOM 2326 NE2 GLN B 64 326.192 1.828 -14.303 1.00 0.00 N ATOM 0 H GLN B 64 330.338 1.796 -9.310 1.00 0.00 H new ATOM 0 HA GLN B 64 330.602 2.133 -12.240 1.00 0.00 H new ATOM 0 HB2 GLN B 64 328.656 0.707 -11.620 1.00 0.00 H new ATOM 0 HB3 GLN B 64 328.056 1.986 -10.583 1.00 0.00 H new ATOM 0 HG2 GLN B 64 327.574 3.412 -12.417 1.00 0.00 H new ATOM 0 HG3 GLN B 64 328.567 2.479 -13.519 1.00 0.00 H new ATOM 0 HE21 GLN B 64 326.640 2.521 -14.903 1.00 0.00 H new ATOM 0 HE22 GLN B 64 325.376 1.315 -14.638 1.00 0.00 H new ATOM 2335 N PRO B 65 330.252 4.637 -12.141 1.00 0.00 N ATOM 2336 CA PRO B 65 330.260 6.111 -12.063 1.00 0.00 C ATOM 2337 C PRO B 65 328.859 6.698 -11.938 1.00 0.00 C ATOM 2338 O PRO B 65 328.666 7.805 -11.437 1.00 0.00 O ATOM 2339 CB PRO B 65 330.866 6.513 -13.416 1.00 0.00 C ATOM 2340 CG PRO B 65 331.478 5.272 -13.951 1.00 0.00 C ATOM 2341 CD PRO B 65 330.550 4.199 -13.506 1.00 0.00 C ATOM 0 HA PRO B 65 330.804 6.472 -11.190 1.00 0.00 H new ATOM 0 HB2 PRO B 65 330.102 6.898 -14.091 1.00 0.00 H new ATOM 0 HB3 PRO B 65 331.611 7.300 -13.296 1.00 0.00 H new ATOM 0 HG2 PRO B 65 331.562 5.303 -15.037 1.00 0.00 H new ATOM 0 HG3 PRO B 65 332.483 5.120 -13.558 1.00 0.00 H new ATOM 0 HD2 PRO B 65 329.655 4.144 -14.126 1.00 0.00 H new ATOM 0 HD3 PRO B 65 331.016 3.214 -13.531 1.00 0.00 H new ATOM 2349 N ILE B 66 327.900 5.914 -12.395 1.00 0.00 N ATOM 2350 CA ILE B 66 326.494 6.249 -12.373 1.00 0.00 C ATOM 2351 C ILE B 66 326.236 7.668 -12.892 1.00 0.00 C ATOM 2352 O ILE B 66 327.170 8.434 -13.122 1.00 0.00 O ATOM 2353 CB ILE B 66 325.929 6.022 -10.967 1.00 0.00 C ATOM 2354 CG1 ILE B 66 326.504 7.023 -9.991 1.00 0.00 C ATOM 2355 CG2 ILE B 66 326.269 4.613 -10.510 1.00 0.00 C ATOM 2356 CD1 ILE B 66 325.801 7.023 -8.656 1.00 0.00 C ATOM 0 H ILE B 66 328.087 4.999 -12.804 1.00 0.00 H new ATOM 0 HA ILE B 66 325.965 5.586 -13.058 1.00 0.00 H new ATOM 0 HB ILE B 66 324.847 6.152 -10.999 1.00 0.00 H new ATOM 0 HG12 ILE B 66 327.561 6.805 -9.838 1.00 0.00 H new ATOM 0 HG13 ILE B 66 326.444 8.021 -10.426 1.00 0.00 H new ATOM 0 HG21 ILE B 66 325.868 4.448 -9.510 1.00 0.00 H new ATOM 0 HG22 ILE B 66 325.831 3.891 -11.200 1.00 0.00 H new ATOM 0 HG23 ILE B 66 327.352 4.488 -10.492 1.00 0.00 H new ATOM 0 HD11 ILE B 66 326.262 7.763 -8.002 1.00 0.00 H new ATOM 0 HD12 ILE B 66 324.749 7.270 -8.799 1.00 0.00 H new ATOM 0 HD13 ILE B 66 325.883 6.036 -8.201 1.00 0.00 H new ATOM 2368 N ASN B 67 324.968 8.004 -13.100 1.00 0.00 N ATOM 2369 CA ASN B 67 324.604 9.323 -13.620 1.00 0.00 C ATOM 2370 C ASN B 67 323.225 9.738 -13.141 1.00 0.00 C ATOM 2371 O ASN B 67 322.361 10.123 -13.928 1.00 0.00 O ATOM 2372 CB ASN B 67 324.624 9.312 -15.141 1.00 0.00 C ATOM 2373 CG ASN B 67 325.942 8.862 -15.709 1.00 0.00 C ATOM 2374 OD1 ASN B 67 326.995 9.574 -15.370 1.00 0.00 O flip ATOM 2375 ND2 ASN B 67 326.012 7.880 -16.448 1.00 0.00 N flip ATOM 0 H ASN B 67 324.176 7.387 -12.919 1.00 0.00 H new ATOM 0 HA ASN B 67 325.335 10.041 -13.248 1.00 0.00 H new ATOM 0 HB2 ASN B 67 323.835 8.654 -15.504 1.00 0.00 H new ATOM 0 HB3 ASN B 67 324.399 10.313 -15.509 1.00 0.00 H new ATOM 0 HD21 ASN B 67 325.168 7.358 -16.684 1.00 0.00 H new ATOM 0 HD22 ASN B 67 326.914 7.588 -16.825 1.00 0.00 H new ATOM 2382 N GLU B 68 323.059 9.688 -11.837 1.00 0.00 N ATOM 2383 CA GLU B 68 321.816 10.078 -11.166 1.00 0.00 C ATOM 2384 C GLU B 68 320.547 9.602 -11.895 1.00 0.00 C ATOM 2385 O GLU B 68 319.446 10.025 -11.547 1.00 0.00 O ATOM 2386 CB GLU B 68 321.754 11.599 -10.991 1.00 0.00 C ATOM 2387 CG GLU B 68 323.022 12.312 -11.405 1.00 0.00 C ATOM 2388 CD GLU B 68 322.824 13.802 -11.602 1.00 0.00 C ATOM 2389 OE1 GLU B 68 322.377 14.202 -12.698 1.00 0.00 O ATOM 2390 OE2 GLU B 68 323.118 14.570 -10.662 1.00 0.00 O ATOM 0 H GLU B 68 323.787 9.373 -11.196 1.00 0.00 H new ATOM 0 HA GLU B 68 321.836 9.583 -10.195 1.00 0.00 H new ATOM 0 HB2 GLU B 68 320.921 11.989 -11.576 1.00 0.00 H new ATOM 0 HB3 GLU B 68 321.544 11.827 -9.946 1.00 0.00 H new ATOM 0 HG2 GLU B 68 323.788 12.150 -10.647 1.00 0.00 H new ATOM 0 HG3 GLU B 68 323.393 11.874 -12.332 1.00 0.00 H new ATOM 2397 N THR B 69 320.682 8.741 -12.902 1.00 0.00 N ATOM 2398 CA THR B 69 319.524 8.257 -13.650 1.00 0.00 C ATOM 2399 C THR B 69 319.541 6.733 -13.768 1.00 0.00 C ATOM 2400 O THR B 69 318.547 6.120 -14.159 1.00 0.00 O ATOM 2401 CB THR B 69 319.498 8.893 -15.037 1.00 0.00 C ATOM 2402 OG1 THR B 69 320.642 8.519 -15.785 1.00 0.00 O ATOM 2403 CG2 THR B 69 319.453 10.404 -14.988 1.00 0.00 C ATOM 0 H THR B 69 321.577 8.366 -13.217 1.00 0.00 H new ATOM 0 HA THR B 69 318.623 8.542 -13.107 1.00 0.00 H new ATOM 0 HB THR B 69 318.587 8.528 -15.511 1.00 0.00 H new ATOM 0 HG1 THR B 69 321.442 8.914 -15.379 1.00 0.00 H new ATOM 0 HG21 THR B 69 319.436 10.801 -16.003 1.00 0.00 H new ATOM 0 HG22 THR B 69 318.556 10.724 -14.458 1.00 0.00 H new ATOM 0 HG23 THR B 69 320.335 10.778 -14.467 1.00 0.00 H new ATOM 2411 N ASP B 70 320.664 6.129 -13.391 1.00 0.00 N ATOM 2412 CA ASP B 70 320.808 4.682 -13.411 1.00 0.00 C ATOM 2413 C ASP B 70 319.728 4.067 -12.548 1.00 0.00 C ATOM 2414 O ASP B 70 318.824 3.393 -13.033 1.00 0.00 O ATOM 2415 CB ASP B 70 322.190 4.311 -12.883 1.00 0.00 C ATOM 2416 CG ASP B 70 323.194 4.131 -14.004 1.00 0.00 C ATOM 2417 OD1 ASP B 70 323.019 3.197 -14.814 1.00 0.00 O ATOM 2418 OD2 ASP B 70 324.154 4.926 -14.073 1.00 0.00 O ATOM 0 H ASP B 70 321.493 6.627 -13.066 1.00 0.00 H new ATOM 0 HA ASP B 70 320.706 4.304 -14.428 1.00 0.00 H new ATOM 0 HB2 ASP B 70 322.540 5.088 -12.204 1.00 0.00 H new ATOM 0 HB3 ASP B 70 322.122 3.389 -12.305 1.00 0.00 H new ATOM 2423 N THR B 71 319.876 4.318 -11.262 1.00 0.00 N ATOM 2424 CA THR B 71 319.006 3.849 -10.211 1.00 0.00 C ATOM 2425 C THR B 71 319.675 2.663 -9.579 1.00 0.00 C ATOM 2426 O THR B 71 320.193 1.798 -10.285 1.00 0.00 O ATOM 2427 CB THR B 71 317.597 3.485 -10.686 1.00 0.00 C ATOM 2428 OG1 THR B 71 317.576 2.190 -11.266 1.00 0.00 O ATOM 2429 CG2 THR B 71 317.008 4.455 -11.693 1.00 0.00 C ATOM 0 H THR B 71 320.647 4.884 -10.908 1.00 0.00 H new ATOM 0 HA THR B 71 318.858 4.660 -9.498 1.00 0.00 H new ATOM 0 HB THR B 71 316.985 3.527 -9.785 1.00 0.00 H new ATOM 0 HG1 THR B 71 317.771 2.257 -12.224 1.00 0.00 H new ATOM 0 HG21 THR B 71 316.009 4.123 -11.977 1.00 0.00 H new ATOM 0 HG22 THR B 71 316.948 5.449 -11.249 1.00 0.00 H new ATOM 0 HG23 THR B 71 317.643 4.491 -12.578 1.00 0.00 H new ATOM 2437 N PRO B 72 319.694 2.588 -8.248 1.00 0.00 N ATOM 2438 CA PRO B 72 320.329 1.473 -7.579 1.00 0.00 C ATOM 2439 C PRO B 72 319.920 0.178 -8.265 1.00 0.00 C ATOM 2440 O PRO B 72 320.693 -0.774 -8.357 1.00 0.00 O ATOM 2441 CB PRO B 72 319.835 1.566 -6.138 1.00 0.00 C ATOM 2442 CG PRO B 72 319.337 2.970 -5.962 1.00 0.00 C ATOM 2443 CD PRO B 72 319.101 3.561 -7.321 1.00 0.00 C ATOM 0 HA PRO B 72 321.418 1.494 -7.612 1.00 0.00 H new ATOM 0 HB2 PRO B 72 319.040 0.844 -5.950 1.00 0.00 H new ATOM 0 HB3 PRO B 72 320.638 1.346 -5.435 1.00 0.00 H new ATOM 0 HG2 PRO B 72 318.415 2.976 -5.380 1.00 0.00 H new ATOM 0 HG3 PRO B 72 320.065 3.565 -5.411 1.00 0.00 H new ATOM 0 HD2 PRO B 72 318.037 3.699 -7.516 1.00 0.00 H new ATOM 0 HD3 PRO B 72 319.572 4.539 -7.416 1.00 0.00 H new ATOM 2451 N ALA B 73 318.696 0.187 -8.783 1.00 0.00 N ATOM 2452 CA ALA B 73 318.159 -0.944 -9.510 1.00 0.00 C ATOM 2453 C ALA B 73 318.959 -1.217 -10.769 1.00 0.00 C ATOM 2454 O ALA B 73 319.461 -2.326 -10.951 1.00 0.00 O ATOM 2455 CB ALA B 73 316.709 -0.703 -9.882 1.00 0.00 C ATOM 0 H ALA B 73 318.056 0.977 -8.708 1.00 0.00 H new ATOM 0 HA ALA B 73 318.225 -1.813 -8.855 1.00 0.00 H new ATOM 0 HB1 ALA B 73 316.325 -1.565 -10.428 1.00 0.00 H new ATOM 0 HB2 ALA B 73 316.121 -0.555 -8.976 1.00 0.00 H new ATOM 0 HB3 ALA B 73 316.637 0.185 -10.510 1.00 0.00 H new ATOM 2461 N GLN B 74 319.052 -0.234 -11.675 1.00 0.00 N ATOM 2462 CA GLN B 74 319.759 -0.446 -12.926 1.00 0.00 C ATOM 2463 C GLN B 74 321.168 -0.953 -12.698 1.00 0.00 C ATOM 2464 O GLN B 74 321.751 -1.627 -13.547 1.00 0.00 O ATOM 2465 CB GLN B 74 319.779 0.855 -13.699 1.00 0.00 C ATOM 2466 CG GLN B 74 318.913 0.843 -14.944 1.00 0.00 C ATOM 2467 CD GLN B 74 319.228 -0.319 -15.866 1.00 0.00 C ATOM 2468 OE1 GLN B 74 320.377 -0.522 -16.258 1.00 0.00 O ATOM 2469 NE2 GLN B 74 318.204 -1.089 -16.218 1.00 0.00 N ATOM 0 H GLN B 74 318.651 0.697 -11.560 1.00 0.00 H new ATOM 0 HA GLN B 74 319.237 -1.213 -13.499 1.00 0.00 H new ATOM 0 HB2 GLN B 74 319.446 1.660 -13.044 1.00 0.00 H new ATOM 0 HB3 GLN B 74 320.806 1.081 -13.985 1.00 0.00 H new ATOM 0 HG2 GLN B 74 317.864 0.795 -14.651 1.00 0.00 H new ATOM 0 HG3 GLN B 74 319.050 1.779 -15.486 1.00 0.00 H new ATOM 0 HE21 GLN B 74 317.268 -0.884 -15.869 1.00 0.00 H new ATOM 0 HE22 GLN B 74 318.354 -1.886 -16.837 1.00 0.00 H new ATOM 2478 N LEU B 75 321.718 -0.591 -11.557 1.00 0.00 N ATOM 2479 CA LEU B 75 323.069 -0.958 -11.200 1.00 0.00 C ATOM 2480 C LEU B 75 323.079 -2.181 -10.292 1.00 0.00 C ATOM 2481 O LEU B 75 324.118 -2.806 -10.077 1.00 0.00 O ATOM 2482 CB LEU B 75 323.712 0.263 -10.552 1.00 0.00 C ATOM 2483 CG LEU B 75 323.337 1.587 -11.243 1.00 0.00 C ATOM 2484 CD1 LEU B 75 324.120 2.737 -10.651 1.00 0.00 C ATOM 2485 CD2 LEU B 75 323.569 1.485 -12.745 1.00 0.00 C ATOM 0 H LEU B 75 321.238 -0.033 -10.851 1.00 0.00 H new ATOM 0 HA LEU B 75 323.645 -1.244 -12.080 1.00 0.00 H new ATOM 0 HB2 LEU B 75 323.413 0.310 -9.505 1.00 0.00 H new ATOM 0 HB3 LEU B 75 324.796 0.146 -10.569 1.00 0.00 H new ATOM 0 HG LEU B 75 322.278 1.780 -11.074 1.00 0.00 H new ATOM 0 HD11 LEU B 75 323.841 3.664 -11.153 1.00 0.00 H new ATOM 0 HD12 LEU B 75 323.898 2.819 -9.587 1.00 0.00 H new ATOM 0 HD13 LEU B 75 325.187 2.559 -10.786 1.00 0.00 H new ATOM 0 HD21 LEU B 75 323.299 2.428 -13.220 1.00 0.00 H new ATOM 0 HD22 LEU B 75 324.620 1.269 -12.937 1.00 0.00 H new ATOM 0 HD23 LEU B 75 322.954 0.684 -13.155 1.00 0.00 H new ATOM 2497 N GLU B 76 321.897 -2.533 -9.799 1.00 0.00 N ATOM 2498 CA GLU B 76 321.706 -3.699 -8.952 1.00 0.00 C ATOM 2499 C GLU B 76 322.277 -3.522 -7.549 1.00 0.00 C ATOM 2500 O GLU B 76 322.664 -4.496 -6.903 1.00 0.00 O ATOM 2501 CB GLU B 76 322.285 -4.943 -9.620 1.00 0.00 C ATOM 2502 CG GLU B 76 321.630 -5.253 -10.955 1.00 0.00 C ATOM 2503 CD GLU B 76 321.560 -6.740 -11.241 1.00 0.00 C ATOM 2504 OE1 GLU B 76 322.603 -7.325 -11.601 1.00 0.00 O ATOM 2505 OE2 GLU B 76 320.462 -7.319 -11.105 1.00 0.00 O ATOM 0 H GLU B 76 321.039 -2.011 -9.979 1.00 0.00 H new ATOM 0 HA GLU B 76 320.630 -3.824 -8.830 1.00 0.00 H new ATOM 0 HB2 GLU B 76 323.356 -4.805 -9.769 1.00 0.00 H new ATOM 0 HB3 GLU B 76 322.164 -5.797 -8.954 1.00 0.00 H new ATOM 0 HG2 GLU B 76 320.622 -4.837 -10.966 1.00 0.00 H new ATOM 0 HG3 GLU B 76 322.187 -4.760 -11.752 1.00 0.00 H new ATOM 2512 N MET B 77 322.316 -2.280 -7.084 1.00 0.00 N ATOM 2513 CA MET B 77 322.819 -1.963 -5.746 1.00 0.00 C ATOM 2514 C MET B 77 322.154 -2.852 -4.702 1.00 0.00 C ATOM 2515 O MET B 77 321.487 -3.826 -5.051 1.00 0.00 O ATOM 2516 CB MET B 77 322.572 -0.488 -5.462 1.00 0.00 C ATOM 2517 CG MET B 77 323.464 0.386 -6.315 1.00 0.00 C ATOM 2518 SD MET B 77 323.957 1.902 -5.505 1.00 0.00 S ATOM 2519 CE MET B 77 323.788 3.031 -6.875 1.00 0.00 C ATOM 0 H MET B 77 322.004 -1.467 -7.615 1.00 0.00 H new ATOM 0 HA MET B 77 323.891 -2.155 -5.698 1.00 0.00 H new ATOM 0 HB2 MET B 77 321.527 -0.247 -5.657 1.00 0.00 H new ATOM 0 HB3 MET B 77 322.756 -0.281 -4.408 1.00 0.00 H new ATOM 0 HG2 MET B 77 324.356 -0.177 -6.590 1.00 0.00 H new ATOM 0 HG3 MET B 77 322.943 0.630 -7.241 1.00 0.00 H new ATOM 0 HE1 MET B 77 324.253 3.983 -6.621 1.00 0.00 H new ATOM 0 HE2 MET B 77 324.276 2.612 -7.755 1.00 0.00 H new ATOM 0 HE3 MET B 77 322.731 3.189 -7.088 1.00 0.00 H new ATOM 2529 N GLU B 78 322.320 -2.546 -3.422 1.00 0.00 N ATOM 2530 CA GLU B 78 321.719 -3.364 -2.386 1.00 0.00 C ATOM 2531 C GLU B 78 321.717 -2.625 -1.053 1.00 0.00 C ATOM 2532 O GLU B 78 322.065 -1.447 -0.978 1.00 0.00 O ATOM 2533 CB GLU B 78 322.479 -4.686 -2.249 1.00 0.00 C ATOM 2534 CG GLU B 78 321.855 -5.830 -3.032 1.00 0.00 C ATOM 2535 CD GLU B 78 321.542 -7.034 -2.163 1.00 0.00 C ATOM 2536 OE1 GLU B 78 322.145 -7.156 -1.077 1.00 0.00 O ATOM 2537 OE2 GLU B 78 320.694 -7.855 -2.571 1.00 0.00 O ATOM 0 H GLU B 78 322.858 -1.749 -3.083 1.00 0.00 H new ATOM 0 HA GLU B 78 320.688 -3.574 -2.669 1.00 0.00 H new ATOM 0 HB2 GLU B 78 323.505 -4.542 -2.587 1.00 0.00 H new ATOM 0 HB3 GLU B 78 322.526 -4.961 -1.195 1.00 0.00 H new ATOM 0 HG2 GLU B 78 320.938 -5.482 -3.507 1.00 0.00 H new ATOM 0 HG3 GLU B 78 322.533 -6.130 -3.831 1.00 0.00 H new ATOM 2544 N ASP B 79 321.303 -3.327 -0.012 1.00 0.00 N ATOM 2545 CA ASP B 79 321.227 -2.749 1.322 1.00 0.00 C ATOM 2546 C ASP B 79 322.611 -2.497 1.930 1.00 0.00 C ATOM 2547 O ASP B 79 323.334 -3.433 2.268 1.00 0.00 O ATOM 2548 CB ASP B 79 320.403 -3.652 2.236 1.00 0.00 C ATOM 2549 CG ASP B 79 319.290 -2.900 2.939 1.00 0.00 C ATOM 2550 OD1 ASP B 79 319.581 -2.196 3.929 1.00 0.00 O ATOM 2551 OD2 ASP B 79 318.126 -3.016 2.500 1.00 0.00 O ATOM 0 H ASP B 79 321.013 -4.303 -0.064 1.00 0.00 H new ATOM 0 HA ASP B 79 320.738 -1.779 1.229 1.00 0.00 H new ATOM 0 HB2 ASP B 79 319.975 -4.465 1.649 1.00 0.00 H new ATOM 0 HB3 ASP B 79 321.058 -4.106 2.980 1.00 0.00 H new ATOM 2556 N GLU B 80 322.945 -1.210 2.072 1.00 0.00 N ATOM 2557 CA GLU B 80 324.214 -0.747 2.654 1.00 0.00 C ATOM 2558 C GLU B 80 325.289 -0.477 1.603 1.00 0.00 C ATOM 2559 O GLU B 80 326.413 -0.136 1.951 1.00 0.00 O ATOM 2560 CB GLU B 80 324.732 -1.707 3.720 1.00 0.00 C ATOM 2561 CG GLU B 80 323.676 -2.062 4.753 1.00 0.00 C ATOM 2562 CD GLU B 80 324.269 -2.634 6.025 1.00 0.00 C ATOM 2563 OE1 GLU B 80 324.753 -1.843 6.862 1.00 0.00 O ATOM 2564 OE2 GLU B 80 324.250 -3.872 6.185 1.00 0.00 O ATOM 0 H GLU B 80 322.333 -0.447 1.782 1.00 0.00 H new ATOM 0 HA GLU B 80 323.990 0.206 3.132 1.00 0.00 H new ATOM 0 HB2 GLU B 80 325.086 -2.619 3.240 1.00 0.00 H new ATOM 0 HB3 GLU B 80 325.589 -1.258 4.222 1.00 0.00 H new ATOM 0 HG2 GLU B 80 323.097 -1.171 4.996 1.00 0.00 H new ATOM 0 HG3 GLU B 80 322.982 -2.785 4.324 1.00 0.00 H new ATOM 2571 N ASP B 81 324.968 -0.606 0.319 1.00 0.00 N ATOM 2572 CA ASP B 81 325.955 -0.324 -0.706 1.00 0.00 C ATOM 2573 C ASP B 81 326.344 1.137 -0.614 1.00 0.00 C ATOM 2574 O ASP B 81 325.574 1.964 -0.136 1.00 0.00 O ATOM 2575 CB ASP B 81 325.423 -0.632 -2.106 1.00 0.00 C ATOM 2576 CG ASP B 81 324.985 -2.076 -2.250 1.00 0.00 C ATOM 2577 OD1 ASP B 81 324.625 -2.692 -1.225 1.00 0.00 O ATOM 2578 OD2 ASP B 81 325.001 -2.590 -3.388 1.00 0.00 O ATOM 0 H ASP B 81 324.054 -0.897 -0.026 1.00 0.00 H new ATOM 0 HA ASP B 81 326.822 -0.963 -0.539 1.00 0.00 H new ATOM 0 HB2 ASP B 81 324.581 0.024 -2.325 1.00 0.00 H new ATOM 0 HB3 ASP B 81 326.197 -0.414 -2.842 1.00 0.00 H new ATOM 2583 N THR B 82 327.542 1.446 -1.048 1.00 0.00 N ATOM 2584 CA THR B 82 328.032 2.820 -0.992 1.00 0.00 C ATOM 2585 C THR B 82 328.168 3.431 -2.387 1.00 0.00 C ATOM 2586 O THR B 82 328.348 2.719 -3.374 1.00 0.00 O ATOM 2587 CB THR B 82 329.385 2.885 -0.288 1.00 0.00 C ATOM 2588 OG1 THR B 82 329.413 2.026 0.841 1.00 0.00 O ATOM 2589 CG2 THR B 82 329.730 4.286 0.174 1.00 0.00 C ATOM 0 H THR B 82 328.200 0.775 -1.444 1.00 0.00 H new ATOM 0 HA THR B 82 327.296 3.394 -0.429 1.00 0.00 H new ATOM 0 HB THR B 82 330.122 2.566 -1.025 1.00 0.00 H new ATOM 0 HG1 THR B 82 330.290 2.084 1.274 1.00 0.00 H new ATOM 0 HG21 THR B 82 330.701 4.277 0.668 1.00 0.00 H new ATOM 0 HG22 THR B 82 329.767 4.954 -0.686 1.00 0.00 H new ATOM 0 HG23 THR B 82 328.970 4.636 0.873 1.00 0.00 H new ATOM 2597 N ILE B 83 328.123 4.762 -2.450 1.00 0.00 N ATOM 2598 CA ILE B 83 328.282 5.496 -3.696 1.00 0.00 C ATOM 2599 C ILE B 83 329.208 6.686 -3.436 1.00 0.00 C ATOM 2600 O ILE B 83 328.794 7.663 -2.826 1.00 0.00 O ATOM 2601 CB ILE B 83 326.927 6.035 -4.191 1.00 0.00 C ATOM 2602 CG1 ILE B 83 326.016 4.881 -4.590 1.00 0.00 C ATOM 2603 CG2 ILE B 83 327.110 7.009 -5.367 1.00 0.00 C ATOM 2604 CD1 ILE B 83 324.586 5.306 -4.765 1.00 0.00 C ATOM 0 H ILE B 83 327.975 5.358 -1.635 1.00 0.00 H new ATOM 0 HA ILE B 83 328.694 4.828 -4.452 1.00 0.00 H new ATOM 0 HB ILE B 83 326.462 6.585 -3.373 1.00 0.00 H new ATOM 0 HG12 ILE B 83 326.377 4.443 -5.521 1.00 0.00 H new ATOM 0 HG13 ILE B 83 326.069 4.102 -3.830 1.00 0.00 H new ATOM 0 HG21 ILE B 83 326.136 7.372 -5.694 1.00 0.00 H new ATOM 0 HG22 ILE B 83 327.723 7.852 -5.049 1.00 0.00 H new ATOM 0 HG23 ILE B 83 327.601 6.494 -6.193 1.00 0.00 H new ATOM 0 HD11 ILE B 83 323.982 4.444 -5.049 1.00 0.00 H new ATOM 0 HD12 ILE B 83 324.212 5.718 -3.828 1.00 0.00 H new ATOM 0 HD13 ILE B 83 324.525 6.065 -5.545 1.00 0.00 H new ATOM 2616 N ASP B 84 330.474 6.574 -3.803 1.00 0.00 N ATOM 2617 CA ASP B 84 331.445 7.621 -3.493 1.00 0.00 C ATOM 2618 C ASP B 84 331.219 8.956 -4.218 1.00 0.00 C ATOM 2619 O ASP B 84 330.951 9.011 -5.418 1.00 0.00 O ATOM 2620 CB ASP B 84 332.851 7.106 -3.777 1.00 0.00 C ATOM 2621 CG ASP B 84 333.668 6.919 -2.513 1.00 0.00 C ATOM 2622 OD1 ASP B 84 334.138 7.932 -1.954 1.00 0.00 O ATOM 2623 OD2 ASP B 84 333.840 5.758 -2.084 1.00 0.00 O ATOM 0 H ASP B 84 330.855 5.777 -4.312 1.00 0.00 H new ATOM 0 HA ASP B 84 331.310 7.846 -2.435 1.00 0.00 H new ATOM 0 HB2 ASP B 84 332.786 6.156 -4.308 1.00 0.00 H new ATOM 0 HB3 ASP B 84 333.364 7.805 -4.437 1.00 0.00 H new ATOM 2628 N VAL B 85 331.369 10.025 -3.425 1.00 0.00 N ATOM 2629 CA VAL B 85 331.235 11.417 -3.862 1.00 0.00 C ATOM 2630 C VAL B 85 332.589 12.111 -3.785 1.00 0.00 C ATOM 2631 O VAL B 85 333.274 12.021 -2.767 1.00 0.00 O ATOM 2632 CB VAL B 85 330.250 12.185 -2.952 1.00 0.00 C ATOM 2633 CG1 VAL B 85 330.194 13.675 -3.290 1.00 0.00 C ATOM 2634 CG2 VAL B 85 328.877 11.565 -3.025 1.00 0.00 C ATOM 0 H VAL B 85 331.593 9.941 -2.434 1.00 0.00 H new ATOM 0 HA VAL B 85 330.861 11.414 -4.886 1.00 0.00 H new ATOM 0 HB VAL B 85 330.619 12.106 -1.929 1.00 0.00 H new ATOM 0 HG11 VAL B 85 329.489 14.173 -2.624 1.00 0.00 H new ATOM 0 HG12 VAL B 85 331.184 14.114 -3.164 1.00 0.00 H new ATOM 0 HG13 VAL B 85 329.870 13.802 -4.323 1.00 0.00 H new ATOM 0 HG21 VAL B 85 328.194 12.116 -2.379 1.00 0.00 H new ATOM 0 HG22 VAL B 85 328.515 11.603 -4.052 1.00 0.00 H new ATOM 0 HG23 VAL B 85 328.929 10.527 -2.696 1.00 0.00 H new ATOM 2644 N PHE B 86 332.960 12.837 -4.829 1.00 0.00 N ATOM 2645 CA PHE B 86 334.216 13.574 -4.825 1.00 0.00 C ATOM 2646 C PHE B 86 334.025 14.877 -5.573 1.00 0.00 C ATOM 2647 O PHE B 86 333.915 14.893 -6.799 1.00 0.00 O ATOM 2648 CB PHE B 86 335.328 12.766 -5.488 1.00 0.00 C ATOM 2649 CG PHE B 86 335.440 11.353 -4.992 1.00 0.00 C ATOM 2650 CD1 PHE B 86 335.630 11.088 -3.645 1.00 0.00 C ATOM 2651 CD2 PHE B 86 335.358 10.288 -5.875 1.00 0.00 C ATOM 2652 CE1 PHE B 86 335.734 9.788 -3.189 1.00 0.00 C ATOM 2653 CE2 PHE B 86 335.463 8.986 -5.424 1.00 0.00 C ATOM 2654 CZ PHE B 86 335.651 8.736 -4.080 1.00 0.00 C ATOM 0 H PHE B 86 332.414 12.932 -5.685 1.00 0.00 H new ATOM 0 HA PHE B 86 334.504 13.768 -3.792 1.00 0.00 H new ATOM 0 HB2 PHE B 86 335.158 12.749 -6.564 1.00 0.00 H new ATOM 0 HB3 PHE B 86 336.278 13.274 -5.324 1.00 0.00 H new ATOM 0 HD1 PHE B 86 335.698 11.907 -2.944 1.00 0.00 H new ATOM 0 HD2 PHE B 86 335.210 10.478 -6.928 1.00 0.00 H new ATOM 0 HE1 PHE B 86 335.880 9.595 -2.137 1.00 0.00 H new ATOM 0 HE2 PHE B 86 335.398 8.165 -6.123 1.00 0.00 H new ATOM 0 HZ PHE B 86 335.733 7.719 -3.725 1.00 0.00 H new ATOM 2664 N GLN B 87 333.968 15.965 -4.831 1.00 0.00 N ATOM 2665 CA GLN B 87 333.766 17.268 -5.435 1.00 0.00 C ATOM 2666 C GLN B 87 334.485 18.379 -4.675 1.00 0.00 C ATOM 2667 O GLN B 87 334.105 18.720 -3.555 1.00 0.00 O ATOM 2668 CB GLN B 87 332.270 17.549 -5.522 1.00 0.00 C ATOM 2669 CG GLN B 87 331.897 18.546 -6.605 1.00 0.00 C ATOM 2670 CD GLN B 87 331.210 19.785 -6.051 1.00 0.00 C ATOM 2671 OE1 GLN B 87 330.052 19.605 -5.406 1.00 0.00 O flip ATOM 2672 NE2 GLN B 87 331.713 20.899 -6.200 1.00 0.00 N flip ATOM 0 H GLN B 87 334.058 15.974 -3.815 1.00 0.00 H new ATOM 0 HA GLN B 87 334.199 17.252 -6.435 1.00 0.00 H new ATOM 0 HB2 GLN B 87 331.744 16.612 -5.706 1.00 0.00 H new ATOM 0 HB3 GLN B 87 331.924 17.925 -4.559 1.00 0.00 H new ATOM 0 HG2 GLN B 87 332.796 18.844 -7.144 1.00 0.00 H new ATOM 0 HG3 GLN B 87 331.239 18.063 -7.327 1.00 0.00 H new ATOM 0 HE21 GLN B 87 332.598 20.997 -6.698 1.00 0.00 H new ATOM 0 HE22 GLN B 87 331.245 21.724 -5.825 1.00 0.00 H new ATOM 2681 N GLN B 88 335.507 18.959 -5.293 1.00 0.00 N ATOM 2682 CA GLN B 88 336.248 20.050 -4.671 1.00 0.00 C ATOM 2683 C GLN B 88 335.518 21.369 -4.903 1.00 0.00 C ATOM 2684 O GLN B 88 334.540 21.415 -5.649 1.00 0.00 O ATOM 2685 CB GLN B 88 337.666 20.127 -5.236 1.00 0.00 C ATOM 2686 CG GLN B 88 338.477 18.859 -5.026 1.00 0.00 C ATOM 2687 CD GLN B 88 339.459 18.978 -3.877 1.00 0.00 C ATOM 2688 OE1 GLN B 88 339.324 18.303 -2.857 1.00 0.00 O ATOM 2689 NE2 GLN B 88 340.456 19.841 -4.038 1.00 0.00 N ATOM 0 H GLN B 88 335.840 18.694 -6.220 1.00 0.00 H new ATOM 0 HA GLN B 88 336.315 19.861 -3.600 1.00 0.00 H new ATOM 0 HB2 GLN B 88 337.611 20.340 -6.304 1.00 0.00 H new ATOM 0 HB3 GLN B 88 338.188 20.963 -4.771 1.00 0.00 H new ATOM 0 HG2 GLN B 88 337.800 18.026 -4.835 1.00 0.00 H new ATOM 0 HG3 GLN B 88 339.021 18.624 -5.941 1.00 0.00 H new ATOM 0 HE21 GLN B 88 340.529 20.380 -4.901 1.00 0.00 H new ATOM 0 HE22 GLN B 88 341.148 19.964 -3.299 1.00 0.00 H new