USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 962 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 SER OG : rot 180:sc= 1.11 USER MOD Set 1.2: A 72 HIS : no HD1:sc= -2.19! C(o=0.036!,f=-1.5!) USER MOD Set 1.3: A 80 THR OG1 : rot -98:sc= 1.12 USER MOD Set 2.1: A 53 SER OG : rot -117:sc= 0.876 USER MOD Set 2.2: A 102 GLN :FLIP amide:sc= -0.501 F(o=-0.5!,f=0.37) USER MOD Set 3.1: A 40 LYS NZ :NH3+ 178:sc= 1.19 (180deg=0.844) USER MOD Set 3.2: A 82 TYR OH : rot 150:sc= 0.282 USER MOD Set 4.1: A 21 HIS : no HD1:sc= -1.9! C(o=-2.8!,f=-3.2!) USER MOD Set 4.2: A 28 GLN : amide:sc= -0.852 X(o=-2.8,f=-3.2) USER MOD Set 5.1: A 11 MET CE :methyl 151:sc= -1.86! (180deg=-3.18!) USER MOD Set 5.2: A 18 GLN : amide:sc= -1.09 K(o=-2.9,f=-4) USER MOD Single : A 1 MET CE :methyl 166:sc= -0.738 (180deg=-1.28) USER MOD Single : A 1 MET N :NH3+ 122:sc= 1.17 (180deg=0.864) USER MOD Single : A 2 THR OG1 : rot -71:sc= 1.24 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc=-2.3e-05 K(o=-2.3e-05,f=-0.96) USER MOD Single : A 9 TYR OH : rot -140:sc= 1.31 USER MOD Single : A 10 CYS SG : rot 58:sc= 0.0127 USER MOD Single : A 13 LYS NZ :NH3+ 147:sc= 0.383 (180deg=-0.424) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 165:sc= -0.496! (180deg=-1.26!) USER MOD Single : A 38 MET CE :methyl -154:sc= -1.18 (180deg=-2.53!) USER MOD Single : A 44 ASN : amide:sc= -0.352 K(o=-0.35,f=-1.3) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 105:sc= 0.186 USER MOD Single : A 62 GLN : amide:sc= -0.0471 X(o=-0.047,f=-0.52) USER MOD Single : A 63 GLN : amide:sc= -0.0564 K(o=-0.056,f=-1.1) USER MOD Single : A 64 HIS : no HD1:sc= -0.404 X(o=-0.4,f=-0.16) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 66:sc= 0.603 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 172:sc= 1.24 (180deg=1.2) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -85:sc= 0.108 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.404 X(o=-0.4,f=-0.16) USER MOD Single : A 93 TYR OH : rot 69:sc= 0.356 USER MOD Single : A 94 TYR OH : rot -179:sc= 1.28 USER MOD Single : A 99 SER OG : rot -81:sc= 1 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.0285 X(o=-0.028,f=-0.028) USER MOD Single : A 105 ASN :FLIP amide:sc= -0.51 F(o=-1.9!,f=-0.51) USER MOD Single : A 111 LYS NZ :NH3+ 155:sc= 2.39 (180deg=1.95) USER MOD Single : A 113 LYS NZ :NH3+ 142:sc= 1.26 (180deg=0.249) USER MOD Single : A 117 GLN : amide:sc= -0.516 K(o=-0.52,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.716 -11.389 10.361 1.00 0.00 N ATOM 2 CA MET A 1 -2.774 -10.431 9.980 1.00 0.00 C ATOM 3 C MET A 1 -3.198 -10.664 8.538 1.00 0.00 C ATOM 4 O MET A 1 -2.403 -10.494 7.613 1.00 0.00 O ATOM 5 CB MET A 1 -2.285 -8.991 10.159 1.00 0.00 C ATOM 6 CG MET A 1 -3.290 -7.946 9.699 1.00 0.00 C ATOM 7 SD MET A 1 -2.739 -6.259 10.014 1.00 0.00 S ATOM 8 CE MET A 1 -1.188 -6.240 9.119 1.00 0.00 C ATOM 0 H1 MET A 1 -0.870 -10.868 10.669 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.055 -11.989 11.140 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.477 -11.985 9.543 1.00 0.00 H new ATOM 0 HA MET A 1 -3.634 -10.589 10.631 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.054 -8.823 11.211 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.356 -8.860 9.603 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.473 -8.070 8.632 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.240 -8.114 10.207 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.846 -5.211 9.005 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.442 -6.811 9.672 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.330 -6.686 8.135 1.00 0.00 H new ATOM 20 N THR A 2 -4.447 -11.066 8.352 1.00 0.00 N ATOM 21 CA THR A 2 -4.986 -11.295 7.023 1.00 0.00 C ATOM 22 C THR A 2 -5.288 -9.972 6.331 1.00 0.00 C ATOM 23 O THR A 2 -5.329 -8.918 6.972 1.00 0.00 O ATOM 24 CB THR A 2 -6.268 -12.153 7.075 1.00 0.00 C ATOM 25 OG1 THR A 2 -7.222 -11.566 7.971 1.00 0.00 O ATOM 26 CG2 THR A 2 -5.954 -13.571 7.519 1.00 0.00 C ATOM 0 H THR A 2 -5.107 -11.240 9.110 1.00 0.00 H new ATOM 0 HA THR A 2 -4.230 -11.836 6.454 1.00 0.00 H new ATOM 0 HB THR A 2 -6.691 -12.189 6.071 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.914 -11.677 8.895 1.00 0.00 H new ATOM 0 HG21 THR A 2 -6.874 -14.155 7.548 1.00 0.00 H new ATOM 0 HG22 THR A 2 -5.256 -14.026 6.816 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.506 -13.550 8.513 1.00 0.00 H new ATOM 34 N ILE A 3 -5.509 -10.029 5.025 1.00 0.00 N ATOM 35 CA ILE A 3 -5.808 -8.833 4.244 1.00 0.00 C ATOM 36 C ILE A 3 -7.073 -8.150 4.762 1.00 0.00 C ATOM 37 O ILE A 3 -7.164 -6.926 4.778 1.00 0.00 O ATOM 38 CB ILE A 3 -5.977 -9.175 2.747 1.00 0.00 C ATOM 39 CG1 ILE A 3 -4.716 -9.864 2.217 1.00 0.00 C ATOM 40 CG2 ILE A 3 -6.288 -7.923 1.932 1.00 0.00 C ATOM 41 CD1 ILE A 3 -3.465 -9.016 2.324 1.00 0.00 C ATOM 0 H ILE A 3 -5.487 -10.892 4.481 1.00 0.00 H new ATOM 0 HA ILE A 3 -4.966 -8.150 4.353 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.819 -9.859 2.644 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.562 -10.793 2.767 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.872 -10.134 1.173 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.402 -8.192 0.882 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.213 -7.473 2.294 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.472 -7.208 2.037 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.614 -9.571 1.929 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.597 -8.098 1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.282 -8.767 3.369 1.00 0.00 H new ATOM 53 N SER A 4 -8.030 -8.952 5.215 1.00 0.00 N ATOM 54 CA SER A 4 -9.285 -8.436 5.755 1.00 0.00 C ATOM 55 C SER A 4 -9.016 -7.545 6.972 1.00 0.00 C ATOM 56 O SER A 4 -9.631 -6.488 7.138 1.00 0.00 O ATOM 57 CB SER A 4 -10.192 -9.610 6.139 1.00 0.00 C ATOM 58 OG SER A 4 -11.530 -9.195 6.354 1.00 0.00 O ATOM 0 H SER A 4 -7.961 -9.970 5.219 1.00 0.00 H new ATOM 0 HA SER A 4 -9.783 -7.832 4.997 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.167 -10.361 5.350 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.809 -10.084 7.043 1.00 0.00 H new ATOM 0 HG SER A 4 -12.078 -9.971 6.595 1.00 0.00 H new ATOM 64 N GLU A 5 -8.074 -7.970 7.808 1.00 0.00 N ATOM 65 CA GLU A 5 -7.680 -7.201 8.984 1.00 0.00 C ATOM 66 C GLU A 5 -6.932 -5.940 8.567 1.00 0.00 C ATOM 67 O GLU A 5 -7.110 -4.871 9.155 1.00 0.00 O ATOM 68 CB GLU A 5 -6.793 -8.050 9.891 1.00 0.00 C ATOM 69 CG GLU A 5 -7.469 -9.305 10.412 1.00 0.00 C ATOM 70 CD GLU A 5 -6.484 -10.265 11.039 1.00 0.00 C ATOM 71 OE1 GLU A 5 -6.040 -10.015 12.173 1.00 0.00 O ATOM 72 OE2 GLU A 5 -6.131 -11.269 10.382 1.00 0.00 O ATOM 0 H GLU A 5 -7.567 -8.847 7.692 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.580 -6.914 9.528 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.895 -8.334 9.342 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.471 -7.444 10.738 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.225 -9.030 11.148 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.988 -9.803 9.593 1.00 0.00 H new ATOM 79 N LEU A 6 -6.095 -6.079 7.543 1.00 0.00 N ATOM 80 CA LEU A 6 -5.323 -4.960 7.013 1.00 0.00 C ATOM 81 C LEU A 6 -6.263 -3.900 6.442 1.00 0.00 C ATOM 82 O LEU A 6 -6.102 -2.706 6.704 1.00 0.00 O ATOM 83 CB LEU A 6 -4.343 -5.471 5.943 1.00 0.00 C ATOM 84 CG LEU A 6 -3.239 -4.498 5.501 1.00 0.00 C ATOM 85 CD1 LEU A 6 -3.764 -3.484 4.494 1.00 0.00 C ATOM 86 CD2 LEU A 6 -2.643 -3.786 6.707 1.00 0.00 C ATOM 0 H LEU A 6 -5.934 -6.963 7.061 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.746 -4.500 7.815 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.868 -6.377 6.321 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.918 -5.756 5.062 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.457 -5.081 5.014 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.958 -2.811 4.202 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.138 -4.006 3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.572 -2.908 4.945 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.863 -3.101 6.376 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.424 -3.226 7.221 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.215 -4.521 7.389 1.00 0.00 H new ATOM 98 N LEU A 7 -7.252 -4.350 5.677 1.00 0.00 N ATOM 99 CA LEU A 7 -8.260 -3.457 5.113 1.00 0.00 C ATOM 100 C LEU A 7 -9.012 -2.729 6.223 1.00 0.00 C ATOM 101 O LEU A 7 -9.299 -1.535 6.115 1.00 0.00 O ATOM 102 CB LEU A 7 -9.240 -4.244 4.241 1.00 0.00 C ATOM 103 CG LEU A 7 -8.631 -4.883 2.990 1.00 0.00 C ATOM 104 CD1 LEU A 7 -9.694 -5.631 2.202 1.00 0.00 C ATOM 105 CD2 LEU A 7 -7.964 -3.827 2.120 1.00 0.00 C ATOM 0 H LEU A 7 -7.378 -5.332 5.432 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.755 -2.717 4.493 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.691 -5.029 4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.045 -3.576 3.933 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.870 -5.597 3.305 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.243 -6.079 1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.125 -6.415 2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.478 -4.937 1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.537 -4.301 1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.704 -3.087 1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.173 -3.336 2.686 1.00 0.00 H new ATOM 117 N GLN A 8 -9.312 -3.456 7.293 1.00 0.00 N ATOM 118 CA GLN A 8 -9.983 -2.884 8.453 1.00 0.00 C ATOM 119 C GLN A 8 -9.112 -1.809 9.102 1.00 0.00 C ATOM 120 O GLN A 8 -9.600 -0.746 9.483 1.00 0.00 O ATOM 121 CB GLN A 8 -10.306 -3.978 9.473 1.00 0.00 C ATOM 122 CG GLN A 8 -11.066 -3.474 10.689 1.00 0.00 C ATOM 123 CD GLN A 8 -11.206 -4.528 11.766 1.00 0.00 C ATOM 124 OE1 GLN A 8 -10.344 -5.392 11.920 1.00 0.00 O ATOM 125 NE2 GLN A 8 -12.284 -4.456 12.530 1.00 0.00 N ATOM 0 H GLN A 8 -9.099 -4.450 7.381 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.913 -2.425 8.118 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -10.894 -4.756 8.985 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.376 -4.441 9.803 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.551 -2.606 11.100 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.057 -3.141 10.381 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -12.975 -3.723 12.369 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.424 -5.133 13.280 1.00 0.00 H new ATOM 134 N TYR A 9 -7.817 -2.089 9.207 1.00 0.00 N ATOM 135 CA TYR A 9 -6.862 -1.147 9.786 1.00 0.00 C ATOM 136 C TYR A 9 -6.810 0.140 8.962 1.00 0.00 C ATOM 137 O TYR A 9 -6.676 1.236 9.505 1.00 0.00 O ATOM 138 CB TYR A 9 -5.470 -1.789 9.861 1.00 0.00 C ATOM 139 CG TYR A 9 -4.407 -0.907 10.481 1.00 0.00 C ATOM 140 CD1 TYR A 9 -4.434 -0.601 11.837 1.00 0.00 C ATOM 141 CD2 TYR A 9 -3.373 -0.386 9.711 1.00 0.00 C ATOM 142 CE1 TYR A 9 -3.463 0.198 12.408 1.00 0.00 C ATOM 143 CE2 TYR A 9 -2.397 0.414 10.274 1.00 0.00 C ATOM 144 CZ TYR A 9 -2.448 0.705 11.622 1.00 0.00 C ATOM 145 OH TYR A 9 -1.476 1.498 12.189 1.00 0.00 O ATOM 0 H TYR A 9 -7.401 -2.967 8.896 1.00 0.00 H new ATOM 0 HA TYR A 9 -7.189 -0.895 10.795 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -5.540 -2.712 10.436 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -5.155 -2.064 8.854 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -5.228 -0.995 12.454 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.332 -0.610 8.655 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.498 0.425 13.463 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -1.599 0.809 9.663 1.00 0.00 H new ATOM 0 HH TYR A 9 -1.255 2.232 11.578 1.00 0.00 H new ATOM 155 N CYS A 10 -6.937 -0.002 7.651 1.00 0.00 N ATOM 156 CA CYS A 10 -6.916 1.144 6.752 1.00 0.00 C ATOM 157 C CYS A 10 -8.214 1.947 6.850 1.00 0.00 C ATOM 158 O CYS A 10 -8.271 3.102 6.435 1.00 0.00 O ATOM 159 CB CYS A 10 -6.688 0.681 5.315 1.00 0.00 C ATOM 160 SG CYS A 10 -5.189 -0.298 5.098 1.00 0.00 S ATOM 0 H CYS A 10 -7.056 -0.901 7.185 1.00 0.00 H new ATOM 0 HA CYS A 10 -6.094 1.794 7.051 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -7.546 0.092 4.992 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -6.638 1.554 4.665 1.00 0.00 H new ATOM 0 HG CYS A 10 -5.239 -1.344 5.868 1.00 0.00 H new ATOM 166 N MET A 11 -9.253 1.330 7.412 1.00 0.00 N ATOM 167 CA MET A 11 -10.537 2.002 7.591 1.00 0.00 C ATOM 168 C MET A 11 -10.500 2.907 8.813 1.00 0.00 C ATOM 169 O MET A 11 -11.407 3.710 9.037 1.00 0.00 O ATOM 170 CB MET A 11 -11.675 0.983 7.732 1.00 0.00 C ATOM 171 CG MET A 11 -11.988 0.214 6.457 1.00 0.00 C ATOM 172 SD MET A 11 -13.206 1.033 5.401 1.00 0.00 S ATOM 173 CE MET A 11 -12.329 2.501 4.866 1.00 0.00 C ATOM 0 H MET A 11 -9.230 0.368 7.750 1.00 0.00 H new ATOM 0 HA MET A 11 -10.723 2.609 6.705 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.416 0.272 8.517 1.00 0.00 H new ATOM 0 HB3 MET A 11 -12.575 1.504 8.059 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.067 0.072 5.892 1.00 0.00 H new ATOM 0 HG3 MET A 11 -12.356 -0.777 6.721 1.00 0.00 H new ATOM 0 HE1 MET A 11 -12.693 2.805 3.885 1.00 0.00 H new ATOM 0 HE2 MET A 11 -12.498 3.306 5.581 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.262 2.286 4.807 1.00 0.00 H new ATOM 183 N ALA A 12 -9.442 2.767 9.604 1.00 0.00 N ATOM 184 CA ALA A 12 -9.236 3.615 10.769 1.00 0.00 C ATOM 185 C ALA A 12 -8.498 4.887 10.373 1.00 0.00 C ATOM 186 O ALA A 12 -8.202 5.739 11.212 1.00 0.00 O ATOM 187 CB ALA A 12 -8.466 2.863 11.844 1.00 0.00 C ATOM 0 H ALA A 12 -8.711 2.070 9.457 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.209 3.892 11.174 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.320 3.511 12.708 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.029 1.979 12.144 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.496 2.559 11.451 1.00 0.00 H new ATOM 193 N LYS A 13 -8.202 4.999 9.082 1.00 0.00 N ATOM 194 CA LYS A 13 -7.545 6.175 8.533 1.00 0.00 C ATOM 195 C LYS A 13 -8.574 7.040 7.810 1.00 0.00 C ATOM 196 O LYS A 13 -8.918 6.769 6.656 1.00 0.00 O ATOM 197 CB LYS A 13 -6.435 5.763 7.557 1.00 0.00 C ATOM 198 CG LYS A 13 -5.386 4.832 8.152 1.00 0.00 C ATOM 199 CD LYS A 13 -4.506 5.539 9.171 1.00 0.00 C ATOM 200 CE LYS A 13 -3.463 4.591 9.743 1.00 0.00 C ATOM 201 NZ LYS A 13 -2.498 5.291 10.629 1.00 0.00 N ATOM 0 H LYS A 13 -8.411 4.279 8.391 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.097 6.743 9.348 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.889 5.275 6.695 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.939 6.662 7.190 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.881 3.985 8.627 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.763 4.430 7.353 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.011 6.389 8.701 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.123 5.935 9.977 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.961 3.800 10.304 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.923 4.111 8.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.197 4.649 11.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.668 5.584 10.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.952 6.130 11.043 1.00 0.00 H new ATOM 215 N PRO A 14 -9.105 8.072 8.485 1.00 0.00 N ATOM 216 CA PRO A 14 -10.126 8.950 7.912 1.00 0.00 C ATOM 217 C PRO A 14 -9.569 9.803 6.779 1.00 0.00 C ATOM 218 O PRO A 14 -8.902 10.814 7.013 1.00 0.00 O ATOM 219 CB PRO A 14 -10.564 9.832 9.092 1.00 0.00 C ATOM 220 CG PRO A 14 -10.000 9.176 10.307 1.00 0.00 C ATOM 221 CD PRO A 14 -8.755 8.477 9.850 1.00 0.00 C ATOM 0 HA PRO A 14 -10.949 8.386 7.473 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -10.187 10.849 8.984 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -11.650 9.899 9.150 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.775 9.911 11.080 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -10.711 8.470 10.736 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.888 9.138 9.868 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.516 7.620 10.479 1.00 0.00 H new ATOM 229 N GLY A 15 -9.835 9.372 5.556 1.00 0.00 N ATOM 230 CA GLY A 15 -9.311 10.048 4.389 1.00 0.00 C ATOM 231 C GLY A 15 -8.925 9.062 3.308 1.00 0.00 C ATOM 232 O GLY A 15 -8.815 9.422 2.136 1.00 0.00 O ATOM 0 H GLY A 15 -10.412 8.556 5.350 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.058 10.741 4.002 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.441 10.641 4.670 1.00 0.00 H new ATOM 236 N ALA A 16 -8.723 7.809 3.708 1.00 0.00 N ATOM 237 CA ALA A 16 -8.379 6.748 2.773 1.00 0.00 C ATOM 238 C ALA A 16 -9.633 6.031 2.289 1.00 0.00 C ATOM 239 O ALA A 16 -10.372 5.448 3.085 1.00 0.00 O ATOM 240 CB ALA A 16 -7.418 5.759 3.421 1.00 0.00 C ATOM 0 H ALA A 16 -8.793 7.505 4.679 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.886 7.197 1.911 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.171 4.972 2.709 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.507 6.278 3.718 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.888 5.318 4.300 1.00 0.00 H new ATOM 246 N GLU A 17 -9.875 6.075 0.988 1.00 0.00 N ATOM 247 CA GLU A 17 -11.043 5.428 0.413 1.00 0.00 C ATOM 248 C GLU A 17 -10.631 4.161 -0.328 1.00 0.00 C ATOM 249 O GLU A 17 -9.676 4.165 -1.109 1.00 0.00 O ATOM 250 CB GLU A 17 -11.785 6.390 -0.521 1.00 0.00 C ATOM 251 CG GLU A 17 -13.040 5.795 -1.139 1.00 0.00 C ATOM 252 CD GLU A 17 -13.970 6.844 -1.710 1.00 0.00 C ATOM 253 OE1 GLU A 17 -13.719 7.331 -2.834 1.00 0.00 O ATOM 254 OE2 GLU A 17 -14.964 7.185 -1.033 1.00 0.00 O ATOM 0 H GLU A 17 -9.279 6.551 0.311 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.722 5.150 1.219 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.055 7.287 0.036 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.110 6.701 -1.319 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.755 5.100 -1.929 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.572 5.217 -0.383 1.00 0.00 H new ATOM 261 N GLN A 18 -11.349 3.077 -0.064 1.00 0.00 N ATOM 262 CA GLN A 18 -11.032 1.784 -0.650 1.00 0.00 C ATOM 263 C GLN A 18 -12.088 1.386 -1.671 1.00 0.00 C ATOM 264 O GLN A 18 -13.275 1.299 -1.346 1.00 0.00 O ATOM 265 CB GLN A 18 -10.947 0.719 0.443 1.00 0.00 C ATOM 266 CG GLN A 18 -9.946 1.048 1.540 1.00 0.00 C ATOM 267 CD GLN A 18 -9.908 -0.005 2.632 1.00 0.00 C ATOM 268 OE1 GLN A 18 -10.160 -1.182 2.384 1.00 0.00 O ATOM 269 NE2 GLN A 18 -9.598 0.411 3.848 1.00 0.00 N ATOM 0 H GLN A 18 -12.159 3.070 0.556 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.068 1.862 -1.153 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -11.933 0.590 0.890 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.675 -0.234 -0.011 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.953 1.148 1.102 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.199 2.013 1.980 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.395 1.397 4.014 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.562 -0.254 4.621 1.00 0.00 H new ATOM 278 N SER A 19 -11.655 1.152 -2.897 1.00 0.00 N ATOM 279 CA SER A 19 -12.552 0.715 -3.956 1.00 0.00 C ATOM 280 C SER A 19 -12.003 -0.535 -4.633 1.00 0.00 C ATOM 281 O SER A 19 -10.788 -0.743 -4.673 1.00 0.00 O ATOM 282 CB SER A 19 -12.747 1.840 -4.978 1.00 0.00 C ATOM 283 OG SER A 19 -11.501 2.374 -5.404 1.00 0.00 O ATOM 0 H SER A 19 -10.683 1.258 -3.186 1.00 0.00 H new ATOM 0 HA SER A 19 -13.520 0.471 -3.519 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.296 1.460 -5.840 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.353 2.632 -4.538 1.00 0.00 H new ATOM 0 HG SER A 19 -11.657 3.088 -6.057 1.00 0.00 H new ATOM 289 N VAL A 20 -12.889 -1.379 -5.147 1.00 0.00 N ATOM 290 CA VAL A 20 -12.459 -2.583 -5.839 1.00 0.00 C ATOM 291 C VAL A 20 -12.263 -2.304 -7.324 1.00 0.00 C ATOM 292 O VAL A 20 -13.164 -1.813 -8.007 1.00 0.00 O ATOM 293 CB VAL A 20 -13.449 -3.762 -5.652 1.00 0.00 C ATOM 294 CG1 VAL A 20 -14.878 -3.330 -5.939 1.00 0.00 C ATOM 295 CG2 VAL A 20 -13.060 -4.940 -6.536 1.00 0.00 C ATOM 0 H VAL A 20 -13.900 -1.252 -5.098 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.509 -2.879 -5.393 1.00 0.00 H new ATOM 0 HB VAL A 20 -13.395 -4.079 -4.611 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -15.549 -4.177 -5.800 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -15.160 -2.528 -5.257 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -14.951 -2.974 -6.967 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.768 -5.755 -6.388 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -13.075 -4.631 -7.581 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -12.058 -5.278 -6.272 1.00 0.00 H new ATOM 305 N HIS A 21 -11.069 -2.589 -7.807 1.00 0.00 N ATOM 306 CA HIS A 21 -10.768 -2.457 -9.217 1.00 0.00 C ATOM 307 C HIS A 21 -11.149 -3.752 -9.915 1.00 0.00 C ATOM 308 O HIS A 21 -10.546 -4.797 -9.655 1.00 0.00 O ATOM 309 CB HIS A 21 -9.276 -2.158 -9.414 1.00 0.00 C ATOM 310 CG HIS A 21 -8.938 -1.575 -10.752 1.00 0.00 C ATOM 311 ND1 HIS A 21 -8.140 -2.210 -11.683 1.00 0.00 N ATOM 312 CD2 HIS A 21 -9.269 -0.381 -11.297 1.00 0.00 C ATOM 313 CE1 HIS A 21 -7.999 -1.428 -12.741 1.00 0.00 C ATOM 314 NE2 HIS A 21 -8.675 -0.316 -12.528 1.00 0.00 N ATOM 0 H HIS A 21 -10.288 -2.915 -7.238 1.00 0.00 H new ATOM 0 HA HIS A 21 -11.336 -1.630 -9.644 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -8.950 -1.467 -8.636 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -8.711 -3.080 -9.279 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -9.888 0.380 -10.844 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -7.428 -1.661 -13.628 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -8.744 0.468 -13.177 1.00 0.00 H new ATOM 323 N ASN A 22 -12.156 -3.692 -10.778 1.00 0.00 N ATOM 324 CA ASN A 22 -12.646 -4.880 -11.475 1.00 0.00 C ATOM 325 C ASN A 22 -11.705 -5.268 -12.608 1.00 0.00 C ATOM 326 O ASN A 22 -12.093 -5.375 -13.773 1.00 0.00 O ATOM 327 CB ASN A 22 -14.065 -4.661 -11.994 1.00 0.00 C ATOM 328 CG ASN A 22 -15.099 -4.712 -10.883 1.00 0.00 C ATOM 329 OD1 ASN A 22 -15.651 -5.771 -10.585 1.00 0.00 O ATOM 330 ND2 ASN A 22 -15.360 -3.575 -10.253 1.00 0.00 N ATOM 0 H ASN A 22 -12.652 -2.832 -11.014 1.00 0.00 H new ATOM 0 HA ASN A 22 -12.674 -5.704 -10.762 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -14.121 -3.695 -12.495 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -14.298 -5.421 -12.740 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -16.039 -3.558 -9.492 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -14.882 -2.717 -10.529 1.00 0.00 H new ATOM 337 N ASP A 23 -10.458 -5.449 -12.226 1.00 0.00 N ATOM 338 CA ASP A 23 -9.388 -5.885 -13.100 1.00 0.00 C ATOM 339 C ASP A 23 -8.336 -6.533 -12.219 1.00 0.00 C ATOM 340 O ASP A 23 -7.616 -5.837 -11.498 1.00 0.00 O ATOM 341 CB ASP A 23 -8.808 -4.701 -13.877 1.00 0.00 C ATOM 342 CG ASP A 23 -7.606 -5.072 -14.726 1.00 0.00 C ATOM 343 OD1 ASP A 23 -7.773 -5.827 -15.712 1.00 0.00 O ATOM 344 OD2 ASP A 23 -6.497 -4.583 -14.433 1.00 0.00 O ATOM 0 H ASP A 23 -10.151 -5.291 -11.266 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.754 -6.595 -13.841 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.583 -4.282 -14.519 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.520 -3.920 -13.174 1.00 0.00 H new ATOM 349 N TRP A 24 -8.338 -7.869 -12.219 1.00 0.00 N ATOM 350 CA TRP A 24 -7.553 -8.689 -11.285 1.00 0.00 C ATOM 351 C TRP A 24 -8.245 -8.756 -9.921 1.00 0.00 C ATOM 352 O TRP A 24 -7.816 -9.505 -9.042 1.00 0.00 O ATOM 353 CB TRP A 24 -6.111 -8.178 -11.118 1.00 0.00 C ATOM 354 CG TRP A 24 -5.207 -8.491 -12.273 1.00 0.00 C ATOM 355 CD1 TRP A 24 -5.367 -8.116 -13.578 1.00 0.00 C ATOM 356 CD2 TRP A 24 -3.979 -9.227 -12.215 1.00 0.00 C ATOM 357 NE1 TRP A 24 -4.324 -8.595 -14.335 1.00 0.00 N ATOM 358 CE2 TRP A 24 -3.457 -9.276 -13.521 1.00 0.00 C ATOM 359 CE3 TRP A 24 -3.273 -9.859 -11.183 1.00 0.00 C ATOM 360 CZ2 TRP A 24 -2.262 -9.924 -13.821 1.00 0.00 C ATOM 361 CZ3 TRP A 24 -2.087 -10.498 -11.480 1.00 0.00 C ATOM 362 CH2 TRP A 24 -1.592 -10.528 -12.790 1.00 0.00 C ATOM 0 H TRP A 24 -8.891 -8.421 -12.875 1.00 0.00 H new ATOM 0 HA TRP A 24 -7.495 -9.689 -11.715 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -6.135 -7.098 -10.973 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -5.687 -8.612 -10.212 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -6.191 -7.530 -13.958 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -4.213 -8.465 -15.341 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -3.651 -9.846 -10.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -1.877 -9.950 -14.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.532 -10.982 -10.690 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -0.662 -11.038 -12.992 1.00 0.00 H new ATOM 373 N LYS A 25 -9.341 -7.997 -9.782 1.00 0.00 N ATOM 374 CA LYS A 25 -10.066 -7.859 -8.519 1.00 0.00 C ATOM 375 C LYS A 25 -9.106 -7.475 -7.398 1.00 0.00 C ATOM 376 O LYS A 25 -8.672 -8.309 -6.605 1.00 0.00 O ATOM 377 CB LYS A 25 -10.843 -9.139 -8.178 1.00 0.00 C ATOM 378 CG LYS A 25 -11.714 -9.009 -6.938 1.00 0.00 C ATOM 379 CD LYS A 25 -12.671 -10.183 -6.794 1.00 0.00 C ATOM 380 CE LYS A 25 -13.716 -10.183 -7.902 1.00 0.00 C ATOM 381 NZ LYS A 25 -14.681 -11.307 -7.769 1.00 0.00 N ATOM 0 H LYS A 25 -9.748 -7.461 -10.548 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.798 -7.059 -8.630 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.471 -9.410 -9.027 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.136 -9.955 -8.031 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.080 -8.946 -6.054 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.283 -8.081 -6.989 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.110 -11.117 -6.820 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.166 -10.135 -5.824 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.259 -9.238 -7.886 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.217 -10.248 -8.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.372 -11.265 -8.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.169 -12.211 -7.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.178 -11.232 -6.859 1.00 0.00 H new ATOM 395 N ALA A 26 -8.758 -6.199 -7.369 1.00 0.00 N ATOM 396 CA ALA A 26 -7.808 -5.687 -6.404 1.00 0.00 C ATOM 397 C ALA A 26 -8.393 -4.497 -5.660 1.00 0.00 C ATOM 398 O ALA A 26 -9.178 -3.732 -6.222 1.00 0.00 O ATOM 399 CB ALA A 26 -6.521 -5.295 -7.107 1.00 0.00 C ATOM 0 H ALA A 26 -9.125 -5.496 -8.010 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.589 -6.468 -5.676 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.810 -4.910 -6.376 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.096 -6.168 -7.602 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.732 -4.524 -7.849 1.00 0.00 H new ATOM 405 N THR A 27 -8.006 -4.339 -4.410 1.00 0.00 N ATOM 406 CA THR A 27 -8.511 -3.248 -3.599 1.00 0.00 C ATOM 407 C THR A 27 -7.575 -2.047 -3.680 1.00 0.00 C ATOM 408 O THR A 27 -6.401 -2.130 -3.309 1.00 0.00 O ATOM 409 CB THR A 27 -8.677 -3.679 -2.128 1.00 0.00 C ATOM 410 OG1 THR A 27 -9.425 -4.900 -2.062 1.00 0.00 O ATOM 411 CG2 THR A 27 -9.389 -2.601 -1.321 1.00 0.00 C ATOM 0 H THR A 27 -7.344 -4.951 -3.934 1.00 0.00 H new ATOM 0 HA THR A 27 -9.489 -2.968 -3.990 1.00 0.00 H new ATOM 0 HB THR A 27 -7.685 -3.831 -1.702 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.527 -5.171 -1.126 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.493 -2.930 -0.287 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.807 -1.680 -1.352 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.376 -2.421 -1.746 1.00 0.00 H new ATOM 419 N GLN A 28 -8.098 -0.942 -4.183 1.00 0.00 N ATOM 420 CA GLN A 28 -7.333 0.286 -4.313 1.00 0.00 C ATOM 421 C GLN A 28 -7.566 1.194 -3.119 1.00 0.00 C ATOM 422 O GLN A 28 -8.678 1.677 -2.903 1.00 0.00 O ATOM 423 CB GLN A 28 -7.716 1.016 -5.597 1.00 0.00 C ATOM 424 CG GLN A 28 -6.913 0.580 -6.814 1.00 0.00 C ATOM 425 CD GLN A 28 -7.456 1.154 -8.109 1.00 0.00 C ATOM 426 OE1 GLN A 28 -7.302 0.564 -9.177 1.00 0.00 O ATOM 427 NE2 GLN A 28 -8.111 2.302 -8.020 1.00 0.00 N ATOM 0 H GLN A 28 -9.061 -0.871 -4.512 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.276 0.024 -4.352 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.775 0.853 -5.795 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -7.581 2.087 -5.449 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.876 0.891 -6.690 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.915 -0.508 -6.875 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.217 2.760 -7.115 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.509 2.728 -8.857 1.00 0.00 H new ATOM 436 N ILE A 29 -6.519 1.413 -2.346 1.00 0.00 N ATOM 437 CA ILE A 29 -6.593 2.306 -1.208 1.00 0.00 C ATOM 438 C ILE A 29 -5.937 3.633 -1.562 1.00 0.00 C ATOM 439 O ILE A 29 -4.714 3.713 -1.703 1.00 0.00 O ATOM 440 CB ILE A 29 -5.898 1.703 0.030 1.00 0.00 C ATOM 441 CG1 ILE A 29 -6.414 0.284 0.291 1.00 0.00 C ATOM 442 CG2 ILE A 29 -6.127 2.588 1.249 1.00 0.00 C ATOM 443 CD1 ILE A 29 -5.695 -0.436 1.411 1.00 0.00 C ATOM 0 H ILE A 29 -5.605 0.983 -2.487 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.644 2.459 -0.965 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.826 1.651 -0.162 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.477 0.333 0.528 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.318 -0.301 -0.624 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.631 2.150 2.115 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.718 3.581 1.060 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.196 2.668 1.445 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.118 -1.433 1.533 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.635 -0.519 1.169 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.813 0.124 2.338 1.00 0.00 H new ATOM 455 N LYS A 30 -6.752 4.662 -1.727 1.00 0.00 N ATOM 456 CA LYS A 30 -6.252 5.967 -2.125 1.00 0.00 C ATOM 457 C LYS A 30 -6.901 7.067 -1.305 1.00 0.00 C ATOM 458 O LYS A 30 -8.029 6.927 -0.842 1.00 0.00 O ATOM 459 CB LYS A 30 -6.503 6.210 -3.623 1.00 0.00 C ATOM 460 CG LYS A 30 -7.962 6.084 -4.047 1.00 0.00 C ATOM 461 CD LYS A 30 -8.514 7.394 -4.606 1.00 0.00 C ATOM 462 CE LYS A 30 -7.781 7.839 -5.866 1.00 0.00 C ATOM 463 NZ LYS A 30 -8.373 9.078 -6.452 1.00 0.00 N ATOM 0 H LYS A 30 -7.762 4.619 -1.592 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.178 5.985 -1.941 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.147 7.208 -3.881 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.908 5.501 -4.198 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.054 5.302 -4.801 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.562 5.774 -3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.574 7.274 -4.828 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.434 8.173 -3.847 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.731 8.015 -5.631 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.812 7.038 -6.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.710 9.487 -7.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.267 8.844 -6.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.554 9.768 -5.695 1.00 0.00 H new ATOM 477 N VAL A 31 -6.171 8.152 -1.112 1.00 0.00 N ATOM 478 CA VAL A 31 -6.717 9.333 -0.461 1.00 0.00 C ATOM 479 C VAL A 31 -7.545 10.114 -1.483 1.00 0.00 C ATOM 480 O VAL A 31 -8.331 9.524 -2.221 1.00 0.00 O ATOM 481 CB VAL A 31 -5.592 10.230 0.108 1.00 0.00 C ATOM 482 CG1 VAL A 31 -6.108 11.077 1.263 1.00 0.00 C ATOM 483 CG2 VAL A 31 -4.401 9.396 0.556 1.00 0.00 C ATOM 0 H VAL A 31 -5.196 8.241 -1.397 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.344 9.022 0.375 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.262 10.895 -0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.300 11.699 1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.921 11.713 0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.473 10.426 2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.626 10.052 0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.717 8.698 1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.006 8.839 -0.294 1.00 0.00 H new ATOM 493 N GLU A 32 -7.365 11.424 -1.531 1.00 0.00 N ATOM 494 CA GLU A 32 -8.005 12.253 -2.546 1.00 0.00 C ATOM 495 C GLU A 32 -7.725 11.701 -3.941 1.00 0.00 C ATOM 496 O GLU A 32 -8.623 11.204 -4.622 1.00 0.00 O ATOM 497 CB GLU A 32 -7.501 13.693 -2.433 1.00 0.00 C ATOM 498 CG GLU A 32 -8.096 14.452 -1.263 1.00 0.00 C ATOM 499 CD GLU A 32 -9.533 14.850 -1.517 1.00 0.00 C ATOM 500 OE1 GLU A 32 -9.749 15.862 -2.218 1.00 0.00 O ATOM 501 OE2 GLU A 32 -10.443 14.159 -1.030 1.00 0.00 O ATOM 0 H GLU A 32 -6.778 11.941 -0.876 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.083 12.240 -2.383 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.415 13.683 -2.335 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.733 14.224 -3.356 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.044 13.834 -0.366 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.501 15.345 -1.070 1.00 0.00 H new ATOM 508 N ASP A 33 -6.472 11.767 -4.358 1.00 0.00 N ATOM 509 CA ASP A 33 -6.080 11.207 -5.641 1.00 0.00 C ATOM 510 C ASP A 33 -4.651 10.683 -5.574 1.00 0.00 C ATOM 511 O ASP A 33 -3.885 10.770 -6.530 1.00 0.00 O ATOM 512 CB ASP A 33 -6.229 12.243 -6.754 1.00 0.00 C ATOM 513 CG ASP A 33 -6.135 11.607 -8.124 1.00 0.00 C ATOM 514 OD1 ASP A 33 -6.730 10.518 -8.314 1.00 0.00 O ATOM 515 OD2 ASP A 33 -5.468 12.181 -9.008 1.00 0.00 O ATOM 0 H ASP A 33 -5.713 12.200 -3.831 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.742 10.372 -5.871 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.188 12.751 -6.653 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.454 13.002 -6.651 1.00 0.00 H new ATOM 520 N VAL A 34 -4.297 10.131 -4.429 1.00 0.00 N ATOM 521 CA VAL A 34 -2.990 9.524 -4.255 1.00 0.00 C ATOM 522 C VAL A 34 -3.150 8.038 -3.979 1.00 0.00 C ATOM 523 O VAL A 34 -3.477 7.637 -2.861 1.00 0.00 O ATOM 524 CB VAL A 34 -2.190 10.176 -3.106 1.00 0.00 C ATOM 525 CG1 VAL A 34 -0.783 9.593 -3.039 1.00 0.00 C ATOM 526 CG2 VAL A 34 -2.139 11.689 -3.275 1.00 0.00 C ATOM 0 H VAL A 34 -4.896 10.090 -3.605 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.431 9.681 -5.178 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.698 9.957 -2.167 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.233 10.063 -2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.842 8.519 -2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.267 9.780 -3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.571 12.128 -2.455 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.657 11.933 -4.222 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.153 12.090 -3.270 1.00 0.00 H new ATOM 536 N LEU A 35 -2.972 7.229 -5.013 1.00 0.00 N ATOM 537 CA LEU A 35 -3.047 5.784 -4.867 1.00 0.00 C ATOM 538 C LEU A 35 -1.701 5.248 -4.402 1.00 0.00 C ATOM 539 O LEU A 35 -0.784 5.066 -5.200 1.00 0.00 O ATOM 540 CB LEU A 35 -3.461 5.123 -6.188 1.00 0.00 C ATOM 541 CG LEU A 35 -3.589 3.598 -6.142 1.00 0.00 C ATOM 542 CD1 LEU A 35 -4.645 3.179 -5.132 1.00 0.00 C ATOM 543 CD2 LEU A 35 -3.923 3.053 -7.521 1.00 0.00 C ATOM 0 H LEU A 35 -2.775 7.549 -5.961 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.805 5.545 -4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.417 5.542 -6.502 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.731 5.387 -6.953 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.632 3.181 -5.828 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.721 2.092 -5.115 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.365 3.539 -4.142 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.608 3.605 -5.414 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.011 1.968 -7.472 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.867 3.478 -7.861 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.131 3.322 -8.220 1.00 0.00 H new ATOM 555 N PHE A 36 -1.582 5.023 -3.105 1.00 0.00 N ATOM 556 CA PHE A 36 -0.314 4.612 -2.524 1.00 0.00 C ATOM 557 C PHE A 36 -0.231 3.098 -2.355 1.00 0.00 C ATOM 558 O PHE A 36 0.863 2.532 -2.340 1.00 0.00 O ATOM 559 CB PHE A 36 -0.086 5.319 -1.179 1.00 0.00 C ATOM 560 CG PHE A 36 -1.188 5.117 -0.169 1.00 0.00 C ATOM 561 CD1 PHE A 36 -2.300 5.944 -0.163 1.00 0.00 C ATOM 562 CD2 PHE A 36 -1.109 4.104 0.776 1.00 0.00 C ATOM 563 CE1 PHE A 36 -3.311 5.764 0.761 1.00 0.00 C ATOM 564 CE2 PHE A 36 -2.117 3.919 1.703 1.00 0.00 C ATOM 565 CZ PHE A 36 -3.220 4.752 1.694 1.00 0.00 C ATOM 0 H PHE A 36 -2.345 5.117 -2.435 1.00 0.00 H new ATOM 0 HA PHE A 36 0.475 4.906 -3.216 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.851 4.963 -0.751 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.032 6.387 -1.360 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.377 6.739 -0.890 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.248 3.452 0.787 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.172 6.415 0.753 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.043 3.126 2.432 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.010 4.611 2.417 1.00 0.00 H new ATOM 575 N ALA A 37 -1.381 2.444 -2.247 1.00 0.00 N ATOM 576 CA ALA A 37 -1.412 1.010 -1.997 1.00 0.00 C ATOM 577 C ALA A 37 -2.576 0.333 -2.714 1.00 0.00 C ATOM 578 O ALA A 37 -3.738 0.703 -2.537 1.00 0.00 O ATOM 579 CB ALA A 37 -1.491 0.736 -0.502 1.00 0.00 C ATOM 0 H ALA A 37 -2.299 2.881 -2.328 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.488 0.590 -2.394 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.514 -0.340 -0.330 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.619 1.164 -0.007 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.397 1.187 -0.097 1.00 0.00 H new ATOM 585 N MET A 38 -2.248 -0.651 -3.533 1.00 0.00 N ATOM 586 CA MET A 38 -3.242 -1.482 -4.193 1.00 0.00 C ATOM 587 C MET A 38 -2.953 -2.950 -3.899 1.00 0.00 C ATOM 588 O MET A 38 -1.919 -3.486 -4.304 1.00 0.00 O ATOM 589 CB MET A 38 -3.235 -1.201 -5.703 1.00 0.00 C ATOM 590 CG MET A 38 -3.868 -2.285 -6.565 1.00 0.00 C ATOM 591 SD MET A 38 -3.847 -1.853 -8.319 1.00 0.00 S ATOM 592 CE MET A 38 -4.485 -3.351 -9.063 1.00 0.00 C ATOM 0 H MET A 38 -1.285 -0.897 -3.760 1.00 0.00 H new ATOM 0 HA MET A 38 -4.236 -1.246 -3.812 1.00 0.00 H new ATOM 0 HB2 MET A 38 -3.759 -0.262 -5.885 1.00 0.00 H new ATOM 0 HB3 MET A 38 -2.204 -1.058 -6.025 1.00 0.00 H new ATOM 0 HG2 MET A 38 -3.335 -3.224 -6.416 1.00 0.00 H new ATOM 0 HG3 MET A 38 -4.897 -2.449 -6.244 1.00 0.00 H new ATOM 0 HE1 MET A 38 -4.118 -3.434 -10.086 1.00 0.00 H new ATOM 0 HE2 MET A 38 -4.152 -4.214 -8.486 1.00 0.00 H new ATOM 0 HE3 MET A 38 -5.574 -3.318 -9.070 1.00 0.00 H new ATOM 602 N VAL A 39 -3.857 -3.595 -3.183 1.00 0.00 N ATOM 603 CA VAL A 39 -3.661 -4.982 -2.791 1.00 0.00 C ATOM 604 C VAL A 39 -4.379 -5.914 -3.749 1.00 0.00 C ATOM 605 O VAL A 39 -5.471 -5.604 -4.227 1.00 0.00 O ATOM 606 CB VAL A 39 -4.136 -5.253 -1.346 1.00 0.00 C ATOM 607 CG1 VAL A 39 -3.304 -4.464 -0.353 1.00 0.00 C ATOM 608 CG2 VAL A 39 -5.614 -4.924 -1.178 1.00 0.00 C ATOM 0 H VAL A 39 -4.733 -3.183 -2.861 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.589 -5.174 -2.831 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.003 -6.316 -1.147 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.654 -4.669 0.659 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.258 -4.757 -0.441 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.401 -3.399 -0.562 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.917 -5.125 -0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.781 -3.871 -1.406 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.203 -5.540 -1.857 1.00 0.00 H new ATOM 618 N LYS A 40 -3.764 -7.046 -4.037 1.00 0.00 N ATOM 619 CA LYS A 40 -4.308 -7.986 -5.000 1.00 0.00 C ATOM 620 C LYS A 40 -3.845 -9.402 -4.694 1.00 0.00 C ATOM 621 O LYS A 40 -2.708 -9.780 -4.998 1.00 0.00 O ATOM 622 CB LYS A 40 -3.881 -7.599 -6.419 1.00 0.00 C ATOM 623 CG LYS A 40 -2.446 -7.093 -6.512 1.00 0.00 C ATOM 624 CD LYS A 40 -1.909 -7.195 -7.927 1.00 0.00 C ATOM 625 CE LYS A 40 -0.975 -8.390 -8.079 1.00 0.00 C ATOM 626 NZ LYS A 40 -1.586 -9.669 -7.613 1.00 0.00 N ATOM 0 H LYS A 40 -2.882 -7.338 -3.615 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.395 -7.951 -4.930 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.994 -8.465 -7.072 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.554 -6.827 -6.793 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.403 -6.056 -6.180 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.812 -7.670 -5.839 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.739 -7.288 -8.628 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.376 -6.279 -8.183 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.689 -8.490 -9.126 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.061 -8.204 -7.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.919 -10.451 -7.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.804 -9.600 -6.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.462 -9.849 -8.144 1.00 0.00 H new ATOM 640 N GLU A 41 -4.742 -10.191 -4.134 1.00 0.00 N ATOM 641 CA GLU A 41 -4.423 -11.547 -3.732 1.00 0.00 C ATOM 642 C GLU A 41 -4.736 -12.538 -4.840 1.00 0.00 C ATOM 643 O GLU A 41 -5.884 -12.690 -5.262 1.00 0.00 O ATOM 644 CB GLU A 41 -5.189 -11.920 -2.461 1.00 0.00 C ATOM 645 CG GLU A 41 -4.583 -11.352 -1.184 1.00 0.00 C ATOM 646 CD GLU A 41 -4.348 -9.853 -1.245 1.00 0.00 C ATOM 647 OE1 GLU A 41 -5.333 -9.091 -1.184 1.00 0.00 O ATOM 648 OE2 GLU A 41 -3.172 -9.441 -1.359 1.00 0.00 O ATOM 0 H GLU A 41 -5.705 -9.913 -3.946 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.353 -11.592 -3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.216 -11.568 -2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.231 -13.006 -2.380 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.244 -11.575 -0.346 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.636 -11.853 -0.985 1.00 0.00 H new ATOM 655 N VAL A 42 -3.702 -13.208 -5.317 1.00 0.00 N ATOM 656 CA VAL A 42 -3.865 -14.246 -6.320 1.00 0.00 C ATOM 657 C VAL A 42 -3.906 -15.611 -5.639 1.00 0.00 C ATOM 658 O VAL A 42 -2.911 -16.057 -5.070 1.00 0.00 O ATOM 659 CB VAL A 42 -2.739 -14.191 -7.390 1.00 0.00 C ATOM 660 CG1 VAL A 42 -1.364 -14.138 -6.738 1.00 0.00 C ATOM 661 CG2 VAL A 42 -2.836 -15.375 -8.342 1.00 0.00 C ATOM 0 H VAL A 42 -2.737 -13.051 -5.025 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.807 -14.078 -6.842 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.874 -13.276 -7.967 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.596 -14.100 -7.511 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.292 -13.249 -6.111 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.218 -15.027 -6.124 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.037 -15.314 -9.081 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.739 -16.303 -7.779 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.801 -15.357 -8.848 1.00 0.00 H new ATOM 671 N GLU A 43 -5.082 -16.240 -5.649 1.00 0.00 N ATOM 672 CA GLU A 43 -5.284 -17.528 -4.977 1.00 0.00 C ATOM 673 C GLU A 43 -5.028 -17.408 -3.475 1.00 0.00 C ATOM 674 O GLU A 43 -4.684 -18.388 -2.821 1.00 0.00 O ATOM 675 CB GLU A 43 -4.378 -18.606 -5.581 1.00 0.00 C ATOM 676 CG GLU A 43 -4.784 -19.024 -6.983 1.00 0.00 C ATOM 677 CD GLU A 43 -6.136 -19.701 -7.010 1.00 0.00 C ATOM 678 OE1 GLU A 43 -6.195 -20.923 -6.761 1.00 0.00 O ATOM 679 OE2 GLU A 43 -7.146 -19.020 -7.281 1.00 0.00 O ATOM 0 H GLU A 43 -5.913 -15.878 -6.117 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.323 -17.821 -5.128 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.353 -18.237 -5.603 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.387 -19.482 -4.932 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.806 -18.147 -7.629 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.033 -19.701 -7.390 1.00 0.00 H new ATOM 686 N ASN A 44 -5.222 -16.195 -2.945 1.00 0.00 N ATOM 687 CA ASN A 44 -5.002 -15.886 -1.523 1.00 0.00 C ATOM 688 C ASN A 44 -3.506 -15.783 -1.217 1.00 0.00 C ATOM 689 O ASN A 44 -3.071 -15.949 -0.077 1.00 0.00 O ATOM 690 CB ASN A 44 -5.685 -16.912 -0.603 1.00 0.00 C ATOM 691 CG ASN A 44 -5.724 -16.470 0.851 1.00 0.00 C ATOM 692 OD1 ASN A 44 -5.792 -15.278 1.153 1.00 0.00 O ATOM 693 ND2 ASN A 44 -5.682 -17.426 1.765 1.00 0.00 N ATOM 0 H ASN A 44 -5.538 -15.394 -3.492 1.00 0.00 H new ATOM 0 HA ASN A 44 -5.461 -14.918 -1.322 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.703 -17.084 -0.952 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -5.158 -17.864 -0.674 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.706 -17.186 2.756 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.626 -18.403 1.479 1.00 0.00 H new ATOM 700 N ARG A 45 -2.716 -15.519 -2.250 1.00 0.00 N ATOM 701 CA ARG A 45 -1.328 -15.123 -2.061 1.00 0.00 C ATOM 702 C ARG A 45 -1.284 -13.617 -1.841 1.00 0.00 C ATOM 703 O ARG A 45 -1.510 -12.849 -2.780 1.00 0.00 O ATOM 704 CB ARG A 45 -0.462 -15.499 -3.273 1.00 0.00 C ATOM 705 CG ARG A 45 0.154 -16.897 -3.227 1.00 0.00 C ATOM 706 CD ARG A 45 -0.888 -18.007 -3.201 1.00 0.00 C ATOM 707 NE ARG A 45 -1.346 -18.308 -1.845 1.00 0.00 N ATOM 708 CZ ARG A 45 -2.018 -19.409 -1.514 1.00 0.00 C ATOM 709 NH1 ARG A 45 -2.321 -20.314 -2.441 1.00 0.00 N ATOM 710 NH2 ARG A 45 -2.376 -19.608 -0.251 1.00 0.00 N ATOM 0 H ARG A 45 -3.012 -15.572 -3.225 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.925 -15.650 -1.196 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.071 -15.418 -4.173 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.342 -14.769 -3.365 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.799 -17.032 -4.095 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.787 -16.980 -2.344 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.741 -17.716 -3.814 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.467 -18.908 -3.648 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.138 -17.634 -1.108 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.038 -20.166 -3.410 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.836 -21.156 -2.183 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.136 -18.919 0.462 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.891 -20.450 0.007 1.00 0.00 H new ATOM 724 N PRO A 46 -1.015 -13.185 -0.600 1.00 0.00 N ATOM 725 CA PRO A 46 -1.058 -11.768 -0.219 1.00 0.00 C ATOM 726 C PRO A 46 -0.032 -10.933 -0.973 1.00 0.00 C ATOM 727 O PRO A 46 1.167 -11.228 -0.953 1.00 0.00 O ATOM 728 CB PRO A 46 -0.740 -11.780 1.281 1.00 0.00 C ATOM 729 CG PRO A 46 -0.966 -13.186 1.718 1.00 0.00 C ATOM 730 CD PRO A 46 -0.633 -14.039 0.531 1.00 0.00 C ATOM 0 HA PRO A 46 -2.022 -11.318 -0.456 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.288 -11.470 1.468 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -1.385 -11.090 1.826 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.334 -13.437 2.570 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.999 -13.337 2.031 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.425 -14.298 0.503 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.190 -14.976 0.537 1.00 0.00 H new ATOM 738 N ALA A 47 -0.509 -9.891 -1.636 1.00 0.00 N ATOM 739 CA ALA A 47 0.354 -9.035 -2.424 1.00 0.00 C ATOM 740 C ALA A 47 -0.104 -7.586 -2.368 1.00 0.00 C ATOM 741 O ALA A 47 -1.220 -7.253 -2.774 1.00 0.00 O ATOM 742 CB ALA A 47 0.387 -9.519 -3.862 1.00 0.00 C ATOM 0 H ALA A 47 -1.492 -9.620 -1.642 1.00 0.00 H new ATOM 0 HA ALA A 47 1.358 -9.084 -2.003 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.038 -8.871 -4.449 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.767 -10.540 -3.894 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.620 -9.494 -4.277 1.00 0.00 H new ATOM 748 N VAL A 48 0.774 -6.719 -1.899 1.00 0.00 N ATOM 749 CA VAL A 48 0.458 -5.306 -1.805 1.00 0.00 C ATOM 750 C VAL A 48 1.348 -4.497 -2.746 1.00 0.00 C ATOM 751 O VAL A 48 2.576 -4.611 -2.722 1.00 0.00 O ATOM 752 CB VAL A 48 0.589 -4.784 -0.351 1.00 0.00 C ATOM 753 CG1 VAL A 48 1.988 -5.028 0.204 1.00 0.00 C ATOM 754 CG2 VAL A 48 0.229 -3.306 -0.273 1.00 0.00 C ATOM 0 H VAL A 48 1.710 -6.968 -1.578 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.582 -5.180 -2.107 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.115 -5.343 0.266 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.045 -4.650 1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.199 -6.097 0.200 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.721 -4.511 -0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.328 -2.961 0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.900 -2.734 -0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.799 -3.164 -0.606 1.00 0.00 H new ATOM 764 N SER A 49 0.712 -3.717 -3.605 1.00 0.00 N ATOM 765 CA SER A 49 1.425 -2.909 -4.576 1.00 0.00 C ATOM 766 C SER A 49 1.508 -1.463 -4.113 1.00 0.00 C ATOM 767 O SER A 49 0.489 -0.786 -3.973 1.00 0.00 O ATOM 768 CB SER A 49 0.720 -2.977 -5.932 1.00 0.00 C ATOM 769 OG SER A 49 0.405 -4.318 -6.267 1.00 0.00 O ATOM 0 H SER A 49 -0.303 -3.627 -3.648 1.00 0.00 H new ATOM 0 HA SER A 49 2.437 -3.303 -4.675 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.192 -2.380 -5.904 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.360 -2.545 -6.702 1.00 0.00 H new ATOM 0 HG SER A 49 -0.046 -4.341 -7.137 1.00 0.00 H new ATOM 775 N LEU A 50 2.717 -1.000 -3.861 1.00 0.00 N ATOM 776 CA LEU A 50 2.933 0.385 -3.486 1.00 0.00 C ATOM 777 C LEU A 50 3.373 1.183 -4.700 1.00 0.00 C ATOM 778 O LEU A 50 3.934 0.627 -5.650 1.00 0.00 O ATOM 779 CB LEU A 50 3.979 0.514 -2.369 1.00 0.00 C ATOM 780 CG LEU A 50 3.509 0.136 -0.959 1.00 0.00 C ATOM 781 CD1 LEU A 50 3.332 -1.369 -0.821 1.00 0.00 C ATOM 782 CD2 LEU A 50 4.491 0.658 0.081 1.00 0.00 C ATOM 0 H LEU A 50 3.566 -1.563 -3.909 1.00 0.00 H new ATOM 0 HA LEU A 50 1.991 0.780 -3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.834 -0.112 -2.625 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.333 1.545 -2.348 1.00 0.00 H new ATOM 0 HG LEU A 50 2.538 0.601 -0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.998 -1.605 0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.588 -1.715 -1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.282 -1.866 -1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.146 0.383 1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.474 0.222 -0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.557 1.743 0.007 1.00 0.00 H new ATOM 794 N LYS A 51 3.133 2.482 -4.656 1.00 0.00 N ATOM 795 CA LYS A 51 3.476 3.374 -5.759 1.00 0.00 C ATOM 796 C LYS A 51 4.965 3.737 -5.719 1.00 0.00 C ATOM 797 O LYS A 51 5.354 4.854 -6.059 1.00 0.00 O ATOM 798 CB LYS A 51 2.609 4.636 -5.676 1.00 0.00 C ATOM 799 CG LYS A 51 2.519 5.420 -6.976 1.00 0.00 C ATOM 800 CD LYS A 51 1.586 6.613 -6.839 1.00 0.00 C ATOM 801 CE LYS A 51 1.424 7.349 -8.156 1.00 0.00 C ATOM 802 NZ LYS A 51 0.503 8.509 -8.030 1.00 0.00 N ATOM 0 H LYS A 51 2.697 2.950 -3.861 1.00 0.00 H new ATOM 0 HA LYS A 51 3.283 2.867 -6.704 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.603 4.352 -5.366 1.00 0.00 H new ATOM 0 HB3 LYS A 51 3.010 5.288 -4.899 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.512 5.764 -7.265 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.163 4.767 -7.773 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.611 6.275 -6.488 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.977 7.297 -6.085 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.398 7.694 -8.502 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.043 6.662 -8.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.418 8.986 -8.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.434 8.177 -7.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.880 9.177 -7.327 1.00 0.00 H new ATOM 816 N THR A 52 5.785 2.761 -5.326 1.00 0.00 N ATOM 817 CA THR A 52 7.231 2.933 -5.209 1.00 0.00 C ATOM 818 C THR A 52 7.589 3.898 -4.076 1.00 0.00 C ATOM 819 O THR A 52 7.400 5.110 -4.177 1.00 0.00 O ATOM 820 CB THR A 52 7.851 3.407 -6.541 1.00 0.00 C ATOM 821 OG1 THR A 52 7.491 2.499 -7.590 1.00 0.00 O ATOM 822 CG2 THR A 52 9.368 3.492 -6.442 1.00 0.00 C ATOM 0 H THR A 52 5.462 1.826 -5.079 1.00 0.00 H new ATOM 0 HA THR A 52 7.653 1.957 -4.968 1.00 0.00 H new ATOM 0 HB THR A 52 7.465 4.402 -6.761 1.00 0.00 H new ATOM 0 HG1 THR A 52 6.799 2.906 -8.152 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.777 3.828 -7.395 1.00 0.00 H new ATOM 0 HG22 THR A 52 9.642 4.199 -5.660 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.773 2.509 -6.201 1.00 0.00 H new ATOM 830 N SER A 53 8.089 3.342 -2.981 1.00 0.00 N ATOM 831 CA SER A 53 8.453 4.133 -1.817 1.00 0.00 C ATOM 832 C SER A 53 9.895 3.838 -1.409 1.00 0.00 C ATOM 833 O SER A 53 10.370 2.714 -1.581 1.00 0.00 O ATOM 834 CB SER A 53 7.486 3.830 -0.670 1.00 0.00 C ATOM 835 OG SER A 53 6.143 3.946 -1.111 1.00 0.00 O ATOM 0 H SER A 53 8.252 2.341 -2.876 1.00 0.00 H new ATOM 0 HA SER A 53 8.383 5.193 -2.062 1.00 0.00 H new ATOM 0 HB2 SER A 53 7.665 2.824 -0.291 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.665 4.518 0.156 1.00 0.00 H new ATOM 0 HG SER A 53 5.697 4.665 -0.616 1.00 0.00 H new ATOM 841 N PRO A 54 10.605 4.846 -0.867 1.00 0.00 N ATOM 842 CA PRO A 54 12.036 4.746 -0.534 1.00 0.00 C ATOM 843 C PRO A 54 12.396 3.509 0.289 1.00 0.00 C ATOM 844 O PRO A 54 13.104 2.624 -0.193 1.00 0.00 O ATOM 845 CB PRO A 54 12.298 6.014 0.280 1.00 0.00 C ATOM 846 CG PRO A 54 11.288 6.988 -0.210 1.00 0.00 C ATOM 847 CD PRO A 54 10.062 6.180 -0.538 1.00 0.00 C ATOM 0 HA PRO A 54 12.640 4.652 -1.437 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.186 5.830 1.348 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.312 6.382 0.125 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.069 7.739 0.549 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.652 7.520 -1.089 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.373 6.136 0.306 1.00 0.00 H new ATOM 0 HD3 PRO A 54 9.512 6.607 -1.377 1.00 0.00 H new ATOM 855 N GLU A 55 11.880 3.439 1.513 1.00 0.00 N ATOM 856 CA GLU A 55 12.245 2.377 2.454 1.00 0.00 C ATOM 857 C GLU A 55 12.005 0.980 1.889 1.00 0.00 C ATOM 858 O GLU A 55 12.710 0.039 2.244 1.00 0.00 O ATOM 859 CB GLU A 55 11.492 2.545 3.771 1.00 0.00 C ATOM 860 CG GLU A 55 11.989 3.719 4.599 1.00 0.00 C ATOM 861 CD GLU A 55 11.212 3.902 5.886 1.00 0.00 C ATOM 862 OE1 GLU A 55 11.522 3.204 6.875 1.00 0.00 O ATOM 863 OE2 GLU A 55 10.293 4.748 5.921 1.00 0.00 O ATOM 0 H GLU A 55 11.204 4.108 1.881 1.00 0.00 H new ATOM 0 HA GLU A 55 13.316 2.473 2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.431 2.680 3.561 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.587 1.630 4.356 1.00 0.00 H new ATOM 0 HG2 GLU A 55 13.043 3.571 4.834 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.920 4.631 4.006 1.00 0.00 H new ATOM 870 N LEU A 56 11.016 0.843 1.014 1.00 0.00 N ATOM 871 CA LEU A 56 10.710 -0.452 0.410 1.00 0.00 C ATOM 872 C LEU A 56 11.881 -0.945 -0.439 1.00 0.00 C ATOM 873 O LEU A 56 12.190 -2.136 -0.453 1.00 0.00 O ATOM 874 CB LEU A 56 9.430 -0.377 -0.438 1.00 0.00 C ATOM 875 CG LEU A 56 8.108 -0.432 0.344 1.00 0.00 C ATOM 876 CD1 LEU A 56 8.026 -1.712 1.161 1.00 0.00 C ATOM 877 CD2 LEU A 56 7.944 0.790 1.241 1.00 0.00 C ATOM 0 H LEU A 56 10.414 1.607 0.707 1.00 0.00 H new ATOM 0 HA LEU A 56 10.543 -1.165 1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.452 0.548 -1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.442 -1.199 -1.154 1.00 0.00 H new ATOM 0 HG LEU A 56 7.291 -0.427 -0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.084 -1.735 1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.079 -2.573 0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.856 -1.747 1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.999 0.721 1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.767 0.831 1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.948 1.693 0.630 1.00 0.00 H new ATOM 889 N ALA A 57 12.543 -0.018 -1.122 1.00 0.00 N ATOM 890 CA ALA A 57 13.685 -0.358 -1.960 1.00 0.00 C ATOM 891 C ALA A 57 14.898 -0.694 -1.101 1.00 0.00 C ATOM 892 O ALA A 57 15.613 -1.660 -1.375 1.00 0.00 O ATOM 893 CB ALA A 57 13.998 0.781 -2.918 1.00 0.00 C ATOM 0 H ALA A 57 12.308 0.974 -1.111 1.00 0.00 H new ATOM 0 HA ALA A 57 13.433 -1.240 -2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.854 0.511 -3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.134 0.968 -3.555 1.00 0.00 H new ATOM 0 HB3 ALA A 57 14.231 1.681 -2.349 1.00 0.00 H new ATOM 899 N GLU A 58 15.116 0.095 -0.054 1.00 0.00 N ATOM 900 CA GLU A 58 16.197 -0.170 0.886 1.00 0.00 C ATOM 901 C GLU A 58 15.994 -1.516 1.570 1.00 0.00 C ATOM 902 O GLU A 58 16.934 -2.295 1.717 1.00 0.00 O ATOM 903 CB GLU A 58 16.295 0.935 1.941 1.00 0.00 C ATOM 904 CG GLU A 58 17.058 2.173 1.488 1.00 0.00 C ATOM 905 CD GLU A 58 16.295 3.021 0.494 1.00 0.00 C ATOM 906 OE1 GLU A 58 15.509 3.889 0.934 1.00 0.00 O ATOM 907 OE2 GLU A 58 16.479 2.830 -0.725 1.00 0.00 O ATOM 0 H GLU A 58 14.559 0.921 0.164 1.00 0.00 H new ATOM 0 HA GLU A 58 17.128 -0.193 0.320 1.00 0.00 H new ATOM 0 HB2 GLU A 58 15.288 1.231 2.234 1.00 0.00 H new ATOM 0 HB3 GLU A 58 16.779 0.530 2.830 1.00 0.00 H new ATOM 0 HG2 GLU A 58 17.301 2.780 2.360 1.00 0.00 H new ATOM 0 HG3 GLU A 58 18.003 1.864 1.041 1.00 0.00 H new ATOM 914 N LEU A 59 14.758 -1.781 1.971 1.00 0.00 N ATOM 915 CA LEU A 59 14.408 -3.021 2.651 1.00 0.00 C ATOM 916 C LEU A 59 14.815 -4.231 1.817 1.00 0.00 C ATOM 917 O LEU A 59 15.500 -5.132 2.309 1.00 0.00 O ATOM 918 CB LEU A 59 12.897 -3.041 2.940 1.00 0.00 C ATOM 919 CG LEU A 59 12.385 -4.173 3.846 1.00 0.00 C ATOM 920 CD1 LEU A 59 11.067 -3.775 4.493 1.00 0.00 C ATOM 921 CD2 LEU A 59 12.194 -5.465 3.062 1.00 0.00 C ATOM 0 H LEU A 59 13.972 -1.145 1.835 1.00 0.00 H new ATOM 0 HA LEU A 59 14.951 -3.072 3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 59 12.625 -2.089 3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 59 12.369 -3.101 1.988 1.00 0.00 H new ATOM 0 HG LEU A 59 13.135 -4.343 4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.716 -4.585 5.132 1.00 0.00 H new ATOM 0 HD12 LEU A 59 11.213 -2.877 5.093 1.00 0.00 H new ATOM 0 HD13 LEU A 59 10.326 -3.577 3.718 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.831 -6.246 3.730 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.468 -5.303 2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 59 13.146 -5.772 2.628 1.00 0.00 H new ATOM 933 N LEU A 60 14.415 -4.241 0.550 1.00 0.00 N ATOM 934 CA LEU A 60 14.677 -5.383 -0.317 1.00 0.00 C ATOM 935 C LEU A 60 16.171 -5.527 -0.589 1.00 0.00 C ATOM 936 O LEU A 60 16.676 -6.639 -0.749 1.00 0.00 O ATOM 937 CB LEU A 60 13.871 -5.273 -1.621 1.00 0.00 C ATOM 938 CG LEU A 60 14.272 -4.161 -2.596 1.00 0.00 C ATOM 939 CD1 LEU A 60 15.286 -4.671 -3.608 1.00 0.00 C ATOM 940 CD2 LEU A 60 13.043 -3.615 -3.305 1.00 0.00 C ATOM 0 H LEU A 60 13.911 -3.475 0.103 1.00 0.00 H new ATOM 0 HA LEU A 60 14.350 -6.287 0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 60 13.944 -6.226 -2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 60 12.822 -5.132 -1.360 1.00 0.00 H new ATOM 0 HG LEU A 60 14.735 -3.355 -2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 60 15.556 -3.865 -4.290 1.00 0.00 H new ATOM 0 HD12 LEU A 60 16.177 -5.019 -3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 60 14.852 -5.495 -4.174 1.00 0.00 H new ATOM 0 HD21 LEU A 60 13.342 -2.826 -3.995 1.00 0.00 H new ATOM 0 HD22 LEU A 60 12.557 -4.417 -3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.348 -3.210 -2.569 1.00 0.00 H new ATOM 952 N ARG A 61 16.872 -4.398 -0.608 1.00 0.00 N ATOM 953 CA ARG A 61 18.316 -4.386 -0.812 1.00 0.00 C ATOM 954 C ARG A 61 19.034 -5.144 0.302 1.00 0.00 C ATOM 955 O ARG A 61 20.013 -5.849 0.052 1.00 0.00 O ATOM 956 CB ARG A 61 18.835 -2.947 -0.864 1.00 0.00 C ATOM 957 CG ARG A 61 19.186 -2.444 -2.258 1.00 0.00 C ATOM 958 CD ARG A 61 18.016 -2.558 -3.220 1.00 0.00 C ATOM 959 NE ARG A 61 18.192 -1.718 -4.402 1.00 0.00 N ATOM 960 CZ ARG A 61 17.894 -2.090 -5.647 1.00 0.00 C ATOM 961 NH1 ARG A 61 17.498 -3.330 -5.910 1.00 0.00 N ATOM 962 NH2 ARG A 61 18.038 -1.220 -6.635 1.00 0.00 N ATOM 0 H ARG A 61 16.460 -3.473 -0.484 1.00 0.00 H new ATOM 0 HA ARG A 61 18.521 -4.881 -1.761 1.00 0.00 H new ATOM 0 HB2 ARG A 61 18.080 -2.288 -0.435 1.00 0.00 H new ATOM 0 HB3 ARG A 61 19.720 -2.872 -0.233 1.00 0.00 H new ATOM 0 HG2 ARG A 61 19.504 -1.403 -2.197 1.00 0.00 H new ATOM 0 HG3 ARG A 61 20.030 -3.014 -2.646 1.00 0.00 H new ATOM 0 HD2 ARG A 61 17.901 -3.597 -3.528 1.00 0.00 H new ATOM 0 HD3 ARG A 61 17.097 -2.274 -2.708 1.00 0.00 H new ATOM 0 HE ARG A 61 18.570 -0.780 -4.265 1.00 0.00 H new ATOM 0 HH11 ARG A 61 17.419 -4.011 -5.155 1.00 0.00 H new ATOM 0 HH12 ARG A 61 17.273 -3.601 -6.867 1.00 0.00 H new ATOM 0 HH21 ARG A 61 18.374 -0.277 -6.439 1.00 0.00 H new ATOM 0 HH22 ARG A 61 17.813 -1.493 -7.592 1.00 0.00 H new ATOM 976 N GLN A 62 18.539 -5.001 1.530 1.00 0.00 N ATOM 977 CA GLN A 62 19.197 -5.603 2.687 1.00 0.00 C ATOM 978 C GLN A 62 18.673 -7.015 2.942 1.00 0.00 C ATOM 979 O GLN A 62 19.448 -7.945 3.163 1.00 0.00 O ATOM 980 CB GLN A 62 18.979 -4.760 3.950 1.00 0.00 C ATOM 981 CG GLN A 62 19.034 -3.254 3.730 1.00 0.00 C ATOM 982 CD GLN A 62 20.267 -2.791 2.977 1.00 0.00 C ATOM 983 OE1 GLN A 62 21.335 -3.399 3.056 1.00 0.00 O ATOM 984 NE2 GLN A 62 20.120 -1.702 2.238 1.00 0.00 N ATOM 0 H GLN A 62 17.691 -4.478 1.748 1.00 0.00 H new ATOM 0 HA GLN A 62 20.263 -5.645 2.461 1.00 0.00 H new ATOM 0 HB2 GLN A 62 18.009 -5.015 4.377 1.00 0.00 H new ATOM 0 HB3 GLN A 62 19.734 -5.033 4.687 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.146 -2.944 3.180 1.00 0.00 H new ATOM 0 HG3 GLN A 62 19.001 -2.753 4.698 1.00 0.00 H new ATOM 0 HE21 GLN A 62 19.217 -1.229 2.201 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.910 -1.336 1.706 1.00 0.00 H new ATOM 993 N GLN A 63 17.353 -7.164 2.902 1.00 0.00 N ATOM 994 CA GLN A 63 16.698 -8.429 3.237 1.00 0.00 C ATOM 995 C GLN A 63 17.013 -9.536 2.240 1.00 0.00 C ATOM 996 O GLN A 63 17.433 -10.624 2.639 1.00 0.00 O ATOM 997 CB GLN A 63 15.184 -8.233 3.328 1.00 0.00 C ATOM 998 CG GLN A 63 14.700 -7.912 4.733 1.00 0.00 C ATOM 999 CD GLN A 63 14.717 -9.131 5.640 1.00 0.00 C ATOM 1000 OE1 GLN A 63 14.516 -10.261 5.189 1.00 0.00 O ATOM 1001 NE2 GLN A 63 14.969 -8.916 6.921 1.00 0.00 N ATOM 0 H GLN A 63 16.709 -6.418 2.639 1.00 0.00 H new ATOM 0 HA GLN A 63 17.092 -8.741 4.204 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.889 -7.427 2.657 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.686 -9.137 2.978 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.330 -7.133 5.163 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.687 -7.512 4.684 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.130 -7.966 7.257 1.00 0.00 H new ATOM 0 HE22 GLN A 63 15.002 -9.700 7.573 1.00 0.00 H new ATOM 1010 N HIS A 64 16.819 -9.257 0.950 1.00 0.00 N ATOM 1011 CA HIS A 64 16.951 -10.277 -0.095 1.00 0.00 C ATOM 1012 C HIS A 64 15.912 -11.381 0.122 1.00 0.00 C ATOM 1013 O HIS A 64 14.894 -11.164 0.786 1.00 0.00 O ATOM 1014 CB HIS A 64 18.360 -10.899 -0.103 1.00 0.00 C ATOM 1015 CG HIS A 64 19.474 -9.945 -0.413 1.00 0.00 C ATOM 1016 ND1 HIS A 64 19.933 -9.714 -1.691 1.00 0.00 N ATOM 1017 CD2 HIS A 64 20.252 -9.192 0.402 1.00 0.00 C ATOM 1018 CE1 HIS A 64 20.943 -8.865 -1.649 1.00 0.00 C ATOM 1019 NE2 HIS A 64 21.155 -8.531 -0.393 1.00 0.00 N ATOM 0 H HIS A 64 16.569 -8.331 0.602 1.00 0.00 H new ATOM 0 HA HIS A 64 16.785 -9.791 -1.057 1.00 0.00 H new ATOM 0 HB2 HIS A 64 18.548 -11.348 0.872 1.00 0.00 H new ATOM 0 HB3 HIS A 64 18.380 -11.707 -0.835 1.00 0.00 H new ATOM 0 HD2 HIS A 64 20.176 -9.124 1.477 1.00 0.00 H new ATOM 0 HE1 HIS A 64 21.501 -8.505 -2.501 1.00 0.00 H new ATOM 0 HE2 HIS A 64 21.873 -7.886 -0.064 1.00 0.00 H new ATOM 1028 N SER A 65 16.170 -12.547 -0.467 1.00 0.00 N ATOM 1029 CA SER A 65 15.395 -13.761 -0.211 1.00 0.00 C ATOM 1030 C SER A 65 13.975 -13.706 -0.785 1.00 0.00 C ATOM 1031 O SER A 65 13.721 -14.226 -1.873 1.00 0.00 O ATOM 1032 CB SER A 65 15.357 -14.062 1.295 1.00 0.00 C ATOM 1033 OG SER A 65 14.634 -15.249 1.576 1.00 0.00 O ATOM 0 H SER A 65 16.926 -12.678 -1.139 1.00 0.00 H new ATOM 0 HA SER A 65 15.905 -14.571 -0.732 1.00 0.00 H new ATOM 0 HB2 SER A 65 16.375 -14.158 1.672 1.00 0.00 H new ATOM 0 HB3 SER A 65 14.900 -13.224 1.822 1.00 0.00 H new ATOM 0 HG SER A 65 14.632 -15.410 2.543 1.00 0.00 H new ATOM 1039 N ASP A 66 13.059 -13.070 -0.069 1.00 0.00 N ATOM 1040 CA ASP A 66 11.638 -13.190 -0.384 1.00 0.00 C ATOM 1041 C ASP A 66 11.173 -12.080 -1.316 1.00 0.00 C ATOM 1042 O ASP A 66 10.050 -12.107 -1.810 1.00 0.00 O ATOM 1043 CB ASP A 66 10.809 -13.164 0.901 1.00 0.00 C ATOM 1044 CG ASP A 66 9.488 -13.907 0.774 1.00 0.00 C ATOM 1045 OD1 ASP A 66 8.481 -13.296 0.353 1.00 0.00 O ATOM 1046 OD2 ASP A 66 9.449 -15.105 1.117 1.00 0.00 O ATOM 0 H ASP A 66 13.269 -12.470 0.728 1.00 0.00 H new ATOM 0 HA ASP A 66 11.494 -14.142 -0.894 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.391 -13.605 1.710 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.611 -12.128 1.178 1.00 0.00 H new ATOM 1051 N VAL A 67 12.032 -11.103 -1.562 1.00 0.00 N ATOM 1052 CA VAL A 67 11.675 -10.009 -2.449 1.00 0.00 C ATOM 1053 C VAL A 67 11.879 -10.420 -3.901 1.00 0.00 C ATOM 1054 O VAL A 67 12.941 -10.927 -4.270 1.00 0.00 O ATOM 1055 CB VAL A 67 12.487 -8.738 -2.154 1.00 0.00 C ATOM 1056 CG1 VAL A 67 12.003 -7.589 -3.030 1.00 0.00 C ATOM 1057 CG2 VAL A 67 12.390 -8.372 -0.676 1.00 0.00 C ATOM 0 H VAL A 67 12.970 -11.045 -1.165 1.00 0.00 H new ATOM 0 HA VAL A 67 10.623 -9.782 -2.274 1.00 0.00 H new ATOM 0 HB VAL A 67 13.534 -8.930 -2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.586 -6.694 -2.812 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.126 -7.855 -4.080 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.950 -7.395 -2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 67 12.971 -7.470 -0.486 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.347 -8.194 -0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 67 12.782 -9.190 -0.072 1.00 0.00 H new ATOM 1067 N ARG A 68 10.856 -10.197 -4.715 1.00 0.00 N ATOM 1068 CA ARG A 68 10.844 -10.675 -6.090 1.00 0.00 C ATOM 1069 C ARG A 68 9.948 -9.802 -6.972 1.00 0.00 C ATOM 1070 O ARG A 68 8.741 -10.025 -7.062 1.00 0.00 O ATOM 1071 CB ARG A 68 10.377 -12.127 -6.103 1.00 0.00 C ATOM 1072 CG ARG A 68 9.298 -12.394 -5.075 1.00 0.00 C ATOM 1073 CD ARG A 68 9.310 -13.834 -4.616 1.00 0.00 C ATOM 1074 NE ARG A 68 8.704 -13.966 -3.293 1.00 0.00 N ATOM 1075 CZ ARG A 68 7.829 -14.904 -2.945 1.00 0.00 C ATOM 1076 NH1 ARG A 68 7.433 -15.820 -3.821 1.00 0.00 N ATOM 1077 NH2 ARG A 68 7.354 -14.931 -1.710 1.00 0.00 N ATOM 0 H ARG A 68 10.017 -9.684 -4.443 1.00 0.00 H new ATOM 0 HA ARG A 68 11.852 -10.614 -6.501 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.000 -12.376 -7.095 1.00 0.00 H new ATOM 0 HB3 ARG A 68 11.227 -12.781 -5.912 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.442 -11.737 -4.217 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.323 -12.155 -5.500 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.768 -14.452 -5.332 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.335 -14.202 -4.589 1.00 0.00 H new ATOM 0 HE ARG A 68 8.973 -13.286 -2.582 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.801 -15.809 -4.772 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.761 -16.535 -3.543 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.660 -14.234 -1.031 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.682 -15.649 -1.438 1.00 0.00 H new ATOM 1091 N PRO A 69 10.528 -8.770 -7.607 1.00 0.00 N ATOM 1092 CA PRO A 69 9.797 -7.893 -8.529 1.00 0.00 C ATOM 1093 C PRO A 69 9.327 -8.659 -9.759 1.00 0.00 C ATOM 1094 O PRO A 69 10.116 -8.971 -10.654 1.00 0.00 O ATOM 1095 CB PRO A 69 10.824 -6.820 -8.917 1.00 0.00 C ATOM 1096 CG PRO A 69 11.911 -6.930 -7.903 1.00 0.00 C ATOM 1097 CD PRO A 69 11.937 -8.371 -7.480 1.00 0.00 C ATOM 0 HA PRO A 69 8.899 -7.473 -8.077 1.00 0.00 H new ATOM 0 HB2 PRO A 69 11.207 -6.988 -9.924 1.00 0.00 H new ATOM 0 HB3 PRO A 69 10.377 -5.826 -8.908 1.00 0.00 H new ATOM 0 HG2 PRO A 69 12.870 -6.630 -8.325 1.00 0.00 H new ATOM 0 HG3 PRO A 69 11.718 -6.277 -7.052 1.00 0.00 H new ATOM 0 HD2 PRO A 69 12.586 -8.969 -8.119 1.00 0.00 H new ATOM 0 HD3 PRO A 69 12.300 -8.487 -6.459 1.00 0.00 H new ATOM 1105 N SER A 70 8.039 -8.964 -9.793 1.00 0.00 N ATOM 1106 CA SER A 70 7.488 -9.843 -10.814 1.00 0.00 C ATOM 1107 C SER A 70 6.438 -9.121 -11.654 1.00 0.00 C ATOM 1108 O SER A 70 6.007 -8.015 -11.307 1.00 0.00 O ATOM 1109 CB SER A 70 6.869 -11.068 -10.145 1.00 0.00 C ATOM 1110 OG SER A 70 7.799 -11.703 -9.279 1.00 0.00 O ATOM 0 H SER A 70 7.353 -8.615 -9.123 1.00 0.00 H new ATOM 0 HA SER A 70 8.294 -10.153 -11.479 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.986 -10.770 -9.580 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.537 -11.773 -10.907 1.00 0.00 H new ATOM 0 HG SER A 70 8.004 -11.109 -8.527 1.00 0.00 H new ATOM 1116 N ARG A 71 6.033 -9.747 -12.758 1.00 0.00 N ATOM 1117 CA ARG A 71 5.005 -9.189 -13.620 1.00 0.00 C ATOM 1118 C ARG A 71 3.633 -9.263 -12.954 1.00 0.00 C ATOM 1119 O ARG A 71 2.863 -10.201 -13.154 1.00 0.00 O ATOM 1120 CB ARG A 71 4.991 -9.888 -14.985 1.00 0.00 C ATOM 1121 CG ARG A 71 4.938 -11.407 -14.912 1.00 0.00 C ATOM 1122 CD ARG A 71 4.895 -12.031 -16.297 1.00 0.00 C ATOM 1123 NE ARG A 71 5.984 -11.546 -17.147 1.00 0.00 N ATOM 1124 CZ ARG A 71 6.811 -12.334 -17.832 1.00 0.00 C ATOM 1125 NH1 ARG A 71 6.681 -13.654 -17.781 1.00 0.00 N ATOM 1126 NH2 ARG A 71 7.769 -11.788 -18.572 1.00 0.00 N ATOM 0 H ARG A 71 6.405 -10.643 -13.073 1.00 0.00 H new ATOM 0 HA ARG A 71 5.242 -8.138 -13.785 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.131 -9.533 -15.553 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.882 -9.594 -15.540 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.810 -11.777 -14.372 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.059 -11.714 -14.346 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.958 -13.116 -16.209 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.938 -11.805 -16.768 1.00 0.00 H new ATOM 0 HE ARG A 71 6.118 -10.537 -17.219 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.943 -14.072 -17.214 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.319 -14.250 -18.309 1.00 0.00 H new ATOM 0 HH21 ARG A 71 7.867 -10.773 -18.612 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.407 -12.383 -19.100 1.00 0.00 H new ATOM 1140 N HIS A 72 3.361 -8.286 -12.108 1.00 0.00 N ATOM 1141 CA HIS A 72 2.060 -8.169 -11.462 1.00 0.00 C ATOM 1142 C HIS A 72 1.133 -7.315 -12.315 1.00 0.00 C ATOM 1143 O HIS A 72 -0.080 -7.487 -12.297 1.00 0.00 O ATOM 1144 CB HIS A 72 2.211 -7.558 -10.061 1.00 0.00 C ATOM 1145 CG HIS A 72 2.817 -6.183 -10.056 1.00 0.00 C ATOM 1146 ND1 HIS A 72 2.060 -5.031 -10.083 1.00 0.00 N ATOM 1147 CD2 HIS A 72 4.112 -5.779 -10.033 1.00 0.00 C ATOM 1148 CE1 HIS A 72 2.861 -3.983 -10.079 1.00 0.00 C ATOM 1149 NE2 HIS A 72 4.109 -4.408 -10.051 1.00 0.00 N ATOM 0 H HIS A 72 4.026 -7.557 -11.849 1.00 0.00 H new ATOM 0 HA HIS A 72 1.627 -9.164 -11.358 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.230 -7.513 -9.588 1.00 0.00 H new ATOM 0 HB3 HIS A 72 2.829 -8.218 -9.452 1.00 0.00 H new ATOM 0 HD2 HIS A 72 4.982 -6.418 -10.006 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.547 -2.950 -10.096 1.00 0.00 H new ATOM 0 HE2 HIS A 72 4.938 -3.813 -10.044 1.00 0.00 H new ATOM 1158 N LEU A 73 1.744 -6.399 -13.057 1.00 0.00 N ATOM 1159 CA LEU A 73 1.046 -5.458 -13.932 1.00 0.00 C ATOM 1160 C LEU A 73 2.073 -4.830 -14.860 1.00 0.00 C ATOM 1161 O LEU A 73 1.961 -4.891 -16.080 1.00 0.00 O ATOM 1162 CB LEU A 73 0.346 -4.350 -13.127 1.00 0.00 C ATOM 1163 CG LEU A 73 -0.943 -4.755 -12.409 1.00 0.00 C ATOM 1164 CD1 LEU A 73 -1.408 -3.639 -11.486 1.00 0.00 C ATOM 1165 CD2 LEU A 73 -2.031 -5.097 -13.416 1.00 0.00 C ATOM 0 H LEU A 73 2.758 -6.285 -13.069 1.00 0.00 H new ATOM 0 HA LEU A 73 0.281 -5.995 -14.492 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.048 -3.969 -12.385 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.118 -3.526 -13.803 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.739 -5.641 -11.808 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.326 -3.942 -10.982 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.637 -3.436 -10.743 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.595 -2.738 -12.070 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.940 -5.383 -12.887 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.234 -4.228 -14.042 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.700 -5.926 -14.042 1.00 0.00 H new ATOM 1177 N ASN A 74 3.086 -4.237 -14.246 1.00 0.00 N ATOM 1178 CA ASN A 74 4.212 -3.661 -14.966 1.00 0.00 C ATOM 1179 C ASN A 74 5.476 -3.897 -14.148 1.00 0.00 C ATOM 1180 O ASN A 74 5.402 -3.979 -12.920 1.00 0.00 O ATOM 1181 CB ASN A 74 3.995 -2.158 -15.189 1.00 0.00 C ATOM 1182 CG ASN A 74 4.988 -1.556 -16.170 1.00 0.00 C ATOM 1183 OD1 ASN A 74 4.741 -1.520 -17.373 1.00 0.00 O ATOM 1184 ND2 ASN A 74 6.111 -1.068 -15.665 1.00 0.00 N ATOM 0 H ASN A 74 3.151 -4.141 -13.233 1.00 0.00 H new ATOM 0 HA ASN A 74 4.307 -4.134 -15.944 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.983 -1.993 -15.557 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.075 -1.639 -14.234 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.805 -0.644 -16.281 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.281 -1.116 -14.660 1.00 0.00 H new ATOM 1191 N LYS A 75 6.615 -4.023 -14.816 1.00 0.00 N ATOM 1192 CA LYS A 75 7.875 -4.306 -14.131 1.00 0.00 C ATOM 1193 C LYS A 75 8.357 -3.098 -13.332 1.00 0.00 C ATOM 1194 O LYS A 75 8.479 -3.164 -12.110 1.00 0.00 O ATOM 1195 CB LYS A 75 8.947 -4.720 -15.142 1.00 0.00 C ATOM 1196 CG LYS A 75 10.271 -5.127 -14.515 1.00 0.00 C ATOM 1197 CD LYS A 75 10.182 -6.487 -13.836 1.00 0.00 C ATOM 1198 CE LYS A 75 11.527 -6.900 -13.251 1.00 0.00 C ATOM 1199 NZ LYS A 75 11.578 -8.349 -12.914 1.00 0.00 N ATOM 0 H LYS A 75 6.695 -3.934 -15.829 1.00 0.00 H new ATOM 0 HA LYS A 75 7.698 -5.126 -13.436 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.568 -5.552 -15.736 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.122 -3.892 -15.828 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.044 -5.154 -15.283 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.574 -4.376 -13.785 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.433 -6.453 -13.045 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.851 -7.235 -14.556 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.317 -6.668 -13.965 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.725 -6.314 -12.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.549 -8.610 -12.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.937 -8.543 -12.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.283 -8.908 -13.740 1.00 0.00 H new ATOM 1213 N ALA A 76 8.617 -1.992 -14.020 1.00 0.00 N ATOM 1214 CA ALA A 76 9.177 -0.813 -13.375 1.00 0.00 C ATOM 1215 C ALA A 76 8.199 0.361 -13.377 1.00 0.00 C ATOM 1216 O ALA A 76 8.118 1.110 -14.350 1.00 0.00 O ATOM 1217 CB ALA A 76 10.486 -0.420 -14.049 1.00 0.00 C ATOM 0 H ALA A 76 8.449 -1.888 -15.021 1.00 0.00 H new ATOM 0 HA ALA A 76 9.372 -1.067 -12.333 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.897 0.463 -13.559 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.197 -1.242 -13.970 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.302 -0.199 -15.100 1.00 0.00 H new ATOM 1223 N HIS A 77 7.440 0.482 -12.286 1.00 0.00 N ATOM 1224 CA HIS A 77 6.561 1.632 -12.043 1.00 0.00 C ATOM 1225 C HIS A 77 5.773 1.387 -10.767 1.00 0.00 C ATOM 1226 O HIS A 77 5.694 2.242 -9.890 1.00 0.00 O ATOM 1227 CB HIS A 77 5.594 1.884 -13.205 1.00 0.00 C ATOM 1228 CG HIS A 77 5.288 3.339 -13.410 1.00 0.00 C ATOM 1229 ND1 HIS A 77 4.291 4.009 -12.735 1.00 0.00 N ATOM 1230 CD2 HIS A 77 5.871 4.258 -14.217 1.00 0.00 C ATOM 1231 CE1 HIS A 77 4.273 5.272 -13.118 1.00 0.00 C ATOM 1232 NE2 HIS A 77 5.220 5.448 -14.015 1.00 0.00 N ATOM 0 H HIS A 77 7.416 -0.216 -11.543 1.00 0.00 H new ATOM 0 HA HIS A 77 7.187 2.519 -11.947 1.00 0.00 H new ATOM 0 HB2 HIS A 77 6.022 1.476 -14.121 1.00 0.00 H new ATOM 0 HB3 HIS A 77 4.664 1.346 -13.020 1.00 0.00 H new ATOM 0 HD2 HIS A 77 6.695 4.086 -14.893 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.596 6.032 -12.757 1.00 0.00 H new ATOM 0 HE2 HIS A 77 5.435 6.328 -14.484 1.00 0.00 H new ATOM 1241 N TRP A 78 5.196 0.199 -10.683 1.00 0.00 N ATOM 1242 CA TRP A 78 4.539 -0.256 -9.470 1.00 0.00 C ATOM 1243 C TRP A 78 5.334 -1.413 -8.888 1.00 0.00 C ATOM 1244 O TRP A 78 5.869 -2.236 -9.634 1.00 0.00 O ATOM 1245 CB TRP A 78 3.113 -0.733 -9.755 1.00 0.00 C ATOM 1246 CG TRP A 78 2.151 0.344 -10.149 1.00 0.00 C ATOM 1247 CD1 TRP A 78 1.824 0.730 -11.417 1.00 0.00 C ATOM 1248 CD2 TRP A 78 1.373 1.159 -9.266 1.00 0.00 C ATOM 1249 NE1 TRP A 78 0.889 1.736 -11.376 1.00 0.00 N ATOM 1250 CE2 TRP A 78 0.597 2.018 -10.063 1.00 0.00 C ATOM 1251 CE3 TRP A 78 1.259 1.243 -7.875 1.00 0.00 C ATOM 1252 CZ2 TRP A 78 -0.281 2.953 -9.515 1.00 0.00 C ATOM 1253 CZ3 TRP A 78 0.390 2.167 -7.332 1.00 0.00 C ATOM 1254 CH2 TRP A 78 -0.372 3.010 -8.150 1.00 0.00 C ATOM 0 H TRP A 78 5.170 -0.473 -11.450 1.00 0.00 H new ATOM 0 HA TRP A 78 4.491 0.578 -8.770 1.00 0.00 H new ATOM 0 HB2 TRP A 78 3.147 -1.477 -10.551 1.00 0.00 H new ATOM 0 HB3 TRP A 78 2.729 -1.234 -8.866 1.00 0.00 H new ATOM 0 HD1 TRP A 78 2.239 0.307 -12.320 1.00 0.00 H new ATOM 0 HE1 TRP A 78 0.479 2.198 -12.188 1.00 0.00 H new ATOM 0 HE3 TRP A 78 1.841 0.595 -7.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -0.867 3.607 -10.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 0.296 2.241 -6.259 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -1.046 3.720 -7.695 1.00 0.00 H new ATOM 1265 N SER A 79 5.384 -1.507 -7.574 1.00 0.00 N ATOM 1266 CA SER A 79 6.105 -2.585 -6.927 1.00 0.00 C ATOM 1267 C SER A 79 5.176 -3.313 -5.980 1.00 0.00 C ATOM 1268 O SER A 79 4.443 -2.696 -5.207 1.00 0.00 O ATOM 1269 CB SER A 79 7.324 -2.048 -6.179 1.00 0.00 C ATOM 1270 OG SER A 79 8.086 -3.096 -5.605 1.00 0.00 O ATOM 0 H SER A 79 4.935 -0.851 -6.935 1.00 0.00 H new ATOM 0 HA SER A 79 6.461 -3.282 -7.686 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.949 -1.476 -6.864 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.999 -1.363 -5.396 1.00 0.00 H new ATOM 0 HG SER A 79 8.859 -2.719 -5.135 1.00 0.00 H new ATOM 1276 N THR A 80 5.201 -4.626 -6.064 1.00 0.00 N ATOM 1277 CA THR A 80 4.281 -5.456 -5.314 1.00 0.00 C ATOM 1278 C THR A 80 5.037 -6.436 -4.439 1.00 0.00 C ATOM 1279 O THR A 80 5.809 -7.258 -4.935 1.00 0.00 O ATOM 1280 CB THR A 80 3.346 -6.239 -6.254 1.00 0.00 C ATOM 1281 OG1 THR A 80 2.711 -5.343 -7.170 1.00 0.00 O ATOM 1282 CG2 THR A 80 2.283 -6.990 -5.468 1.00 0.00 C ATOM 0 H THR A 80 5.855 -5.146 -6.650 1.00 0.00 H new ATOM 0 HA THR A 80 3.682 -4.795 -4.688 1.00 0.00 H new ATOM 0 HB THR A 80 3.950 -6.962 -6.803 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.814 -5.122 -6.843 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.637 -7.534 -6.157 1.00 0.00 H new ATOM 0 HG22 THR A 80 2.763 -7.694 -4.788 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.686 -6.281 -4.894 1.00 0.00 H new ATOM 1290 N VAL A 81 4.816 -6.340 -3.144 1.00 0.00 N ATOM 1291 CA VAL A 81 5.424 -7.259 -2.208 1.00 0.00 C ATOM 1292 C VAL A 81 4.504 -8.449 -1.983 1.00 0.00 C ATOM 1293 O VAL A 81 3.467 -8.324 -1.331 1.00 0.00 O ATOM 1294 CB VAL A 81 5.728 -6.582 -0.853 1.00 0.00 C ATOM 1295 CG1 VAL A 81 6.424 -7.555 0.090 1.00 0.00 C ATOM 1296 CG2 VAL A 81 6.574 -5.333 -1.058 1.00 0.00 C ATOM 0 H VAL A 81 4.218 -5.633 -2.716 1.00 0.00 H new ATOM 0 HA VAL A 81 6.369 -7.591 -2.638 1.00 0.00 H new ATOM 0 HB VAL A 81 4.783 -6.285 -0.398 1.00 0.00 H new ATOM 0 HG11 VAL A 81 6.629 -7.059 1.038 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.780 -8.417 0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.362 -7.887 -0.356 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.778 -4.869 -0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.515 -5.605 -1.536 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.035 -4.629 -1.692 1.00 0.00 H new ATOM 1306 N TYR A 82 4.858 -9.581 -2.573 1.00 0.00 N ATOM 1307 CA TYR A 82 4.150 -10.825 -2.319 1.00 0.00 C ATOM 1308 C TYR A 82 4.617 -11.404 -0.995 1.00 0.00 C ATOM 1309 O TYR A 82 5.630 -12.104 -0.930 1.00 0.00 O ATOM 1310 CB TYR A 82 4.373 -11.832 -3.455 1.00 0.00 C ATOM 1311 CG TYR A 82 3.516 -11.579 -4.680 1.00 0.00 C ATOM 1312 CD1 TYR A 82 3.896 -10.664 -5.654 1.00 0.00 C ATOM 1313 CD2 TYR A 82 2.319 -12.261 -4.856 1.00 0.00 C ATOM 1314 CE1 TYR A 82 3.104 -10.435 -6.769 1.00 0.00 C ATOM 1315 CE2 TYR A 82 1.523 -12.039 -5.964 1.00 0.00 C ATOM 1316 CZ TYR A 82 1.917 -11.125 -6.917 1.00 0.00 C ATOM 1317 OH TYR A 82 1.118 -10.899 -8.023 1.00 0.00 O ATOM 0 H TYR A 82 5.632 -9.663 -3.232 1.00 0.00 H new ATOM 0 HA TYR A 82 3.081 -10.618 -2.270 1.00 0.00 H new ATOM 0 HB2 TYR A 82 5.423 -11.808 -3.747 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.169 -12.836 -3.082 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.823 -10.122 -5.541 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.004 -12.979 -4.113 1.00 0.00 H new ATOM 0 HE1 TYR A 82 3.414 -9.721 -7.518 1.00 0.00 H new ATOM 0 HE2 TYR A 82 0.596 -12.580 -6.082 1.00 0.00 H new ATOM 0 HH TYR A 82 0.624 -11.717 -8.242 1.00 0.00 H new ATOM 1327 N LEU A 83 3.891 -11.077 0.064 1.00 0.00 N ATOM 1328 CA LEU A 83 4.285 -11.463 1.406 1.00 0.00 C ATOM 1329 C LEU A 83 3.934 -12.918 1.697 1.00 0.00 C ATOM 1330 O LEU A 83 2.893 -13.228 2.275 1.00 0.00 O ATOM 1331 CB LEU A 83 3.673 -10.527 2.462 1.00 0.00 C ATOM 1332 CG LEU A 83 2.214 -10.116 2.240 1.00 0.00 C ATOM 1333 CD1 LEU A 83 1.496 -9.980 3.573 1.00 0.00 C ATOM 1334 CD2 LEU A 83 2.139 -8.800 1.486 1.00 0.00 C ATOM 0 H LEU A 83 3.023 -10.543 0.017 1.00 0.00 H new ATOM 0 HA LEU A 83 5.369 -11.367 1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.747 -11.013 3.435 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.280 -9.623 2.511 1.00 0.00 H new ATOM 0 HG LEU A 83 1.728 -10.892 1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.460 -9.688 3.400 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.521 -10.935 4.099 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.992 -9.220 4.177 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.095 -8.525 1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.641 -8.022 2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.627 -8.907 0.517 1.00 0.00 H new ATOM 1346 N ASP A 84 4.811 -13.805 1.255 1.00 0.00 N ATOM 1347 CA ASP A 84 4.687 -15.229 1.545 1.00 0.00 C ATOM 1348 C ASP A 84 5.412 -15.548 2.845 1.00 0.00 C ATOM 1349 O ASP A 84 4.989 -16.403 3.626 1.00 0.00 O ATOM 1350 CB ASP A 84 5.270 -16.048 0.390 1.00 0.00 C ATOM 1351 CG ASP A 84 5.297 -17.537 0.668 1.00 0.00 C ATOM 1352 OD1 ASP A 84 4.312 -18.227 0.340 1.00 0.00 O ATOM 1353 OD2 ASP A 84 6.311 -18.030 1.199 1.00 0.00 O ATOM 0 H ASP A 84 5.624 -13.563 0.689 1.00 0.00 H new ATOM 0 HA ASP A 84 3.634 -15.488 1.656 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.683 -15.864 -0.510 1.00 0.00 H new ATOM 0 HB3 ASP A 84 6.284 -15.705 0.185 1.00 0.00 H new ATOM 1358 N GLY A 85 6.509 -14.843 3.065 1.00 0.00 N ATOM 1359 CA GLY A 85 7.259 -14.981 4.294 1.00 0.00 C ATOM 1360 C GLY A 85 8.309 -13.900 4.417 1.00 0.00 C ATOM 1361 O GLY A 85 9.377 -14.115 4.993 1.00 0.00 O ATOM 0 H GLY A 85 6.897 -14.169 2.405 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.580 -14.931 5.145 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.736 -15.961 4.324 1.00 0.00 H new ATOM 1365 N SER A 86 7.999 -12.735 3.870 1.00 0.00 N ATOM 1366 CA SER A 86 8.941 -11.629 3.818 1.00 0.00 C ATOM 1367 C SER A 86 8.849 -10.751 5.067 1.00 0.00 C ATOM 1368 O SER A 86 9.797 -10.670 5.849 1.00 0.00 O ATOM 1369 CB SER A 86 8.667 -10.806 2.561 1.00 0.00 C ATOM 1370 OG SER A 86 7.525 -11.305 1.881 1.00 0.00 O ATOM 0 H SER A 86 7.092 -12.530 3.452 1.00 0.00 H new ATOM 0 HA SER A 86 9.954 -12.031 3.785 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.510 -9.761 2.830 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.534 -10.839 1.901 1.00 0.00 H new ATOM 0 HG SER A 86 7.791 -12.043 1.294 1.00 0.00 H new ATOM 1376 N LEU A 87 7.705 -10.103 5.256 1.00 0.00 N ATOM 1377 CA LEU A 87 7.533 -9.179 6.370 1.00 0.00 C ATOM 1378 C LEU A 87 6.533 -9.728 7.381 1.00 0.00 C ATOM 1379 O LEU A 87 5.513 -10.305 7.000 1.00 0.00 O ATOM 1380 CB LEU A 87 7.055 -7.801 5.884 1.00 0.00 C ATOM 1381 CG LEU A 87 8.021 -7.027 4.971 1.00 0.00 C ATOM 1382 CD1 LEU A 87 9.458 -7.155 5.458 1.00 0.00 C ATOM 1383 CD2 LEU A 87 7.895 -7.482 3.524 1.00 0.00 C ATOM 0 H LEU A 87 6.887 -10.200 4.655 1.00 0.00 H new ATOM 0 HA LEU A 87 8.506 -9.067 6.848 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.113 -7.934 5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.843 -7.185 6.758 1.00 0.00 H new ATOM 0 HG LEU A 87 7.744 -5.974 5.015 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.118 -6.598 4.793 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.537 -6.753 6.468 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.749 -8.205 5.461 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.590 -6.917 2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.128 -8.545 3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.876 -7.311 3.176 1.00 0.00 H new ATOM 1395 N PRO A 88 6.825 -9.577 8.682 1.00 0.00 N ATOM 1396 CA PRO A 88 5.913 -9.973 9.755 1.00 0.00 C ATOM 1397 C PRO A 88 4.794 -8.953 9.975 1.00 0.00 C ATOM 1398 O PRO A 88 4.804 -7.873 9.378 1.00 0.00 O ATOM 1399 CB PRO A 88 6.813 -10.047 10.999 1.00 0.00 C ATOM 1400 CG PRO A 88 8.204 -9.766 10.528 1.00 0.00 C ATOM 1401 CD PRO A 88 8.074 -9.037 9.221 1.00 0.00 C ATOM 0 HA PRO A 88 5.409 -10.911 9.523 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.502 -9.319 11.748 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.752 -11.030 11.465 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.745 -9.162 11.256 1.00 0.00 H new ATOM 0 HG3 PRO A 88 8.765 -10.692 10.401 1.00 0.00 H new ATOM 0 HD2 PRO A 88 8.022 -7.957 9.362 1.00 0.00 H new ATOM 0 HD3 PRO A 88 8.919 -9.233 8.561 1.00 0.00 H new ATOM 1409 N ASP A 89 3.856 -9.302 10.857 1.00 0.00 N ATOM 1410 CA ASP A 89 2.684 -8.470 11.161 1.00 0.00 C ATOM 1411 C ASP A 89 3.074 -7.029 11.461 1.00 0.00 C ATOM 1412 O ASP A 89 2.590 -6.101 10.816 1.00 0.00 O ATOM 1413 CB ASP A 89 1.916 -9.027 12.369 1.00 0.00 C ATOM 1414 CG ASP A 89 1.242 -10.355 12.095 1.00 0.00 C ATOM 1415 OD1 ASP A 89 1.951 -11.373 11.939 1.00 0.00 O ATOM 1416 OD2 ASP A 89 -0.003 -10.396 12.048 1.00 0.00 O ATOM 0 H ASP A 89 3.886 -10.174 11.385 1.00 0.00 H new ATOM 0 HA ASP A 89 2.051 -8.490 10.274 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.605 -9.144 13.205 1.00 0.00 H new ATOM 0 HB3 ASP A 89 1.162 -8.302 12.676 1.00 0.00 H new ATOM 1421 N SER A 90 3.961 -6.862 12.438 1.00 0.00 N ATOM 1422 CA SER A 90 4.354 -5.543 12.926 1.00 0.00 C ATOM 1423 C SER A 90 4.942 -4.687 11.809 1.00 0.00 C ATOM 1424 O SER A 90 4.740 -3.473 11.767 1.00 0.00 O ATOM 1425 CB SER A 90 5.374 -5.698 14.057 1.00 0.00 C ATOM 1426 OG SER A 90 4.921 -6.636 15.019 1.00 0.00 O ATOM 0 H SER A 90 4.427 -7.635 12.913 1.00 0.00 H new ATOM 0 HA SER A 90 3.463 -5.038 13.299 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.331 -6.023 13.648 1.00 0.00 H new ATOM 0 HB3 SER A 90 5.543 -4.733 14.535 1.00 0.00 H new ATOM 0 HG SER A 90 5.588 -6.721 15.732 1.00 0.00 H new ATOM 1432 N GLN A 91 5.640 -5.333 10.887 1.00 0.00 N ATOM 1433 CA GLN A 91 6.308 -4.630 9.806 1.00 0.00 C ATOM 1434 C GLN A 91 5.284 -4.062 8.828 1.00 0.00 C ATOM 1435 O GLN A 91 5.491 -2.996 8.245 1.00 0.00 O ATOM 1436 CB GLN A 91 7.266 -5.572 9.078 1.00 0.00 C ATOM 1437 CG GLN A 91 8.214 -4.862 8.124 1.00 0.00 C ATOM 1438 CD GLN A 91 9.137 -3.896 8.835 1.00 0.00 C ATOM 1439 OE1 GLN A 91 10.224 -4.266 9.277 1.00 0.00 O ATOM 1440 NE2 GLN A 91 8.715 -2.648 8.945 1.00 0.00 N ATOM 0 H GLN A 91 5.758 -6.346 10.867 1.00 0.00 H new ATOM 0 HA GLN A 91 6.880 -3.804 10.229 1.00 0.00 H new ATOM 0 HB2 GLN A 91 7.851 -6.122 9.815 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.685 -6.306 8.520 1.00 0.00 H new ATOM 0 HG2 GLN A 91 8.810 -5.603 7.591 1.00 0.00 H new ATOM 0 HG3 GLN A 91 7.634 -4.321 7.376 1.00 0.00 H new ATOM 0 HE21 GLN A 91 7.807 -2.381 8.565 1.00 0.00 H new ATOM 0 HE22 GLN A 91 9.298 -1.952 9.410 1.00 0.00 H new ATOM 1449 N ILE A 92 4.173 -4.772 8.669 1.00 0.00 N ATOM 1450 CA ILE A 92 3.127 -4.366 7.740 1.00 0.00 C ATOM 1451 C ILE A 92 2.453 -3.075 8.208 1.00 0.00 C ATOM 1452 O ILE A 92 2.208 -2.173 7.407 1.00 0.00 O ATOM 1453 CB ILE A 92 2.066 -5.474 7.561 1.00 0.00 C ATOM 1454 CG1 ILE A 92 2.737 -6.791 7.157 1.00 0.00 C ATOM 1455 CG2 ILE A 92 1.042 -5.060 6.513 1.00 0.00 C ATOM 1456 CD1 ILE A 92 1.777 -7.957 7.038 1.00 0.00 C ATOM 0 H ILE A 92 3.974 -5.635 9.174 1.00 0.00 H new ATOM 0 HA ILE A 92 3.604 -4.189 6.776 1.00 0.00 H new ATOM 0 HB ILE A 92 1.552 -5.621 8.511 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.244 -6.651 6.202 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.503 -7.037 7.892 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.300 -5.850 6.397 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.548 -4.142 6.830 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.544 -4.891 5.560 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.327 -8.853 6.749 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.288 -8.125 7.998 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.025 -7.733 6.282 1.00 0.00 H new ATOM 1468 N TYR A 93 2.181 -2.981 9.509 1.00 0.00 N ATOM 1469 CA TYR A 93 1.582 -1.772 10.080 1.00 0.00 C ATOM 1470 C TYR A 93 2.462 -0.564 9.786 1.00 0.00 C ATOM 1471 O TYR A 93 1.975 0.516 9.452 1.00 0.00 O ATOM 1472 CB TYR A 93 1.409 -1.901 11.597 1.00 0.00 C ATOM 1473 CG TYR A 93 0.454 -2.988 12.038 1.00 0.00 C ATOM 1474 CD1 TYR A 93 -0.921 -2.814 11.942 1.00 0.00 C ATOM 1475 CD2 TYR A 93 0.927 -4.184 12.564 1.00 0.00 C ATOM 1476 CE1 TYR A 93 -1.796 -3.799 12.360 1.00 0.00 C ATOM 1477 CE2 TYR A 93 0.059 -5.175 12.979 1.00 0.00 C ATOM 1478 CZ TYR A 93 -1.300 -4.979 12.875 1.00 0.00 C ATOM 1479 OH TYR A 93 -2.168 -5.962 13.288 1.00 0.00 O ATOM 0 H TYR A 93 2.364 -3.722 10.185 1.00 0.00 H new ATOM 0 HA TYR A 93 0.601 -1.641 9.623 1.00 0.00 H new ATOM 0 HB2 TYR A 93 2.385 -2.091 12.045 1.00 0.00 H new ATOM 0 HB3 TYR A 93 1.058 -0.947 11.991 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -1.313 -1.894 11.534 1.00 0.00 H new ATOM 0 HD2 TYR A 93 1.992 -4.341 12.650 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.862 -3.646 12.284 1.00 0.00 H new ATOM 0 HE2 TYR A 93 0.444 -6.099 13.383 1.00 0.00 H new ATOM 0 HH TYR A 93 -2.619 -6.349 12.509 1.00 0.00 H new ATOM 1489 N TYR A 94 3.768 -0.770 9.907 1.00 0.00 N ATOM 1490 CA TYR A 94 4.748 0.277 9.654 1.00 0.00 C ATOM 1491 C TYR A 94 4.730 0.698 8.186 1.00 0.00 C ATOM 1492 O TYR A 94 4.785 1.884 7.874 1.00 0.00 O ATOM 1493 CB TYR A 94 6.140 -0.222 10.057 1.00 0.00 C ATOM 1494 CG TYR A 94 7.265 0.769 9.839 1.00 0.00 C ATOM 1495 CD1 TYR A 94 7.439 1.859 10.684 1.00 0.00 C ATOM 1496 CD2 TYR A 94 8.170 0.591 8.804 1.00 0.00 C ATOM 1497 CE1 TYR A 94 8.489 2.741 10.501 1.00 0.00 C ATOM 1498 CE2 TYR A 94 9.218 1.470 8.611 1.00 0.00 C ATOM 1499 CZ TYR A 94 9.375 2.543 9.461 1.00 0.00 C ATOM 1500 OH TYR A 94 10.433 3.413 9.281 1.00 0.00 O ATOM 0 H TYR A 94 4.175 -1.664 10.182 1.00 0.00 H new ATOM 0 HA TYR A 94 4.494 1.153 10.251 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.119 -0.498 11.111 1.00 0.00 H new ATOM 0 HB3 TYR A 94 6.361 -1.129 9.494 1.00 0.00 H new ATOM 0 HD1 TYR A 94 6.744 2.020 11.495 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.054 -0.250 8.137 1.00 0.00 H new ATOM 0 HE1 TYR A 94 8.615 3.581 11.169 1.00 0.00 H new ATOM 0 HE2 TYR A 94 9.911 1.317 7.797 1.00 0.00 H new ATOM 0 HH TYR A 94 10.951 3.140 8.496 1.00 0.00 H new ATOM 1510 N LEU A 95 4.630 -0.279 7.292 1.00 0.00 N ATOM 1511 CA LEU A 95 4.641 -0.012 5.856 1.00 0.00 C ATOM 1512 C LEU A 95 3.377 0.720 5.414 1.00 0.00 C ATOM 1513 O LEU A 95 3.444 1.680 4.644 1.00 0.00 O ATOM 1514 CB LEU A 95 4.788 -1.319 5.073 1.00 0.00 C ATOM 1515 CG LEU A 95 6.070 -2.105 5.349 1.00 0.00 C ATOM 1516 CD1 LEU A 95 6.084 -3.396 4.550 1.00 0.00 C ATOM 1517 CD2 LEU A 95 7.293 -1.265 5.019 1.00 0.00 C ATOM 0 H LEU A 95 4.540 -1.265 7.536 1.00 0.00 H new ATOM 0 HA LEU A 95 5.495 0.631 5.646 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.934 -1.957 5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 95 4.742 -1.092 4.008 1.00 0.00 H new ATOM 0 HG LEU A 95 6.098 -2.354 6.410 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.004 -3.943 4.758 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.226 -4.007 4.831 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.032 -3.166 3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.196 -1.841 5.222 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.270 -0.986 3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.292 -0.364 5.633 1.00 0.00 H new ATOM 1529 N VAL A 96 2.229 0.269 5.906 1.00 0.00 N ATOM 1530 CA VAL A 96 0.948 0.864 5.534 1.00 0.00 C ATOM 1531 C VAL A 96 0.838 2.296 6.050 1.00 0.00 C ATOM 1532 O VAL A 96 0.376 3.191 5.341 1.00 0.00 O ATOM 1533 CB VAL A 96 -0.238 0.031 6.065 1.00 0.00 C ATOM 1534 CG1 VAL A 96 -1.565 0.698 5.738 1.00 0.00 C ATOM 1535 CG2 VAL A 96 -0.200 -1.374 5.487 1.00 0.00 C ATOM 0 H VAL A 96 2.158 -0.507 6.564 1.00 0.00 H new ATOM 0 HA VAL A 96 0.905 0.874 4.445 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.147 -0.031 7.149 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.383 0.089 6.124 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.599 1.685 6.198 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.666 0.798 4.657 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.043 -1.948 5.871 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.262 -1.322 4.400 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.732 -1.861 5.775 1.00 0.00 H new ATOM 1545 N ASP A 97 1.283 2.516 7.278 1.00 0.00 N ATOM 1546 CA ASP A 97 1.233 3.846 7.866 1.00 0.00 C ATOM 1547 C ASP A 97 2.208 4.780 7.162 1.00 0.00 C ATOM 1548 O ASP A 97 1.907 5.952 6.951 1.00 0.00 O ATOM 1549 CB ASP A 97 1.533 3.798 9.363 1.00 0.00 C ATOM 1550 CG ASP A 97 0.367 4.297 10.195 1.00 0.00 C ATOM 1551 OD1 ASP A 97 0.159 5.526 10.262 1.00 0.00 O ATOM 1552 OD2 ASP A 97 -0.355 3.461 10.787 1.00 0.00 O ATOM 0 H ASP A 97 1.680 1.797 7.883 1.00 0.00 H new ATOM 0 HA ASP A 97 0.222 4.231 7.734 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.772 2.774 9.652 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.414 4.403 9.575 1.00 0.00 H new ATOM 1557 N ALA A 98 3.366 4.248 6.782 1.00 0.00 N ATOM 1558 CA ALA A 98 4.376 5.029 6.077 1.00 0.00 C ATOM 1559 C ALA A 98 3.883 5.453 4.697 1.00 0.00 C ATOM 1560 O ALA A 98 4.018 6.615 4.310 1.00 0.00 O ATOM 1561 CB ALA A 98 5.666 4.236 5.948 1.00 0.00 C ATOM 0 H ALA A 98 3.628 3.277 6.951 1.00 0.00 H new ATOM 0 HA ALA A 98 4.569 5.929 6.661 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.409 4.833 5.420 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.040 3.986 6.941 1.00 0.00 H new ATOM 0 HB3 ALA A 98 5.475 3.319 5.391 1.00 0.00 H new ATOM 1567 N SER A 99 3.308 4.508 3.960 1.00 0.00 N ATOM 1568 CA SER A 99 2.812 4.788 2.621 1.00 0.00 C ATOM 1569 C SER A 99 1.653 5.784 2.664 1.00 0.00 C ATOM 1570 O SER A 99 1.472 6.581 1.743 1.00 0.00 O ATOM 1571 CB SER A 99 2.397 3.489 1.928 1.00 0.00 C ATOM 1572 OG SER A 99 1.650 2.662 2.798 1.00 0.00 O ATOM 0 H SER A 99 3.175 3.545 4.268 1.00 0.00 H new ATOM 0 HA SER A 99 3.616 5.243 2.043 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.804 3.719 1.043 1.00 0.00 H new ATOM 0 HB3 SER A 99 3.285 2.956 1.588 1.00 0.00 H new ATOM 0 HG SER A 99 2.260 2.171 3.387 1.00 0.00 H new ATOM 1578 N TYR A 100 0.880 5.739 3.741 1.00 0.00 N ATOM 1579 CA TYR A 100 -0.196 6.698 3.953 1.00 0.00 C ATOM 1580 C TYR A 100 0.378 8.061 4.342 1.00 0.00 C ATOM 1581 O TYR A 100 -0.054 9.096 3.837 1.00 0.00 O ATOM 1582 CB TYR A 100 -1.147 6.186 5.042 1.00 0.00 C ATOM 1583 CG TYR A 100 -2.336 7.084 5.298 1.00 0.00 C ATOM 1584 CD1 TYR A 100 -3.377 7.168 4.383 1.00 0.00 C ATOM 1585 CD2 TYR A 100 -2.416 7.846 6.457 1.00 0.00 C ATOM 1586 CE1 TYR A 100 -4.467 7.984 4.616 1.00 0.00 C ATOM 1587 CE2 TYR A 100 -3.503 8.663 6.697 1.00 0.00 C ATOM 1588 CZ TYR A 100 -4.524 8.730 5.775 1.00 0.00 C ATOM 1589 OH TYR A 100 -5.610 9.539 6.012 1.00 0.00 O ATOM 0 H TYR A 100 0.979 5.046 4.483 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.756 6.812 3.025 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -1.507 5.197 4.759 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.588 6.068 5.970 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -3.334 6.586 3.474 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.616 7.799 7.181 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -5.270 8.038 3.895 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -3.552 9.247 7.604 1.00 0.00 H new ATOM 0 HH TYR A 100 -5.496 9.996 6.872 1.00 0.00 H new ATOM 1599 N GLN A 101 1.369 8.043 5.231 1.00 0.00 N ATOM 1600 CA GLN A 101 1.988 9.263 5.745 1.00 0.00 C ATOM 1601 C GLN A 101 2.604 10.083 4.609 1.00 0.00 C ATOM 1602 O GLN A 101 2.418 11.302 4.540 1.00 0.00 O ATOM 1603 CB GLN A 101 3.070 8.901 6.770 1.00 0.00 C ATOM 1604 CG GLN A 101 3.149 9.828 7.978 1.00 0.00 C ATOM 1605 CD GLN A 101 3.424 11.275 7.619 1.00 0.00 C ATOM 1606 OE1 GLN A 101 4.574 11.686 7.480 1.00 0.00 O ATOM 1607 NE2 GLN A 101 2.371 12.065 7.499 1.00 0.00 N ATOM 0 H GLN A 101 1.765 7.185 5.615 1.00 0.00 H new ATOM 0 HA GLN A 101 1.217 9.866 6.225 1.00 0.00 H new ATOM 0 HB2 GLN A 101 2.891 7.885 7.122 1.00 0.00 H new ATOM 0 HB3 GLN A 101 4.038 8.899 6.269 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.211 9.772 8.530 1.00 0.00 H new ATOM 0 HG3 GLN A 101 3.934 9.473 8.646 1.00 0.00 H new ATOM 0 HE21 GLN A 101 1.432 11.686 7.622 1.00 0.00 H new ATOM 0 HE22 GLN A 101 2.497 13.054 7.284 1.00 0.00 H new ATOM 1616 N GLN A 102 3.321 9.406 3.709 1.00 0.00 N ATOM 1617 CA GLN A 102 3.975 10.076 2.584 1.00 0.00 C ATOM 1618 C GLN A 102 2.945 10.760 1.688 1.00 0.00 C ATOM 1619 O GLN A 102 3.222 11.797 1.091 1.00 0.00 O ATOM 1620 CB GLN A 102 4.833 9.094 1.769 1.00 0.00 C ATOM 1621 CG GLN A 102 4.037 8.065 0.985 1.00 0.00 C ATOM 1622 CD GLN A 102 4.914 7.097 0.211 1.00 0.00 C ATOM 1623 OE1 GLN A 102 4.410 5.892 0.009 1.00 0.00 O flip ATOM 1624 NE2 GLN A 102 6.022 7.432 -0.215 1.00 0.00 N flip ATOM 0 H GLN A 102 3.463 8.396 3.738 1.00 0.00 H new ATOM 0 HA GLN A 102 4.638 10.839 2.993 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.453 9.662 1.075 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.509 8.573 2.447 1.00 0.00 H new ATOM 0 HG2 GLN A 102 3.405 7.503 1.672 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.374 8.580 0.290 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.374 8.373 -0.037 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.586 6.768 -0.746 1.00 0.00 H new ATOM 1633 N ALA A 103 1.754 10.183 1.607 1.00 0.00 N ATOM 1634 CA ALA A 103 0.691 10.735 0.783 1.00 0.00 C ATOM 1635 C ALA A 103 0.072 11.972 1.430 1.00 0.00 C ATOM 1636 O ALA A 103 -0.412 12.869 0.740 1.00 0.00 O ATOM 1637 CB ALA A 103 -0.374 9.680 0.533 1.00 0.00 C ATOM 0 H ALA A 103 1.500 9.329 2.105 1.00 0.00 H new ATOM 0 HA ALA A 103 1.124 11.039 -0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.166 10.102 -0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 103 0.071 8.828 0.020 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.792 9.352 1.485 1.00 0.00 H new ATOM 1643 N VAL A 104 0.106 12.019 2.758 1.00 0.00 N ATOM 1644 CA VAL A 104 -0.527 13.100 3.509 1.00 0.00 C ATOM 1645 C VAL A 104 0.213 14.421 3.332 1.00 0.00 C ATOM 1646 O VAL A 104 -0.411 15.469 3.157 1.00 0.00 O ATOM 1647 CB VAL A 104 -0.624 12.765 5.016 1.00 0.00 C ATOM 1648 CG1 VAL A 104 -1.188 13.937 5.804 1.00 0.00 C ATOM 1649 CG2 VAL A 104 -1.474 11.525 5.232 1.00 0.00 C ATOM 0 H VAL A 104 0.567 11.319 3.339 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.534 13.206 3.105 1.00 0.00 H new ATOM 0 HB VAL A 104 0.384 12.567 5.381 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.244 13.672 6.860 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -0.539 14.804 5.682 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -2.186 14.176 5.436 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -1.531 11.304 6.298 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -2.477 11.699 4.843 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.024 10.680 4.710 1.00 0.00 H new ATOM 1659 N ASN A 105 1.540 14.376 3.361 1.00 0.00 N ATOM 1660 CA ASN A 105 2.336 15.600 3.260 1.00 0.00 C ATOM 1661 C ASN A 105 2.330 16.143 1.832 1.00 0.00 C ATOM 1662 O ASN A 105 2.674 17.302 1.597 1.00 0.00 O ATOM 1663 CB ASN A 105 3.778 15.385 3.749 1.00 0.00 C ATOM 1664 CG ASN A 105 4.578 14.424 2.887 1.00 0.00 C ATOM 1665 OD1 ASN A 105 4.641 13.170 3.301 1.00 0.00 O flip ATOM 1666 ND2 ASN A 105 5.166 14.815 1.881 1.00 0.00 N flip ATOM 0 H ASN A 105 2.085 13.518 3.452 1.00 0.00 H new ATOM 0 HA ASN A 105 1.872 16.339 3.912 1.00 0.00 H new ATOM 0 HB2 ASN A 105 4.290 16.347 3.777 1.00 0.00 H new ATOM 0 HB3 ASN A 105 3.753 15.008 4.771 1.00 0.00 H new ATOM 0 HD21 ASN A 105 5.092 15.791 1.594 1.00 0.00 H new ATOM 0 HD22 ASN A 105 5.728 14.163 1.333 1.00 0.00 H new ATOM 1673 N LEU A 106 1.929 15.305 0.885 1.00 0.00 N ATOM 1674 CA LEU A 106 1.856 15.709 -0.513 1.00 0.00 C ATOM 1675 C LEU A 106 0.505 16.346 -0.828 1.00 0.00 C ATOM 1676 O LEU A 106 0.285 16.849 -1.932 1.00 0.00 O ATOM 1677 CB LEU A 106 2.092 14.505 -1.430 1.00 0.00 C ATOM 1678 CG LEU A 106 3.478 13.867 -1.328 1.00 0.00 C ATOM 1679 CD1 LEU A 106 3.577 12.667 -2.257 1.00 0.00 C ATOM 1680 CD2 LEU A 106 4.565 14.883 -1.649 1.00 0.00 C ATOM 0 H LEU A 106 1.649 14.340 1.060 1.00 0.00 H new ATOM 0 HA LEU A 106 2.636 16.449 -0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.343 13.746 -1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.929 14.817 -2.461 1.00 0.00 H new ATOM 0 HG LEU A 106 3.625 13.526 -0.303 1.00 0.00 H new ATOM 0 HD11 LEU A 106 4.569 12.223 -2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.825 11.929 -1.979 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.408 12.988 -3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.542 14.407 -1.570 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.425 15.258 -2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.507 15.712 -0.944 1.00 0.00 H new ATOM 1692 N LEU A 107 -0.403 16.321 0.140 1.00 0.00 N ATOM 1693 CA LEU A 107 -1.731 16.888 -0.053 1.00 0.00 C ATOM 1694 C LEU A 107 -1.730 18.393 0.204 1.00 0.00 C ATOM 1695 O LEU A 107 -1.076 18.874 1.129 1.00 0.00 O ATOM 1696 CB LEU A 107 -2.747 16.191 0.854 1.00 0.00 C ATOM 1697 CG LEU A 107 -3.006 14.722 0.519 1.00 0.00 C ATOM 1698 CD1 LEU A 107 -3.971 14.110 1.518 1.00 0.00 C ATOM 1699 CD2 LEU A 107 -3.545 14.585 -0.897 1.00 0.00 C ATOM 0 H LEU A 107 -0.245 15.916 1.063 1.00 0.00 H new ATOM 0 HA LEU A 107 -2.019 16.724 -1.091 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -2.398 16.258 1.885 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.691 16.733 0.801 1.00 0.00 H new ATOM 0 HG LEU A 107 -2.060 14.183 0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.143 13.064 1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -3.547 14.175 2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.917 14.651 1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.724 13.533 -1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.480 15.138 -0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.818 14.986 -1.603 1.00 0.00 H new ATOM 1711 N PRO A 108 -2.452 19.157 -0.635 1.00 0.00 N ATOM 1712 CA PRO A 108 -2.543 20.619 -0.515 1.00 0.00 C ATOM 1713 C PRO A 108 -3.274 21.074 0.752 1.00 0.00 C ATOM 1714 O PRO A 108 -3.740 20.253 1.549 1.00 0.00 O ATOM 1715 CB PRO A 108 -3.329 21.043 -1.764 1.00 0.00 C ATOM 1716 CG PRO A 108 -3.295 19.865 -2.676 1.00 0.00 C ATOM 1717 CD PRO A 108 -3.216 18.661 -1.788 1.00 0.00 C ATOM 0 HA PRO A 108 -1.553 21.069 -0.442 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -4.354 21.313 -1.510 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -2.877 21.916 -2.234 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -4.186 19.830 -3.303 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -2.436 19.914 -3.345 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -4.205 18.308 -1.496 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -2.712 17.828 -2.279 1.00 0.00 H new ATOM 1725 N GLU A 109 -3.396 22.394 0.901 1.00 0.00 N ATOM 1726 CA GLU A 109 -3.951 23.012 2.106 1.00 0.00 C ATOM 1727 C GLU A 109 -5.332 22.453 2.445 1.00 0.00 C ATOM 1728 O GLU A 109 -5.537 21.916 3.533 1.00 0.00 O ATOM 1729 CB GLU A 109 -4.037 24.529 1.914 1.00 0.00 C ATOM 1730 CG GLU A 109 -4.347 25.299 3.189 1.00 0.00 C ATOM 1731 CD GLU A 109 -3.254 25.165 4.230 1.00 0.00 C ATOM 1732 OE1 GLU A 109 -2.148 25.697 4.005 1.00 0.00 O ATOM 1733 OE2 GLU A 109 -3.500 24.539 5.281 1.00 0.00 O ATOM 0 H GLU A 109 -3.112 23.066 0.188 1.00 0.00 H new ATOM 0 HA GLU A 109 -3.286 22.780 2.938 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -3.092 24.887 1.507 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -4.807 24.748 1.174 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -4.487 26.353 2.948 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -5.288 24.940 3.607 1.00 0.00 H new ATOM 1740 N GLU A 110 -6.264 22.570 1.501 1.00 0.00 N ATOM 1741 CA GLU A 110 -7.646 22.146 1.698 1.00 0.00 C ATOM 1742 C GLU A 110 -7.727 20.708 2.195 1.00 0.00 C ATOM 1743 O GLU A 110 -8.441 20.399 3.150 1.00 0.00 O ATOM 1744 CB GLU A 110 -8.397 22.255 0.381 1.00 0.00 C ATOM 1745 CG GLU A 110 -9.839 21.810 0.469 1.00 0.00 C ATOM 1746 CD GLU A 110 -10.395 21.395 -0.872 1.00 0.00 C ATOM 1747 OE1 GLU A 110 -10.939 22.258 -1.590 1.00 0.00 O ATOM 1748 OE2 GLU A 110 -10.287 20.200 -1.219 1.00 0.00 O ATOM 0 H GLU A 110 -6.080 22.962 0.577 1.00 0.00 H new ATOM 0 HA GLU A 110 -8.092 22.795 2.452 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -8.365 23.289 0.038 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.885 21.654 -0.371 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.917 20.976 1.166 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -10.443 22.622 0.875 1.00 0.00 H new ATOM 1755 N LYS A 111 -6.988 19.839 1.532 1.00 0.00 N ATOM 1756 CA LYS A 111 -6.991 18.419 1.848 1.00 0.00 C ATOM 1757 C LYS A 111 -6.479 18.181 3.262 1.00 0.00 C ATOM 1758 O LYS A 111 -7.044 17.395 4.024 1.00 0.00 O ATOM 1759 CB LYS A 111 -6.135 17.652 0.839 1.00 0.00 C ATOM 1760 CG LYS A 111 -6.778 17.501 -0.539 1.00 0.00 C ATOM 1761 CD LYS A 111 -6.847 18.823 -1.297 1.00 0.00 C ATOM 1762 CE LYS A 111 -7.518 18.674 -2.657 1.00 0.00 C ATOM 1763 NZ LYS A 111 -8.966 18.346 -2.543 1.00 0.00 N ATOM 0 H LYS A 111 -6.370 20.094 0.762 1.00 0.00 H new ATOM 0 HA LYS A 111 -8.017 18.055 1.789 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -5.179 18.163 0.728 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -5.922 16.661 1.239 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -6.210 16.779 -1.125 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -7.784 17.098 -0.425 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -7.395 19.553 -0.701 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -5.839 19.215 -1.432 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -7.401 19.600 -3.220 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -7.014 17.891 -3.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -9.462 18.660 -3.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -9.082 17.318 -2.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -9.367 18.830 -1.715 1.00 0.00 H new ATOM 1777 N ARG A 112 -5.410 18.879 3.601 1.00 0.00 N ATOM 1778 CA ARG A 112 -4.828 18.812 4.938 1.00 0.00 C ATOM 1779 C ARG A 112 -5.790 19.318 6.016 1.00 0.00 C ATOM 1780 O ARG A 112 -5.704 18.890 7.165 1.00 0.00 O ATOM 1781 CB ARG A 112 -3.518 19.600 4.991 1.00 0.00 C ATOM 1782 CG ARG A 112 -2.289 18.750 4.709 1.00 0.00 C ATOM 1783 CD ARG A 112 -1.017 19.581 4.744 1.00 0.00 C ATOM 1784 NE ARG A 112 0.163 18.770 5.045 1.00 0.00 N ATOM 1785 CZ ARG A 112 1.418 19.156 4.818 1.00 0.00 C ATOM 1786 NH1 ARG A 112 1.666 20.274 4.147 1.00 0.00 N ATOM 1787 NH2 ARG A 112 2.421 18.395 5.241 1.00 0.00 N ATOM 0 H ARG A 112 -4.920 19.507 2.964 1.00 0.00 H new ATOM 0 HA ARG A 112 -4.627 17.761 5.147 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -3.562 20.413 4.266 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -3.417 20.056 5.976 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -2.222 17.949 5.446 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -2.389 18.277 3.732 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.881 20.075 3.782 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -1.118 20.366 5.494 1.00 0.00 H new ATOM 0 HE ARG A 112 0.015 17.848 5.456 1.00 0.00 H new ATOM 0 HH11 ARG A 112 0.894 20.844 3.802 1.00 0.00 H new ATOM 0 HH12 ARG A 112 2.629 20.564 3.977 1.00 0.00 H new ATOM 0 HH21 ARG A 112 2.227 17.524 5.735 1.00 0.00 H new ATOM 0 HH22 ARG A 112 3.385 18.682 5.072 1.00 0.00 H new ATOM 1801 N LYS A 113 -6.698 20.225 5.657 1.00 0.00 N ATOM 1802 CA LYS A 113 -7.680 20.735 6.607 1.00 0.00 C ATOM 1803 C LYS A 113 -8.557 19.596 7.113 1.00 0.00 C ATOM 1804 O LYS A 113 -8.732 19.414 8.318 1.00 0.00 O ATOM 1805 CB LYS A 113 -8.570 21.794 5.949 1.00 0.00 C ATOM 1806 CG LYS A 113 -7.833 22.887 5.180 1.00 0.00 C ATOM 1807 CD LYS A 113 -7.171 23.931 6.073 1.00 0.00 C ATOM 1808 CE LYS A 113 -5.969 23.384 6.822 1.00 0.00 C ATOM 1809 NZ LYS A 113 -5.145 24.472 7.407 1.00 0.00 N ATOM 0 H LYS A 113 -6.772 20.619 4.719 1.00 0.00 H new ATOM 0 HA LYS A 113 -7.142 21.187 7.441 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -9.256 21.293 5.266 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -9.177 22.265 6.722 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -7.072 22.425 4.552 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -8.536 23.386 4.514 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -6.859 24.779 5.464 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -7.901 24.305 6.790 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -6.307 22.717 7.615 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -5.358 22.789 6.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -4.792 24.177 8.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -4.340 24.674 6.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -5.725 25.329 7.512 1.00 0.00 H new ATOM 1823 N LEU A 114 -9.083 18.823 6.168 1.00 0.00 N ATOM 1824 CA LEU A 114 -9.964 17.710 6.461 1.00 0.00 C ATOM 1825 C LEU A 114 -9.274 16.666 7.330 1.00 0.00 C ATOM 1826 O LEU A 114 -9.862 16.135 8.270 1.00 0.00 O ATOM 1827 CB LEU A 114 -10.397 17.074 5.146 1.00 0.00 C ATOM 1828 CG LEU A 114 -11.269 17.952 4.249 1.00 0.00 C ATOM 1829 CD1 LEU A 114 -11.526 17.263 2.917 1.00 0.00 C ATOM 1830 CD2 LEU A 114 -12.583 18.279 4.941 1.00 0.00 C ATOM 0 H LEU A 114 -8.906 18.956 5.172 1.00 0.00 H new ATOM 0 HA LEU A 114 -10.828 18.082 7.012 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -9.505 16.788 4.589 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -10.942 16.156 5.368 1.00 0.00 H new ATOM 0 HG LEU A 114 -10.738 18.885 4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -12.148 17.902 2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -10.577 17.077 2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.037 16.316 3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -13.192 18.905 4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -13.118 17.355 5.161 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -12.382 18.812 5.870 1.00 0.00 H new ATOM 1842 N LEU A 115 -8.022 16.382 7.004 1.00 0.00 N ATOM 1843 CA LEU A 115 -7.241 15.389 7.731 1.00 0.00 C ATOM 1844 C LEU A 115 -7.052 15.781 9.194 1.00 0.00 C ATOM 1845 O LEU A 115 -6.862 14.924 10.053 1.00 0.00 O ATOM 1846 CB LEU A 115 -5.883 15.190 7.058 1.00 0.00 C ATOM 1847 CG LEU A 115 -5.950 14.652 5.629 1.00 0.00 C ATOM 1848 CD1 LEU A 115 -4.560 14.573 5.032 1.00 0.00 C ATOM 1849 CD2 LEU A 115 -6.621 13.286 5.597 1.00 0.00 C ATOM 0 H LEU A 115 -7.521 16.828 6.235 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.795 14.450 7.708 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.355 16.143 7.048 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -5.290 14.503 7.663 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.549 15.339 5.031 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -4.623 14.188 4.014 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -4.113 15.567 5.017 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -3.943 13.907 5.634 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.658 12.923 4.570 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.052 12.587 6.209 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.635 13.369 5.989 1.00 0.00 H new ATOM 1861 N VAL A 116 -7.091 17.076 9.471 1.00 0.00 N ATOM 1862 CA VAL A 116 -6.985 17.559 10.841 1.00 0.00 C ATOM 1863 C VAL A 116 -8.347 17.501 11.529 1.00 0.00 C ATOM 1864 O VAL A 116 -8.443 17.188 12.718 1.00 0.00 O ATOM 1865 CB VAL A 116 -6.431 19.001 10.889 1.00 0.00 C ATOM 1866 CG1 VAL A 116 -6.331 19.505 12.324 1.00 0.00 C ATOM 1867 CG2 VAL A 116 -5.068 19.067 10.216 1.00 0.00 C ATOM 0 H VAL A 116 -7.195 17.809 8.769 1.00 0.00 H new ATOM 0 HA VAL A 116 -6.287 16.910 11.370 1.00 0.00 H new ATOM 0 HB VAL A 116 -7.126 19.645 10.350 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -5.938 20.522 12.326 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -7.320 19.497 12.782 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -5.663 18.857 12.892 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -4.691 20.089 10.258 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -4.375 18.403 10.732 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -5.161 18.757 9.175 1.00 0.00 H new ATOM 1877 N GLN A 117 -9.397 17.793 10.771 1.00 0.00 N ATOM 1878 CA GLN A 117 -10.757 17.748 11.279 1.00 0.00 C ATOM 1879 C GLN A 117 -11.139 16.335 11.714 1.00 0.00 C ATOM 1880 O GLN A 117 -11.732 16.138 12.777 1.00 0.00 O ATOM 1881 CB GLN A 117 -11.719 18.230 10.197 1.00 0.00 C ATOM 1882 CG GLN A 117 -11.554 19.694 9.816 1.00 0.00 C ATOM 1883 CD GLN A 117 -12.082 20.656 10.868 1.00 0.00 C ATOM 1884 OE1 GLN A 117 -12.062 20.373 12.068 1.00 0.00 O ATOM 1885 NE2 GLN A 117 -12.553 21.807 10.420 1.00 0.00 N ATOM 0 H GLN A 117 -9.327 18.066 9.791 1.00 0.00 H new ATOM 0 HA GLN A 117 -10.820 18.399 12.151 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -11.581 17.617 9.306 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -12.741 18.069 10.539 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -10.498 19.900 9.644 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -12.072 19.877 8.875 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -12.552 22.003 9.419 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -12.917 22.499 11.075 1.00 0.00 H new ATOM 1894 N LEU A 118 -10.790 15.359 10.888 1.00 0.00 N ATOM 1895 CA LEU A 118 -11.139 13.969 11.149 1.00 0.00 C ATOM 1896 C LEU A 118 -10.124 13.316 12.083 1.00 0.00 C ATOM 1897 O LEU A 118 -10.354 13.328 13.312 1.00 0.00 O ATOM 1898 CB LEU A 118 -11.227 13.192 9.834 1.00 0.00 C ATOM 1899 CG LEU A 118 -12.286 13.699 8.851 1.00 0.00 C ATOM 1900 CD1 LEU A 118 -12.236 12.904 7.557 1.00 0.00 C ATOM 1901 CD2 LEU A 118 -13.674 13.621 9.471 1.00 0.00 C ATOM 0 H LEU A 118 -10.263 15.505 10.027 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.112 13.948 11.639 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -10.254 13.225 9.345 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -11.435 12.146 10.061 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.070 14.743 8.623 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.995 13.278 6.871 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -11.251 13.011 7.102 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -12.425 11.852 7.769 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -14.412 13.986 8.757 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -13.899 12.586 9.730 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.705 14.235 10.371 1.00 0.00 H new TER 1913 LEU A 118