USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 558 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 1 ALA N :NH3+ 154:sc= 1.98 (180deg=1.02) USER MOD Set 1.2: A 56 HIS : no HE2:sc= 1.09 K(o=3.1,f=-16!) USER MOD Set 2.1: A 20 CYS SG : rot 170:sc= 0.192 USER MOD Set 2.2: A 24 CYS SG : rot 52:sc= -0.0842 USER MOD Set 3.1: A 8 CYS SG : rot -130:sc= 0.00237 USER MOD Set 3.2: A 31 GLN : amide:sc= -1.05 K(o=0.17,f=-6!) USER MOD Set 3.3: A 33 TYR OH : rot 166:sc= 1.22 USER MOD Single : A 2 TYR OH : rot 59:sc= 1.25 USER MOD Single : A 5 THR OG1 : rot -70:sc= 0.00388 USER MOD Single : A 11 THR OG1 : rot -55:sc= 0.159 USER MOD Single : A 12 LYS NZ :NH3+ -150:sc= 3.39 (180deg=2.87) USER MOD Single : A 13 CYS SG : rot 180:sc= -0.194 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 180:sc= 0.147 USER MOD Single : A 26 HIS : no HD1:sc= -0.869 X(o=-0.87,f=-0.51) USER MOD Single : A 32 TYR OH : rot -35:sc= 1.21 USER MOD Single : A 39 CYS SG : rot 170:sc= 0.349 USER MOD Single : A 42 CYS SG : rot 150:sc= 0 USER MOD Single : A 45 CYS SG : rot 180:sc= -0.03 USER MOD Single : A 49 CYS SG : rot 180:sc= -0.646 USER MOD Single : A 52 SER OG : rot -6:sc= 1.31 USER MOD Single : A 55 TYR OH : rot 52:sc= 1.23 USER MOD Single : A 65 LYS NZ :NH3+ -163:sc= 3.67 (180deg=3.13) USER MOD Single : A 66 SER OG : rot 100:sc= 1.16 USER MOD Single : A 67 TYR OH : rot 167:sc= 1.24 USER MOD Single : A 69 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.27) USER MOD Single : A 70 LYS NZ :NH3+ -167:sc= 2.42 (180deg=2.2) USER MOD Single : A 71 ASN :FLIP amide:sc= 0.448 F(o=-1.3!,f=0.45) USER MOD Single : A 76 LYS NZ :NH3+ -169:sc= 1.88 (180deg=1.8!) USER MOD Single : A 77 LYS NZ :NH3+ -147:sc= -0.508! (180deg=-1.79!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.384 2.762 7.300 1.00 0.00 N ATOM 2 CA ALA A 1 -6.374 3.038 6.267 1.00 0.00 C ATOM 3 C ALA A 1 -5.469 1.822 6.126 1.00 0.00 C ATOM 4 O ALA A 1 -4.974 1.342 7.143 1.00 0.00 O ATOM 5 CB ALA A 1 -5.550 4.265 6.654 1.00 0.00 C ATOM 0 H1 ALA A 1 -7.706 3.658 7.718 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.193 2.269 6.871 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.967 2.164 8.042 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.867 3.240 5.316 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.805 4.461 5.883 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -6.207 5.129 6.751 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -5.049 4.082 7.604 1.00 0.00 H new ATOM 13 N TYR A 2 -5.274 1.306 4.908 1.00 0.00 N ATOM 14 CA TYR A 2 -4.410 0.153 4.694 1.00 0.00 C ATOM 15 C TYR A 2 -3.095 0.592 4.065 1.00 0.00 C ATOM 16 O TYR A 2 -3.046 1.615 3.385 1.00 0.00 O ATOM 17 CB TYR A 2 -5.067 -0.889 3.781 1.00 0.00 C ATOM 18 CG TYR A 2 -6.503 -1.291 4.041 1.00 0.00 C ATOM 19 CD1 TYR A 2 -6.942 -1.556 5.347 1.00 0.00 C ATOM 20 CD2 TYR A 2 -7.355 -1.577 2.956 1.00 0.00 C ATOM 21 CE1 TYR A 2 -8.285 -1.897 5.583 1.00 0.00 C ATOM 22 CE2 TYR A 2 -8.683 -1.969 3.190 1.00 0.00 C ATOM 23 CZ TYR A 2 -9.171 -2.034 4.503 1.00 0.00 C ATOM 24 OH TYR A 2 -10.505 -2.187 4.721 1.00 0.00 O ATOM 0 H TYR A 2 -5.705 1.672 4.059 1.00 0.00 H new ATOM 0 HA TYR A 2 -4.231 -0.300 5.669 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -5.010 -0.514 2.759 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -4.459 -1.793 3.823 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -6.247 -1.498 6.172 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -6.987 -1.495 1.944 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -8.634 -2.053 6.593 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -9.327 -2.220 2.360 1.00 0.00 H new ATOM 0 HH TYR A 2 -10.844 -1.420 5.228 1.00 0.00 H new ATOM 34 N VAL A 3 -2.037 -0.189 4.294 1.00 0.00 N ATOM 35 CA VAL A 3 -0.702 0.090 3.788 1.00 0.00 C ATOM 36 C VAL A 3 -0.037 -1.191 3.275 1.00 0.00 C ATOM 37 O VAL A 3 -0.256 -2.278 3.810 1.00 0.00 O ATOM 38 CB VAL A 3 0.138 0.775 4.880 1.00 0.00 C ATOM 39 CG1 VAL A 3 1.494 1.213 4.317 1.00 0.00 C ATOM 40 CG2 VAL A 3 -0.561 2.034 5.401 1.00 0.00 C ATOM 0 H VAL A 3 -2.090 -1.045 4.846 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.775 0.773 2.941 1.00 0.00 H new ATOM 0 HB VAL A 3 0.266 0.051 5.685 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.075 1.696 5.103 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.034 0.341 3.950 1.00 0.00 H new ATOM 0 HG13 VAL A 3 1.338 1.915 3.498 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.054 2.499 6.172 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.706 2.736 4.580 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.529 1.764 5.823 1.00 0.00 H new ATOM 50 N ILE A 4 0.771 -1.034 2.220 1.00 0.00 N ATOM 51 CA ILE A 4 1.626 -2.050 1.636 1.00 0.00 C ATOM 52 C ILE A 4 2.660 -2.559 2.641 1.00 0.00 C ATOM 53 O ILE A 4 2.916 -1.914 3.656 1.00 0.00 O ATOM 54 CB ILE A 4 2.321 -1.446 0.400 1.00 0.00 C ATOM 55 CG1 ILE A 4 3.222 -0.224 0.681 1.00 0.00 C ATOM 56 CG2 ILE A 4 1.295 -1.039 -0.663 1.00 0.00 C ATOM 57 CD1 ILE A 4 4.595 -0.570 1.273 1.00 0.00 C ATOM 0 H ILE A 4 0.843 -0.142 1.731 1.00 0.00 H new ATOM 0 HA ILE A 4 1.019 -2.907 1.345 1.00 0.00 H new ATOM 0 HB ILE A 4 2.969 -2.249 0.050 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.369 0.325 -0.249 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.702 0.445 1.367 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.812 -0.616 -1.524 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.727 -1.916 -0.975 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.615 -0.296 -0.247 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.161 0.347 1.439 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.462 -1.090 2.221 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.139 -1.212 0.580 1.00 0.00 H new ATOM 69 N THR A 5 3.299 -3.690 2.334 1.00 0.00 N ATOM 70 CA THR A 5 4.445 -4.201 3.068 1.00 0.00 C ATOM 71 C THR A 5 5.312 -5.028 2.126 1.00 0.00 C ATOM 72 O THR A 5 4.868 -5.370 1.034 1.00 0.00 O ATOM 73 CB THR A 5 3.985 -5.066 4.249 1.00 0.00 C ATOM 74 OG1 THR A 5 3.001 -6.003 3.851 1.00 0.00 O ATOM 75 CG2 THR A 5 3.431 -4.200 5.375 1.00 0.00 C ATOM 0 H THR A 5 3.024 -4.284 1.551 1.00 0.00 H new ATOM 0 HA THR A 5 5.021 -3.363 3.460 1.00 0.00 H new ATOM 0 HB THR A 5 4.860 -5.608 4.609 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.168 -5.532 3.638 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.112 -4.837 6.200 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.205 -3.516 5.723 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.579 -3.627 5.008 1.00 0.00 H new ATOM 83 N GLU A 6 6.518 -5.368 2.591 1.00 0.00 N ATOM 84 CA GLU A 6 7.484 -6.301 2.017 1.00 0.00 C ATOM 85 C GLU A 6 6.995 -7.142 0.819 1.00 0.00 C ATOM 86 O GLU A 6 7.566 -7.002 -0.263 1.00 0.00 O ATOM 87 CB GLU A 6 8.086 -7.130 3.153 1.00 0.00 C ATOM 88 CG GLU A 6 9.542 -7.502 2.912 1.00 0.00 C ATOM 89 CD GLU A 6 10.482 -6.768 3.860 1.00 0.00 C ATOM 90 OE1 GLU A 6 10.797 -5.601 3.548 1.00 0.00 O ATOM 91 OE2 GLU A 6 10.800 -7.350 4.920 1.00 0.00 O ATOM 0 H GLU A 6 6.871 -4.959 3.456 1.00 0.00 H new ATOM 0 HA GLU A 6 8.262 -5.705 1.539 1.00 0.00 H new ATOM 0 HB2 GLU A 6 8.010 -6.569 4.084 1.00 0.00 H new ATOM 0 HB3 GLU A 6 7.501 -8.041 3.280 1.00 0.00 H new ATOM 0 HG2 GLU A 6 9.667 -8.577 3.038 1.00 0.00 H new ATOM 0 HG3 GLU A 6 9.810 -7.268 1.882 1.00 0.00 H new ATOM 98 N PRO A 7 5.971 -8.012 0.940 1.00 0.00 N ATOM 99 CA PRO A 7 5.609 -8.919 -0.144 1.00 0.00 C ATOM 100 C PRO A 7 5.174 -8.197 -1.429 1.00 0.00 C ATOM 101 O PRO A 7 5.226 -8.785 -2.506 1.00 0.00 O ATOM 102 CB PRO A 7 4.504 -9.825 0.414 1.00 0.00 C ATOM 103 CG PRO A 7 4.685 -9.715 1.930 1.00 0.00 C ATOM 104 CD PRO A 7 5.083 -8.250 2.072 1.00 0.00 C ATOM 0 HA PRO A 7 6.479 -9.496 -0.456 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.515 -9.490 0.102 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.616 -10.853 0.070 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.768 -9.947 2.472 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.456 -10.389 2.303 1.00 0.00 H new ATOM 0 HD2 PRO A 7 4.212 -7.595 2.040 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.587 -8.064 3.020 1.00 0.00 H new ATOM 112 N CYS A 8 4.749 -6.931 -1.329 1.00 0.00 N ATOM 113 CA CYS A 8 4.424 -6.093 -2.476 1.00 0.00 C ATOM 114 C CYS A 8 5.640 -5.856 -3.384 1.00 0.00 C ATOM 115 O CYS A 8 5.477 -5.655 -4.590 1.00 0.00 O ATOM 116 CB CYS A 8 3.869 -4.777 -1.983 1.00 0.00 C ATOM 117 SG CYS A 8 3.898 -3.384 -3.136 1.00 0.00 S ATOM 0 H CYS A 8 4.622 -6.459 -0.434 1.00 0.00 H new ATOM 0 HA CYS A 8 3.678 -6.612 -3.078 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.836 -4.940 -1.676 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.425 -4.489 -1.091 1.00 0.00 H new ATOM 0 HG CYS A 8 4.421 -2.347 -2.551 1.00 0.00 H new ATOM 122 N ILE A 9 6.858 -5.840 -2.826 1.00 0.00 N ATOM 123 CA ILE A 9 8.038 -5.460 -3.589 1.00 0.00 C ATOM 124 C ILE A 9 8.347 -6.517 -4.657 1.00 0.00 C ATOM 125 O ILE A 9 9.086 -7.471 -4.424 1.00 0.00 O ATOM 126 CB ILE A 9 9.221 -5.104 -2.665 1.00 0.00 C ATOM 127 CG1 ILE A 9 8.919 -3.779 -1.936 1.00 0.00 C ATOM 128 CG2 ILE A 9 10.520 -4.898 -3.462 1.00 0.00 C ATOM 129 CD1 ILE A 9 8.372 -4.002 -0.535 1.00 0.00 C ATOM 0 H ILE A 9 7.044 -6.086 -1.854 1.00 0.00 H new ATOM 0 HA ILE A 9 7.836 -4.539 -4.136 1.00 0.00 H new ATOM 0 HB ILE A 9 9.349 -5.931 -1.966 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.830 -3.184 -1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.199 -3.203 -2.517 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.331 -4.649 -2.778 1.00 0.00 H new ATOM 0 HG22 ILE A 9 10.767 -5.814 -3.999 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.384 -4.085 -4.175 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.175 -3.039 -0.064 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.446 -4.574 -0.593 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.102 -4.554 0.057 1.00 0.00 H new ATOM 141 N GLY A 10 7.780 -6.312 -5.849 1.00 0.00 N ATOM 142 CA GLY A 10 7.974 -7.125 -7.036 1.00 0.00 C ATOM 143 C GLY A 10 8.268 -6.230 -8.237 1.00 0.00 C ATOM 144 O GLY A 10 7.531 -6.246 -9.217 1.00 0.00 O ATOM 0 H GLY A 10 7.142 -5.533 -6.012 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.798 -7.821 -6.880 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.083 -7.723 -7.227 1.00 0.00 H new ATOM 148 N THR A 11 9.366 -5.469 -8.150 1.00 0.00 N ATOM 149 CA THR A 11 9.938 -4.654 -9.221 1.00 0.00 C ATOM 150 C THR A 11 8.897 -3.930 -10.090 1.00 0.00 C ATOM 151 O THR A 11 8.736 -4.250 -11.267 1.00 0.00 O ATOM 152 CB THR A 11 10.966 -5.470 -10.036 1.00 0.00 C ATOM 153 OG1 THR A 11 11.460 -4.696 -11.108 1.00 0.00 O ATOM 154 CG2 THR A 11 10.441 -6.796 -10.603 1.00 0.00 C ATOM 0 H THR A 11 9.904 -5.404 -7.286 1.00 0.00 H new ATOM 0 HA THR A 11 10.475 -3.836 -8.741 1.00 0.00 H new ATOM 0 HB THR A 11 11.748 -5.723 -9.320 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.711 -4.372 -11.650 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.236 -7.294 -11.158 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.113 -7.437 -9.785 1.00 0.00 H new ATOM 0 HG23 THR A 11 9.601 -6.600 -11.269 1.00 0.00 H new ATOM 162 N LYS A 12 8.271 -2.887 -9.535 1.00 0.00 N ATOM 163 CA LYS A 12 7.383 -1.978 -10.251 1.00 0.00 C ATOM 164 C LYS A 12 6.067 -2.638 -10.680 1.00 0.00 C ATOM 165 O LYS A 12 5.627 -2.492 -11.820 1.00 0.00 O ATOM 166 CB LYS A 12 8.093 -1.263 -11.415 1.00 0.00 C ATOM 167 CG LYS A 12 9.374 -0.547 -10.962 1.00 0.00 C ATOM 168 CD LYS A 12 9.916 0.425 -12.025 1.00 0.00 C ATOM 169 CE LYS A 12 9.049 1.680 -12.234 1.00 0.00 C ATOM 170 NZ LYS A 12 9.119 2.603 -11.089 1.00 0.00 N ATOM 0 H LYS A 12 8.374 -2.649 -8.548 1.00 0.00 H new ATOM 0 HA LYS A 12 7.105 -1.204 -9.535 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.340 -1.990 -12.189 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.413 -0.538 -11.863 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.173 0.002 -10.042 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.138 -1.289 -10.730 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.921 0.735 -11.739 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.004 -0.104 -12.974 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.375 2.198 -13.136 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.013 1.381 -12.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.222 3.122 -11.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.288 2.062 -10.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.897 3.278 -11.234 1.00 0.00 H new ATOM 184 N CYS A 13 5.414 -3.332 -9.745 1.00 0.00 N ATOM 185 CA CYS A 13 4.044 -3.800 -9.926 1.00 0.00 C ATOM 186 C CYS A 13 3.134 -2.569 -10.047 1.00 0.00 C ATOM 187 O CYS A 13 3.469 -1.517 -9.508 1.00 0.00 O ATOM 188 CB CYS A 13 3.653 -4.650 -8.750 1.00 0.00 C ATOM 189 SG CYS A 13 1.883 -5.003 -8.614 1.00 0.00 S ATOM 0 H CYS A 13 5.822 -3.583 -8.844 1.00 0.00 H new ATOM 0 HA CYS A 13 3.950 -4.406 -10.827 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.193 -5.595 -8.809 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.980 -4.152 -7.837 1.00 0.00 H new ATOM 0 HG CYS A 13 1.667 -5.743 -7.567 1.00 0.00 H new ATOM 194 N ALA A 14 1.997 -2.674 -10.745 1.00 0.00 N ATOM 195 CA ALA A 14 1.092 -1.547 -10.953 1.00 0.00 C ATOM 196 C ALA A 14 -0.370 -1.993 -11.060 1.00 0.00 C ATOM 197 O ALA A 14 -1.107 -1.463 -11.884 1.00 0.00 O ATOM 198 CB ALA A 14 1.525 -0.787 -12.213 1.00 0.00 C ATOM 0 H ALA A 14 1.683 -3.542 -11.179 1.00 0.00 H new ATOM 0 HA ALA A 14 1.152 -0.890 -10.086 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.855 0.057 -12.377 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.544 -0.422 -12.085 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.484 -1.455 -13.073 1.00 0.00 H new ATOM 204 N SER A 15 -0.811 -2.958 -10.245 1.00 0.00 N ATOM 205 CA SER A 15 -2.208 -3.405 -10.291 1.00 0.00 C ATOM 206 C SER A 15 -3.132 -2.509 -9.453 1.00 0.00 C ATOM 207 O SER A 15 -4.272 -2.266 -9.835 1.00 0.00 O ATOM 208 CB SER A 15 -2.326 -4.874 -9.872 1.00 0.00 C ATOM 209 OG SER A 15 -1.518 -5.690 -10.701 1.00 0.00 O ATOM 0 H SER A 15 -0.232 -3.438 -9.556 1.00 0.00 H new ATOM 0 HA SER A 15 -2.540 -3.319 -11.325 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.022 -4.988 -8.831 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.366 -5.195 -9.937 1.00 0.00 H new ATOM 0 HG SER A 15 -1.602 -6.625 -10.421 1.00 0.00 H new ATOM 215 N CYS A 16 -2.645 -2.037 -8.304 1.00 0.00 N ATOM 216 CA CYS A 16 -3.398 -1.250 -7.327 1.00 0.00 C ATOM 217 C CYS A 16 -3.734 0.177 -7.822 1.00 0.00 C ATOM 218 O CYS A 16 -4.591 0.842 -7.241 1.00 0.00 O ATOM 219 CB CYS A 16 -2.685 -1.298 -5.981 1.00 0.00 C ATOM 220 SG CYS A 16 -0.891 -1.045 -5.974 1.00 0.00 S ATOM 0 H CYS A 16 -1.679 -2.199 -8.018 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.380 -1.703 -7.193 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.134 -0.543 -5.336 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.890 -2.267 -5.527 1.00 0.00 H new ATOM 0 HG CYS A 16 -0.448 -1.115 -4.754 1.00 0.00 H new ATOM 225 N VAL A 17 -3.102 0.648 -8.905 1.00 0.00 N ATOM 226 CA VAL A 17 -3.355 1.957 -9.520 1.00 0.00 C ATOM 227 C VAL A 17 -4.741 2.039 -10.173 1.00 0.00 C ATOM 228 O VAL A 17 -5.297 1.012 -10.559 1.00 0.00 O ATOM 229 CB VAL A 17 -2.211 2.273 -10.504 1.00 0.00 C ATOM 230 CG1 VAL A 17 -2.358 1.489 -11.812 1.00 0.00 C ATOM 231 CG2 VAL A 17 -2.080 3.773 -10.801 1.00 0.00 C ATOM 0 H VAL A 17 -2.381 0.114 -9.391 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.368 2.721 -8.742 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.295 1.956 -10.006 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.534 1.738 -12.480 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.342 0.420 -11.599 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.303 1.750 -12.289 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.259 3.935 -11.499 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.008 4.139 -11.241 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.880 4.311 -9.874 1.00 0.00 H new ATOM 241 N GLU A 18 -5.315 3.248 -10.287 1.00 0.00 N ATOM 242 CA GLU A 18 -6.504 3.579 -11.054 1.00 0.00 C ATOM 243 C GLU A 18 -7.801 3.120 -10.378 1.00 0.00 C ATOM 244 O GLU A 18 -8.803 3.832 -10.389 1.00 0.00 O ATOM 245 CB GLU A 18 -6.352 3.072 -12.493 1.00 0.00 C ATOM 246 CG GLU A 18 -7.252 3.866 -13.441 1.00 0.00 C ATOM 247 CD GLU A 18 -7.335 3.221 -14.818 1.00 0.00 C ATOM 248 OE1 GLU A 18 -6.383 3.430 -15.600 1.00 0.00 O ATOM 249 OE2 GLU A 18 -8.345 2.525 -15.061 1.00 0.00 O ATOM 0 H GLU A 18 -4.929 4.064 -9.812 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.594 4.665 -11.092 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.313 3.163 -12.808 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.608 2.014 -12.540 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.252 3.941 -13.014 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.870 4.882 -13.538 1.00 0.00 H new ATOM 256 N VAL A 19 -7.796 1.927 -9.784 1.00 0.00 N ATOM 257 CA VAL A 19 -8.982 1.332 -9.188 1.00 0.00 C ATOM 258 C VAL A 19 -9.340 2.058 -7.887 1.00 0.00 C ATOM 259 O VAL A 19 -10.505 2.101 -7.491 1.00 0.00 O ATOM 260 CB VAL A 19 -8.774 -0.185 -9.009 1.00 0.00 C ATOM 261 CG1 VAL A 19 -7.699 -0.529 -7.967 1.00 0.00 C ATOM 262 CG2 VAL A 19 -10.097 -0.884 -8.672 1.00 0.00 C ATOM 0 H VAL A 19 -6.961 1.346 -9.705 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.838 1.453 -9.852 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.410 -0.558 -9.966 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.601 -1.612 -7.889 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -6.745 -0.100 -8.273 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.987 -0.120 -6.999 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.923 -1.953 -8.551 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -10.499 -0.474 -7.745 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.810 -0.722 -9.480 1.00 0.00 H new ATOM 272 N CYS A 20 -8.334 2.611 -7.205 1.00 0.00 N ATOM 273 CA CYS A 20 -8.519 3.285 -5.934 1.00 0.00 C ATOM 274 C CYS A 20 -9.369 4.555 -6.127 1.00 0.00 C ATOM 275 O CYS A 20 -9.015 5.413 -6.936 1.00 0.00 O ATOM 276 CB CYS A 20 -7.178 3.624 -5.355 1.00 0.00 C ATOM 277 SG CYS A 20 -7.143 4.734 -3.917 1.00 0.00 S ATOM 0 H CYS A 20 -7.366 2.599 -7.527 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.047 2.627 -5.243 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -6.688 2.692 -5.073 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -6.575 4.075 -6.143 1.00 0.00 H new ATOM 0 HG CYS A 20 -5.945 4.754 -3.413 1.00 0.00 H new ATOM 282 N PRO A 21 -10.462 4.701 -5.358 1.00 0.00 N ATOM 283 CA PRO A 21 -11.376 5.837 -5.361 1.00 0.00 C ATOM 284 C PRO A 21 -10.716 7.210 -5.499 1.00 0.00 C ATOM 285 O PRO A 21 -11.291 8.098 -6.124 1.00 0.00 O ATOM 286 CB PRO A 21 -12.132 5.739 -4.033 1.00 0.00 C ATOM 287 CG PRO A 21 -12.197 4.234 -3.789 1.00 0.00 C ATOM 288 CD PRO A 21 -10.867 3.740 -4.355 1.00 0.00 C ATOM 0 HA PRO A 21 -12.015 5.775 -6.242 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.607 6.256 -3.230 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.126 6.181 -4.100 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.297 4.000 -2.729 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -13.047 3.778 -4.297 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.117 3.661 -3.568 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.977 2.747 -4.791 1.00 0.00 H new ATOM 296 N VAL A 22 -9.549 7.400 -4.876 1.00 0.00 N ATOM 297 CA VAL A 22 -8.841 8.675 -4.855 1.00 0.00 C ATOM 298 C VAL A 22 -7.390 8.530 -5.335 1.00 0.00 C ATOM 299 O VAL A 22 -6.568 9.389 -5.025 1.00 0.00 O ATOM 300 CB VAL A 22 -8.949 9.294 -3.446 1.00 0.00 C ATOM 301 CG1 VAL A 22 -10.395 9.703 -3.129 1.00 0.00 C ATOM 302 CG2 VAL A 22 -8.442 8.341 -2.352 1.00 0.00 C ATOM 0 H VAL A 22 -9.066 6.660 -4.366 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.311 9.359 -5.562 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.314 10.180 -3.452 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.440 10.136 -2.130 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.733 10.439 -3.859 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.039 8.825 -3.173 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.538 8.821 -1.378 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.033 7.425 -2.365 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.395 8.100 -2.536 1.00 0.00 H new ATOM 312 N ASP A 23 -7.088 7.463 -6.092 1.00 0.00 N ATOM 313 CA ASP A 23 -5.777 7.135 -6.661 1.00 0.00 C ATOM 314 C ASP A 23 -4.594 7.568 -5.777 1.00 0.00 C ATOM 315 O ASP A 23 -3.655 8.223 -6.222 1.00 0.00 O ATOM 316 CB ASP A 23 -5.693 7.631 -8.114 1.00 0.00 C ATOM 317 CG ASP A 23 -4.615 6.909 -8.925 1.00 0.00 C ATOM 318 OD1 ASP A 23 -4.745 5.673 -9.097 1.00 0.00 O ATOM 319 OD2 ASP A 23 -3.702 7.611 -9.408 1.00 0.00 O ATOM 0 H ASP A 23 -7.794 6.769 -6.335 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.684 6.049 -6.684 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.660 7.491 -8.597 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.487 8.701 -8.117 1.00 0.00 H new ATOM 324 N CYS A 24 -4.625 7.178 -4.498 1.00 0.00 N ATOM 325 CA CYS A 24 -3.613 7.532 -3.504 1.00 0.00 C ATOM 326 C CYS A 24 -2.552 6.438 -3.392 1.00 0.00 C ATOM 327 O CYS A 24 -2.129 6.087 -2.288 1.00 0.00 O ATOM 328 CB CYS A 24 -4.265 7.845 -2.158 1.00 0.00 C ATOM 329 SG CYS A 24 -5.015 6.391 -1.389 1.00 0.00 S ATOM 0 H CYS A 24 -5.372 6.595 -4.120 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.103 8.437 -3.834 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.516 8.261 -1.484 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.028 8.611 -2.298 1.00 0.00 H new ATOM 0 HG CYS A 24 -4.142 5.429 -1.336 1.00 0.00 H new ATOM 335 N ILE A 25 -2.129 5.909 -4.543 1.00 0.00 N ATOM 336 CA ILE A 25 -1.037 4.961 -4.689 1.00 0.00 C ATOM 337 C ILE A 25 0.050 5.672 -5.499 1.00 0.00 C ATOM 338 O ILE A 25 -0.249 6.305 -6.509 1.00 0.00 O ATOM 339 CB ILE A 25 -1.492 3.628 -5.310 1.00 0.00 C ATOM 340 CG1 ILE A 25 -2.349 3.730 -6.571 1.00 0.00 C ATOM 341 CG2 ILE A 25 -2.158 2.703 -4.290 1.00 0.00 C ATOM 342 CD1 ILE A 25 -3.851 3.903 -6.309 1.00 0.00 C ATOM 0 H ILE A 25 -2.563 6.145 -5.436 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.643 4.668 -3.716 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.551 3.187 -5.639 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.998 4.573 -7.166 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.199 2.832 -7.170 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.460 1.778 -4.781 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.453 2.477 -3.490 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.036 3.195 -3.872 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.381 3.967 -7.259 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.222 3.049 -5.743 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.018 4.817 -5.739 1.00 0.00 H new ATOM 354 N HIS A 26 1.302 5.604 -5.042 1.00 0.00 N ATOM 355 CA HIS A 26 2.385 6.435 -5.548 1.00 0.00 C ATOM 356 C HIS A 26 3.664 5.674 -5.844 1.00 0.00 C ATOM 357 O HIS A 26 4.071 4.838 -5.054 1.00 0.00 O ATOM 358 CB HIS A 26 2.694 7.408 -4.417 1.00 0.00 C ATOM 359 CG HIS A 26 1.514 8.304 -4.117 1.00 0.00 C ATOM 360 ND1 HIS A 26 0.929 9.179 -5.004 1.00 0.00 N ATOM 361 CD2 HIS A 26 0.674 8.193 -3.038 1.00 0.00 C ATOM 362 CE1 HIS A 26 -0.221 9.608 -4.455 1.00 0.00 C ATOM 363 NE2 HIS A 26 -0.419 9.036 -3.256 1.00 0.00 N ATOM 0 H HIS A 26 1.591 4.963 -4.303 1.00 0.00 H new ATOM 0 HA HIS A 26 2.068 6.890 -6.487 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.966 6.851 -3.521 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.556 8.018 -4.686 1.00 0.00 H new ATOM 0 HD2 HIS A 26 0.830 7.565 -2.173 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.894 10.316 -4.915 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -1.210 9.187 -2.629 1.00 0.00 H new ATOM 371 N GLU A 27 4.378 6.023 -6.909 1.00 0.00 N ATOM 372 CA GLU A 27 5.696 5.452 -7.115 1.00 0.00 C ATOM 373 C GLU A 27 6.761 6.203 -6.331 1.00 0.00 C ATOM 374 O GLU A 27 6.917 7.414 -6.469 1.00 0.00 O ATOM 375 CB GLU A 27 6.090 5.425 -8.587 1.00 0.00 C ATOM 376 CG GLU A 27 5.301 4.348 -9.320 1.00 0.00 C ATOM 377 CD GLU A 27 5.741 4.243 -10.773 1.00 0.00 C ATOM 378 OE1 GLU A 27 6.962 4.063 -10.979 1.00 0.00 O ATOM 379 OE2 GLU A 27 4.863 4.321 -11.655 1.00 0.00 O ATOM 0 H GLU A 27 4.073 6.682 -7.625 1.00 0.00 H new ATOM 0 HA GLU A 27 5.636 4.426 -6.751 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.900 6.398 -9.040 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.159 5.232 -8.682 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.442 3.388 -8.824 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.236 4.578 -9.274 1.00 0.00 H new ATOM 386 N GLY A 28 7.497 5.448 -5.523 1.00 0.00 N ATOM 387 CA GLY A 28 8.731 5.906 -4.908 1.00 0.00 C ATOM 388 C GLY A 28 9.782 5.587 -5.966 1.00 0.00 C ATOM 389 O GLY A 28 10.497 6.465 -6.438 1.00 0.00 O ATOM 0 H GLY A 28 7.248 4.490 -5.276 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.697 6.972 -4.681 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.932 5.387 -3.971 1.00 0.00 H new ATOM 393 N GLU A 29 9.797 4.307 -6.358 1.00 0.00 N ATOM 394 CA GLU A 29 10.504 3.745 -7.497 1.00 0.00 C ATOM 395 C GLU A 29 10.069 2.279 -7.603 1.00 0.00 C ATOM 396 O GLU A 29 9.436 1.868 -8.573 1.00 0.00 O ATOM 397 CB GLU A 29 12.038 3.873 -7.368 1.00 0.00 C ATOM 398 CG GLU A 29 12.737 4.031 -8.731 1.00 0.00 C ATOM 399 CD GLU A 29 12.224 3.068 -9.792 1.00 0.00 C ATOM 400 OE1 GLU A 29 12.454 1.852 -9.640 1.00 0.00 O ATOM 401 OE2 GLU A 29 11.538 3.555 -10.717 1.00 0.00 O ATOM 0 H GLU A 29 9.277 3.594 -5.847 1.00 0.00 H new ATOM 0 HA GLU A 29 10.251 4.297 -8.402 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.275 4.732 -6.741 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.431 2.991 -6.863 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.601 5.053 -9.084 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.808 3.878 -8.601 1.00 0.00 H new ATOM 408 N ASP A 30 10.352 1.515 -6.547 1.00 0.00 N ATOM 409 CA ASP A 30 10.248 0.067 -6.481 1.00 0.00 C ATOM 410 C ASP A 30 8.822 -0.479 -6.581 1.00 0.00 C ATOM 411 O ASP A 30 8.635 -1.605 -7.048 1.00 0.00 O ATOM 412 CB ASP A 30 10.892 -0.393 -5.164 1.00 0.00 C ATOM 413 CG ASP A 30 10.161 0.151 -3.942 1.00 0.00 C ATOM 414 OD1 ASP A 30 10.127 1.395 -3.796 1.00 0.00 O ATOM 415 OD2 ASP A 30 9.625 -0.666 -3.167 1.00 0.00 O ATOM 0 H ASP A 30 10.678 1.918 -5.669 1.00 0.00 H new ATOM 0 HA ASP A 30 10.764 -0.331 -7.354 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.898 -1.482 -5.126 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.932 -0.067 -5.137 1.00 0.00 H new ATOM 420 N GLN A 31 7.821 0.284 -6.134 1.00 0.00 N ATOM 421 CA GLN A 31 6.466 -0.204 -5.951 1.00 0.00 C ATOM 422 C GLN A 31 5.496 0.972 -5.965 1.00 0.00 C ATOM 423 O GLN A 31 5.933 2.124 -5.977 1.00 0.00 O ATOM 424 CB GLN A 31 6.418 -0.885 -4.573 1.00 0.00 C ATOM 425 CG GLN A 31 6.510 0.152 -3.448 1.00 0.00 C ATOM 426 CD GLN A 31 6.390 -0.517 -2.101 1.00 0.00 C ATOM 427 OE1 GLN A 31 5.299 -0.634 -1.561 1.00 0.00 O ATOM 428 NE2 GLN A 31 7.501 -0.965 -1.550 1.00 0.00 N ATOM 0 H GLN A 31 7.937 1.267 -5.889 1.00 0.00 H new ATOM 0 HA GLN A 31 6.189 -0.898 -6.745 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.493 -1.453 -4.475 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.239 -1.596 -4.485 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.459 0.684 -3.513 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.720 0.894 -3.564 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.392 -0.848 -2.032 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.469 -1.428 -0.642 1.00 0.00 H new ATOM 437 N TYR A 32 4.199 0.667 -5.858 1.00 0.00 N ATOM 438 CA TYR A 32 3.146 1.642 -5.622 1.00 0.00 C ATOM 439 C TYR A 32 2.829 1.671 -4.117 1.00 0.00 C ATOM 440 O TYR A 32 2.390 0.675 -3.548 1.00 0.00 O ATOM 441 CB TYR A 32 1.920 1.323 -6.483 1.00 0.00 C ATOM 442 CG TYR A 32 1.979 1.935 -7.871 1.00 0.00 C ATOM 443 CD1 TYR A 32 2.915 1.463 -8.808 1.00 0.00 C ATOM 444 CD2 TYR A 32 1.186 3.053 -8.191 1.00 0.00 C ATOM 445 CE1 TYR A 32 2.996 2.044 -10.084 1.00 0.00 C ATOM 446 CE2 TYR A 32 1.293 3.658 -9.453 1.00 0.00 C ATOM 447 CZ TYR A 32 2.182 3.143 -10.408 1.00 0.00 C ATOM 448 OH TYR A 32 2.324 3.784 -11.598 1.00 0.00 O ATOM 0 H TYR A 32 3.851 -0.289 -5.936 1.00 0.00 H new ATOM 0 HA TYR A 32 3.474 2.639 -5.917 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.822 0.241 -6.575 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.025 1.682 -5.974 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.575 0.650 -8.545 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.493 3.447 -7.463 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.683 1.646 -10.816 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.690 4.522 -9.689 1.00 0.00 H new ATOM 0 HH TYR A 32 3.270 3.796 -11.852 1.00 0.00 H new ATOM 458 N TYR A 33 3.089 2.823 -3.497 1.00 0.00 N ATOM 459 CA TYR A 33 3.011 3.175 -2.086 1.00 0.00 C ATOM 460 C TYR A 33 1.658 3.813 -1.798 1.00 0.00 C ATOM 461 O TYR A 33 1.366 4.861 -2.367 1.00 0.00 O ATOM 462 CB TYR A 33 4.087 4.237 -1.821 1.00 0.00 C ATOM 463 CG TYR A 33 5.480 3.668 -1.667 1.00 0.00 C ATOM 464 CD1 TYR A 33 5.831 2.977 -0.497 1.00 0.00 C ATOM 465 CD2 TYR A 33 6.386 3.733 -2.737 1.00 0.00 C ATOM 466 CE1 TYR A 33 7.091 2.366 -0.389 1.00 0.00 C ATOM 467 CE2 TYR A 33 7.654 3.144 -2.622 1.00 0.00 C ATOM 468 CZ TYR A 33 8.005 2.448 -1.454 1.00 0.00 C ATOM 469 OH TYR A 33 9.234 1.877 -1.340 1.00 0.00 O ATOM 0 H TYR A 33 3.397 3.627 -4.044 1.00 0.00 H new ATOM 0 HA TYR A 33 3.147 2.288 -1.467 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.086 4.955 -2.642 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.827 4.787 -0.916 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.130 2.915 0.323 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.107 4.237 -3.650 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.358 1.833 0.512 1.00 0.00 H new ATOM 0 HE2 TYR A 33 8.362 3.226 -3.434 1.00 0.00 H new ATOM 0 HH TYR A 33 9.656 1.830 -2.223 1.00 0.00 H new ATOM 479 N ILE A 34 0.847 3.231 -0.916 1.00 0.00 N ATOM 480 CA ILE A 34 -0.438 3.800 -0.554 1.00 0.00 C ATOM 481 C ILE A 34 -0.243 4.899 0.491 1.00 0.00 C ATOM 482 O ILE A 34 0.397 4.638 1.507 1.00 0.00 O ATOM 483 CB ILE A 34 -1.365 2.702 0.008 1.00 0.00 C ATOM 484 CG1 ILE A 34 -1.787 1.723 -1.101 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.604 3.325 0.675 1.00 0.00 C ATOM 486 CD1 ILE A 34 -2.383 0.434 -0.552 1.00 0.00 C ATOM 0 H ILE A 34 1.066 2.357 -0.438 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.898 4.229 -1.444 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.810 2.146 0.763 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.516 2.208 -1.750 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.921 1.484 -1.718 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.244 2.533 1.064 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.290 3.973 1.493 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.157 3.910 -0.060 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.663 -0.219 -1.379 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.647 -0.069 0.075 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.267 0.666 0.042 1.00 0.00 H new ATOM 498 N ASP A 35 -0.816 6.096 0.307 1.00 0.00 N ATOM 499 CA ASP A 35 -0.838 7.049 1.417 1.00 0.00 C ATOM 500 C ASP A 35 -1.944 6.607 2.386 1.00 0.00 C ATOM 501 O ASP A 35 -3.116 6.722 2.021 1.00 0.00 O ATOM 502 CB ASP A 35 -1.117 8.497 0.986 1.00 0.00 C ATOM 503 CG ASP A 35 -0.807 9.442 2.141 1.00 0.00 C ATOM 504 OD1 ASP A 35 -0.958 9.031 3.309 1.00 0.00 O ATOM 505 OD2 ASP A 35 -0.344 10.579 1.913 1.00 0.00 O ATOM 0 H ASP A 35 -1.251 6.415 -0.559 1.00 0.00 H new ATOM 0 HA ASP A 35 0.152 7.045 1.873 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.507 8.753 0.119 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.159 8.603 0.685 1.00 0.00 H new ATOM 510 N PRO A 36 -1.645 6.134 3.607 1.00 0.00 N ATOM 511 CA PRO A 36 -2.689 5.786 4.555 1.00 0.00 C ATOM 512 C PRO A 36 -3.564 6.993 4.883 1.00 0.00 C ATOM 513 O PRO A 36 -4.739 6.839 5.200 1.00 0.00 O ATOM 514 CB PRO A 36 -1.969 5.307 5.816 1.00 0.00 C ATOM 515 CG PRO A 36 -0.599 5.980 5.734 1.00 0.00 C ATOM 516 CD PRO A 36 -0.338 6.029 4.232 1.00 0.00 C ATOM 0 HA PRO A 36 -3.347 5.021 4.142 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.505 5.601 6.718 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.880 4.221 5.837 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.610 6.976 6.176 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.165 5.407 6.259 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.290 6.881 3.972 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.185 5.134 3.896 1.00 0.00 H new ATOM 524 N ASP A 37 -2.987 8.194 4.850 1.00 0.00 N ATOM 525 CA ASP A 37 -3.659 9.393 5.304 1.00 0.00 C ATOM 526 C ASP A 37 -4.630 9.887 4.228 1.00 0.00 C ATOM 527 O ASP A 37 -5.597 10.571 4.558 1.00 0.00 O ATOM 528 CB ASP A 37 -2.614 10.433 5.735 1.00 0.00 C ATOM 529 CG ASP A 37 -1.645 9.842 6.756 1.00 0.00 C ATOM 530 OD1 ASP A 37 -2.127 9.362 7.801 1.00 0.00 O ATOM 531 OD2 ASP A 37 -0.422 9.802 6.482 1.00 0.00 O ATOM 0 H ASP A 37 -2.040 8.354 4.506 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.269 9.188 6.184 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.061 10.782 4.863 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.115 11.301 6.163 1.00 0.00 H new ATOM 536 N VAL A 38 -4.403 9.529 2.953 1.00 0.00 N ATOM 537 CA VAL A 38 -5.357 9.804 1.881 1.00 0.00 C ATOM 538 C VAL A 38 -6.320 8.621 1.684 1.00 0.00 C ATOM 539 O VAL A 38 -7.480 8.836 1.335 1.00 0.00 O ATOM 540 CB VAL A 38 -4.633 10.238 0.589 1.00 0.00 C ATOM 541 CG1 VAL A 38 -5.642 10.678 -0.481 1.00 0.00 C ATOM 542 CG2 VAL A 38 -3.700 11.426 0.865 1.00 0.00 C ATOM 0 H VAL A 38 -3.559 9.046 2.645 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.978 10.651 2.171 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.061 9.380 0.237 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.108 10.979 -1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.309 9.849 -0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.226 11.519 -0.107 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.199 11.717 -0.058 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.283 12.266 1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.955 11.139 1.607 1.00 0.00 H new ATOM 552 N CYS A 39 -5.874 7.378 1.904 1.00 0.00 N ATOM 553 CA CYS A 39 -6.726 6.201 1.762 1.00 0.00 C ATOM 554 C CYS A 39 -7.961 6.289 2.670 1.00 0.00 C ATOM 555 O CYS A 39 -7.852 6.402 3.889 1.00 0.00 O ATOM 556 CB CYS A 39 -5.945 4.946 2.054 1.00 0.00 C ATOM 557 SG CYS A 39 -6.954 3.452 2.129 1.00 0.00 S ATOM 0 H CYS A 39 -4.917 7.165 2.184 1.00 0.00 H new ATOM 0 HA CYS A 39 -7.074 6.165 0.730 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.182 4.818 1.286 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.424 5.068 3.004 1.00 0.00 H new ATOM 0 HG CYS A 39 -6.181 2.408 2.170 1.00 0.00 H new ATOM 562 N ILE A 40 -9.152 6.189 2.071 1.00 0.00 N ATOM 563 CA ILE A 40 -10.428 6.290 2.773 1.00 0.00 C ATOM 564 C ILE A 40 -10.941 4.938 3.291 1.00 0.00 C ATOM 565 O ILE A 40 -12.133 4.803 3.546 1.00 0.00 O ATOM 566 CB ILE A 40 -11.460 6.979 1.859 1.00 0.00 C ATOM 567 CG1 ILE A 40 -11.678 6.186 0.555 1.00 0.00 C ATOM 568 CG2 ILE A 40 -11.041 8.426 1.560 1.00 0.00 C ATOM 569 CD1 ILE A 40 -12.952 6.617 -0.172 1.00 0.00 C ATOM 0 H ILE A 40 -9.254 6.033 1.068 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.271 6.898 3.664 1.00 0.00 H new ATOM 0 HB ILE A 40 -12.411 7.002 2.390 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -10.820 6.327 -0.103 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -11.733 5.122 0.783 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -11.783 8.894 0.913 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -10.970 8.984 2.493 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -10.072 8.428 1.061 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -13.066 6.032 -1.085 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -13.814 6.451 0.475 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -12.886 7.675 -0.425 1.00 0.00 H new ATOM 581 N ASP A 41 -10.039 3.965 3.447 1.00 0.00 N ATOM 582 CA ASP A 41 -10.285 2.585 3.865 1.00 0.00 C ATOM 583 C ASP A 41 -11.396 1.899 3.055 1.00 0.00 C ATOM 584 O ASP A 41 -12.580 2.054 3.350 1.00 0.00 O ATOM 585 CB ASP A 41 -10.538 2.512 5.374 1.00 0.00 C ATOM 586 CG ASP A 41 -10.216 1.116 5.873 1.00 0.00 C ATOM 587 OD1 ASP A 41 -11.022 0.192 5.645 1.00 0.00 O ATOM 588 OD2 ASP A 41 -9.105 0.995 6.438 1.00 0.00 O ATOM 0 H ASP A 41 -9.049 4.134 3.272 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.379 2.019 3.648 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.922 3.246 5.893 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.578 2.757 5.592 1.00 0.00 H new ATOM 593 N CYS A 42 -11.018 1.152 2.009 1.00 0.00 N ATOM 594 CA CYS A 42 -11.969 0.575 1.067 1.00 0.00 C ATOM 595 C CYS A 42 -11.467 -0.774 0.538 1.00 0.00 C ATOM 596 O CYS A 42 -10.266 -0.990 0.397 1.00 0.00 O ATOM 597 CB CYS A 42 -12.221 1.544 -0.059 1.00 0.00 C ATOM 598 SG CYS A 42 -11.139 1.364 -1.493 1.00 0.00 S ATOM 0 H CYS A 42 -10.044 0.935 1.798 1.00 0.00 H new ATOM 0 HA CYS A 42 -12.911 0.390 1.584 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -13.254 1.431 -0.388 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -12.118 2.558 0.327 1.00 0.00 H new ATOM 0 HG CYS A 42 -11.775 1.731 -2.566 1.00 0.00 H new ATOM 603 N GLY A 43 -12.376 -1.698 0.226 1.00 0.00 N ATOM 604 CA GLY A 43 -12.005 -3.069 -0.099 1.00 0.00 C ATOM 605 C GLY A 43 -11.666 -3.264 -1.578 1.00 0.00 C ATOM 606 O GLY A 43 -12.218 -4.166 -2.203 1.00 0.00 O ATOM 0 H GLY A 43 -13.379 -1.517 0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.146 -3.360 0.506 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.825 -3.735 0.171 1.00 0.00 H new ATOM 610 N ALA A 44 -10.771 -2.440 -2.140 1.00 0.00 N ATOM 611 CA ALA A 44 -10.388 -2.530 -3.551 1.00 0.00 C ATOM 612 C ALA A 44 -8.939 -2.999 -3.714 1.00 0.00 C ATOM 613 O ALA A 44 -8.693 -4.155 -4.056 1.00 0.00 O ATOM 614 CB ALA A 44 -10.655 -1.196 -4.258 1.00 0.00 C ATOM 0 H ALA A 44 -10.295 -1.696 -1.630 1.00 0.00 H new ATOM 0 HA ALA A 44 -11.007 -3.288 -4.031 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -10.366 -1.275 -5.306 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -11.716 -0.955 -4.191 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -10.073 -0.408 -3.780 1.00 0.00 H new ATOM 620 N CYS A 45 -7.981 -2.098 -3.485 1.00 0.00 N ATOM 621 CA CYS A 45 -6.562 -2.315 -3.741 1.00 0.00 C ATOM 622 C CYS A 45 -6.061 -3.656 -3.179 1.00 0.00 C ATOM 623 O CYS A 45 -5.461 -4.428 -3.920 1.00 0.00 O ATOM 624 CB CYS A 45 -5.770 -1.115 -3.280 1.00 0.00 C ATOM 625 SG CYS A 45 -5.895 -0.739 -1.518 1.00 0.00 S ATOM 0 H CYS A 45 -8.180 -1.172 -3.106 1.00 0.00 H new ATOM 0 HA CYS A 45 -6.406 -2.406 -4.816 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.721 -1.276 -3.527 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.100 -0.243 -3.845 1.00 0.00 H new ATOM 0 HG CYS A 45 -5.172 0.307 -1.245 1.00 0.00 H new ATOM 630 N GLU A 46 -6.358 -3.986 -1.916 1.00 0.00 N ATOM 631 CA GLU A 46 -5.981 -5.276 -1.329 1.00 0.00 C ATOM 632 C GLU A 46 -6.552 -6.450 -2.134 1.00 0.00 C ATOM 633 O GLU A 46 -5.848 -7.409 -2.436 1.00 0.00 O ATOM 634 CB GLU A 46 -6.422 -5.337 0.147 1.00 0.00 C ATOM 635 CG GLU A 46 -6.236 -6.701 0.849 1.00 0.00 C ATOM 636 CD GLU A 46 -4.819 -7.284 0.933 1.00 0.00 C ATOM 637 OE1 GLU A 46 -3.881 -6.785 0.271 1.00 0.00 O ATOM 638 OE2 GLU A 46 -4.687 -8.293 1.659 1.00 0.00 O ATOM 0 H GLU A 46 -6.862 -3.371 -1.277 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.895 -5.364 -1.367 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.865 -4.584 0.704 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.475 -5.061 0.204 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.619 -6.608 1.865 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.866 -7.428 0.337 1.00 0.00 H new ATOM 645 N ALA A 47 -7.838 -6.387 -2.494 1.00 0.00 N ATOM 646 CA ALA A 47 -8.470 -7.444 -3.275 1.00 0.00 C ATOM 647 C ALA A 47 -7.815 -7.558 -4.653 1.00 0.00 C ATOM 648 O ALA A 47 -7.733 -8.648 -5.216 1.00 0.00 O ATOM 649 CB ALA A 47 -9.977 -7.190 -3.394 1.00 0.00 C ATOM 0 H ALA A 47 -8.458 -5.613 -2.255 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.328 -8.394 -2.760 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -10.435 -7.987 -3.980 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.422 -7.169 -2.399 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.147 -6.233 -3.888 1.00 0.00 H new ATOM 655 N VAL A 48 -7.360 -6.430 -5.204 1.00 0.00 N ATOM 656 CA VAL A 48 -6.674 -6.393 -6.484 1.00 0.00 C ATOM 657 C VAL A 48 -5.239 -6.923 -6.367 1.00 0.00 C ATOM 658 O VAL A 48 -4.770 -7.593 -7.285 1.00 0.00 O ATOM 659 CB VAL A 48 -6.774 -4.971 -7.059 1.00 0.00 C ATOM 660 CG1 VAL A 48 -5.750 -4.688 -8.161 1.00 0.00 C ATOM 661 CG2 VAL A 48 -8.189 -4.764 -7.615 1.00 0.00 C ATOM 0 H VAL A 48 -7.461 -5.514 -4.766 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.157 -7.066 -7.192 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.558 -4.277 -6.247 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.877 -3.667 -8.522 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.743 -4.809 -7.762 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.900 -5.385 -8.985 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.275 -3.758 -8.027 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.382 -5.495 -8.400 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.917 -4.891 -6.814 1.00 0.00 H new ATOM 671 N CYS A 49 -4.529 -6.626 -5.275 1.00 0.00 N ATOM 672 CA CYS A 49 -3.150 -7.056 -5.091 1.00 0.00 C ATOM 673 C CYS A 49 -3.104 -8.588 -5.017 1.00 0.00 C ATOM 674 O CYS A 49 -3.571 -9.171 -4.037 1.00 0.00 O ATOM 675 CB CYS A 49 -2.558 -6.408 -3.863 1.00 0.00 C ATOM 676 SG CYS A 49 -0.793 -6.631 -3.638 1.00 0.00 S ATOM 0 H CYS A 49 -4.899 -6.080 -4.497 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.544 -6.740 -5.940 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.768 -5.339 -3.902 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.070 -6.802 -2.985 1.00 0.00 H new ATOM 0 HG CYS A 49 -0.414 -6.025 -2.552 1.00 0.00 H new ATOM 681 N PRO A 50 -2.514 -9.285 -6.004 1.00 0.00 N ATOM 682 CA PRO A 50 -2.615 -10.738 -6.129 1.00 0.00 C ATOM 683 C PRO A 50 -1.757 -11.492 -5.102 1.00 0.00 C ATOM 684 O PRO A 50 -1.423 -12.656 -5.313 1.00 0.00 O ATOM 685 CB PRO A 50 -2.167 -11.025 -7.567 1.00 0.00 C ATOM 686 CG PRO A 50 -1.129 -9.933 -7.823 1.00 0.00 C ATOM 687 CD PRO A 50 -1.717 -8.731 -7.086 1.00 0.00 C ATOM 0 HA PRO A 50 -3.628 -11.086 -5.927 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.738 -12.022 -7.665 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.999 -10.965 -8.269 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.149 -10.207 -7.433 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.005 -9.734 -8.887 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.929 -8.084 -6.700 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.330 -8.124 -7.753 1.00 0.00 H new ATOM 695 N VAL A 51 -1.390 -10.833 -4.002 1.00 0.00 N ATOM 696 CA VAL A 51 -0.542 -11.344 -2.943 1.00 0.00 C ATOM 697 C VAL A 51 -1.315 -11.322 -1.617 1.00 0.00 C ATOM 698 O VAL A 51 -1.055 -12.156 -0.754 1.00 0.00 O ATOM 699 CB VAL A 51 0.780 -10.540 -2.895 1.00 0.00 C ATOM 700 CG1 VAL A 51 1.154 -9.917 -4.249 1.00 0.00 C ATOM 701 CG2 VAL A 51 0.764 -9.423 -1.851 1.00 0.00 C ATOM 0 H VAL A 51 -1.697 -9.877 -3.824 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.268 -12.381 -3.135 1.00 0.00 H new ATOM 0 HB VAL A 51 1.528 -11.283 -2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 51 2.090 -9.367 -4.150 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.274 -10.706 -4.992 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.364 -9.236 -4.567 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.718 -8.897 -1.867 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.040 -8.723 -2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.602 -9.852 -0.862 1.00 0.00 H new ATOM 711 N SER A 52 -2.248 -10.369 -1.453 1.00 0.00 N ATOM 712 CA SER A 52 -2.928 -10.071 -0.199 1.00 0.00 C ATOM 713 C SER A 52 -1.908 -9.606 0.851 1.00 0.00 C ATOM 714 O SER A 52 -1.440 -10.403 1.665 1.00 0.00 O ATOM 715 CB SER A 52 -3.781 -11.266 0.259 1.00 0.00 C ATOM 716 OG SER A 52 -4.678 -10.919 1.299 1.00 0.00 O ATOM 0 H SER A 52 -2.554 -9.770 -2.220 1.00 0.00 H new ATOM 0 HA SER A 52 -3.627 -9.248 -0.346 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.345 -11.654 -0.590 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.126 -12.068 0.600 1.00 0.00 H new ATOM 0 HG SER A 52 -4.503 -9.999 1.588 1.00 0.00 H new ATOM 722 N ALA A 53 -1.529 -8.325 0.808 1.00 0.00 N ATOM 723 CA ALA A 53 -0.500 -7.747 1.683 1.00 0.00 C ATOM 724 C ALA A 53 -0.795 -6.308 2.096 1.00 0.00 C ATOM 725 O ALA A 53 -0.088 -5.769 2.952 1.00 0.00 O ATOM 726 CB ALA A 53 0.881 -7.812 1.025 1.00 0.00 C ATOM 0 H ALA A 53 -1.932 -7.651 0.157 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.510 -8.355 2.588 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.624 -7.378 1.694 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.139 -8.851 0.822 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.865 -7.253 0.089 1.00 0.00 H new ATOM 732 N ILE A 54 -1.795 -5.666 1.492 1.00 0.00 N ATOM 733 CA ILE A 54 -2.199 -4.332 1.875 1.00 0.00 C ATOM 734 C ILE A 54 -3.072 -4.466 3.128 1.00 0.00 C ATOM 735 O ILE A 54 -4.278 -4.685 3.036 1.00 0.00 O ATOM 736 CB ILE A 54 -2.905 -3.652 0.691 1.00 0.00 C ATOM 737 CG1 ILE A 54 -1.993 -3.601 -0.543 1.00 0.00 C ATOM 738 CG2 ILE A 54 -3.294 -2.240 1.130 1.00 0.00 C ATOM 739 CD1 ILE A 54 -2.712 -3.087 -1.796 1.00 0.00 C ATOM 0 H ILE A 54 -2.340 -6.063 0.727 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.353 -3.691 2.121 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.790 -4.222 0.410 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.139 -2.958 -0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.600 -4.598 -0.739 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.798 -1.730 0.309 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.964 -2.297 1.988 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.397 -1.685 1.406 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.016 -3.074 -2.635 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.550 -3.744 -2.030 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.082 -2.078 -1.615 1.00 0.00 H new ATOM 751 N TYR A 55 -2.458 -4.364 4.308 1.00 0.00 N ATOM 752 CA TYR A 55 -3.106 -4.609 5.590 1.00 0.00 C ATOM 753 C TYR A 55 -3.270 -3.288 6.318 1.00 0.00 C ATOM 754 O TYR A 55 -2.618 -2.306 5.979 1.00 0.00 O ATOM 755 CB TYR A 55 -2.223 -5.527 6.437 1.00 0.00 C ATOM 756 CG TYR A 55 -1.973 -6.933 5.917 1.00 0.00 C ATOM 757 CD1 TYR A 55 -2.865 -7.574 5.032 1.00 0.00 C ATOM 758 CD2 TYR A 55 -0.788 -7.591 6.301 1.00 0.00 C ATOM 759 CE1 TYR A 55 -2.550 -8.839 4.506 1.00 0.00 C ATOM 760 CE2 TYR A 55 -0.490 -8.866 5.796 1.00 0.00 C ATOM 761 CZ TYR A 55 -1.360 -9.483 4.884 1.00 0.00 C ATOM 762 OH TYR A 55 -1.003 -10.669 4.320 1.00 0.00 O ATOM 0 H TYR A 55 -1.476 -4.103 4.397 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.078 -5.075 5.427 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.257 -5.039 6.566 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.674 -5.609 7.426 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.792 -7.092 4.758 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.106 -7.112 6.987 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.224 -9.317 3.810 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.410 -9.373 6.110 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.037 -10.590 3.344 1.00 0.00 H new ATOM 772 N HIS A 56 -4.111 -3.256 7.350 1.00 0.00 N ATOM 773 CA HIS A 56 -4.238 -2.054 8.155 1.00 0.00 C ATOM 774 C HIS A 56 -2.914 -1.741 8.826 1.00 0.00 C ATOM 775 O HIS A 56 -2.159 -2.651 9.176 1.00 0.00 O ATOM 776 CB HIS A 56 -5.369 -2.191 9.179 1.00 0.00 C ATOM 777 CG HIS A 56 -6.021 -0.870 9.520 1.00 0.00 C ATOM 778 ND1 HIS A 56 -5.775 -0.124 10.644 1.00 0.00 N ATOM 779 CD2 HIS A 56 -6.897 -0.154 8.750 1.00 0.00 C ATOM 780 CE1 HIS A 56 -6.451 1.031 10.537 1.00 0.00 C ATOM 781 NE2 HIS A 56 -7.140 1.071 9.384 1.00 0.00 N ATOM 0 H HIS A 56 -4.702 -4.035 7.641 1.00 0.00 H new ATOM 0 HA HIS A 56 -4.498 -1.221 7.502 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -6.125 -2.873 8.788 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.974 -2.641 10.090 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -5.181 -0.399 11.426 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -7.327 -0.478 7.814 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -6.442 1.819 11.275 1.00 0.00 H new ATOM 789 N GLU A 57 -2.619 -0.457 9.011 1.00 0.00 N ATOM 790 CA GLU A 57 -1.359 -0.064 9.580 1.00 0.00 C ATOM 791 C GLU A 57 -1.074 -0.761 10.899 1.00 0.00 C ATOM 792 O GLU A 57 0.053 -1.180 11.159 1.00 0.00 O ATOM 793 CB GLU A 57 -1.305 1.455 9.760 1.00 0.00 C ATOM 794 CG GLU A 57 -2.464 2.319 9.276 1.00 0.00 C ATOM 795 CD GLU A 57 -2.200 3.789 9.595 1.00 0.00 C ATOM 796 OE1 GLU A 57 -1.266 4.067 10.378 1.00 0.00 O ATOM 797 OE2 GLU A 57 -2.895 4.656 9.028 1.00 0.00 O ATOM 0 H GLU A 57 -3.240 0.316 8.773 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.583 -0.373 8.879 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.176 1.651 10.824 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.404 1.810 9.259 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.597 2.191 8.202 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.390 1.997 9.753 1.00 0.00 H new ATOM 804 N ASP A 58 -2.103 -0.887 11.731 1.00 0.00 N ATOM 805 CA ASP A 58 -1.957 -1.543 13.000 1.00 0.00 C ATOM 806 C ASP A 58 -1.752 -3.046 12.822 1.00 0.00 C ATOM 807 O ASP A 58 -1.037 -3.648 13.628 1.00 0.00 O ATOM 808 CB ASP A 58 -3.122 -1.169 13.910 1.00 0.00 C ATOM 809 CG ASP A 58 -4.372 -1.953 13.584 1.00 0.00 C ATOM 810 OD1 ASP A 58 -4.840 -1.749 12.448 1.00 0.00 O ATOM 811 OD2 ASP A 58 -4.815 -2.743 14.441 1.00 0.00 O ATOM 0 H ASP A 58 -3.042 -0.539 11.538 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.053 -1.194 13.499 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.843 -1.348 14.948 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.328 -0.103 13.815 1.00 0.00 H new ATOM 816 N PHE A 59 -2.294 -3.630 11.742 1.00 0.00 N ATOM 817 CA PHE A 59 -2.216 -5.061 11.502 1.00 0.00 C ATOM 818 C PHE A 59 -0.796 -5.414 11.081 1.00 0.00 C ATOM 819 O PHE A 59 -0.278 -6.466 11.447 1.00 0.00 O ATOM 820 CB PHE A 59 -3.184 -5.471 10.384 1.00 0.00 C ATOM 821 CG PHE A 59 -4.657 -5.625 10.713 1.00 0.00 C ATOM 822 CD1 PHE A 59 -5.231 -5.006 11.840 1.00 0.00 C ATOM 823 CD2 PHE A 59 -5.477 -6.354 9.830 1.00 0.00 C ATOM 824 CE1 PHE A 59 -6.614 -5.089 12.065 1.00 0.00 C ATOM 825 CE2 PHE A 59 -6.859 -6.455 10.067 1.00 0.00 C ATOM 826 CZ PHE A 59 -7.430 -5.815 11.180 1.00 0.00 C ATOM 0 H PHE A 59 -2.796 -3.116 11.018 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.486 -5.590 12.416 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.099 -4.733 9.587 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.836 -6.420 9.977 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.605 -4.465 12.534 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.042 -6.837 8.967 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.052 -4.594 12.919 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.482 -7.025 9.393 1.00 0.00 H new ATOM 0 HZ PHE A 59 -8.494 -5.881 11.355 1.00 0.00 H new ATOM 836 N VAL A 60 -0.182 -4.548 10.272 1.00 0.00 N ATOM 837 CA VAL A 60 1.183 -4.742 9.817 1.00 0.00 C ATOM 838 C VAL A 60 2.108 -4.953 11.029 1.00 0.00 C ATOM 839 O VAL A 60 2.103 -4.108 11.924 1.00 0.00 O ATOM 840 CB VAL A 60 1.595 -3.549 8.937 1.00 0.00 C ATOM 841 CG1 VAL A 60 3.106 -3.570 8.702 1.00 0.00 C ATOM 842 CG2 VAL A 60 0.827 -3.656 7.612 1.00 0.00 C ATOM 0 H VAL A 60 -0.621 -3.698 9.919 1.00 0.00 H new ATOM 0 HA VAL A 60 1.266 -5.639 9.203 1.00 0.00 H new ATOM 0 HB VAL A 60 1.353 -2.605 9.426 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.389 -2.722 8.078 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.624 -3.505 9.659 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.383 -4.498 8.201 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.099 -2.822 6.965 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.081 -4.595 7.119 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.245 -3.628 7.809 1.00 0.00 H new ATOM 852 N PRO A 61 2.879 -6.055 11.102 1.00 0.00 N ATOM 853 CA PRO A 61 3.813 -6.303 12.195 1.00 0.00 C ATOM 854 C PRO A 61 4.785 -5.139 12.400 1.00 0.00 C ATOM 855 O PRO A 61 5.196 -4.501 11.435 1.00 0.00 O ATOM 856 CB PRO A 61 4.571 -7.578 11.815 1.00 0.00 C ATOM 857 CG PRO A 61 3.594 -8.316 10.903 1.00 0.00 C ATOM 858 CD PRO A 61 2.869 -7.182 10.181 1.00 0.00 C ATOM 0 HA PRO A 61 3.278 -6.410 13.138 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.506 -7.351 11.302 1.00 0.00 H new ATOM 0 HB3 PRO A 61 4.825 -8.171 12.694 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.112 -8.972 10.204 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.903 -8.938 11.472 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.371 -6.929 9.247 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.849 -7.470 9.926 1.00 0.00 H new ATOM 866 N GLU A 62 5.157 -4.866 13.648 1.00 0.00 N ATOM 867 CA GLU A 62 6.082 -3.870 14.118 1.00 0.00 C ATOM 868 C GLU A 62 7.335 -3.764 13.238 1.00 0.00 C ATOM 869 O GLU A 62 7.710 -2.665 12.835 1.00 0.00 O ATOM 870 CB GLU A 62 6.387 -4.310 15.553 1.00 0.00 C ATOM 871 CG GLU A 62 5.353 -3.825 16.586 1.00 0.00 C ATOM 872 CD GLU A 62 3.918 -4.218 16.257 1.00 0.00 C ATOM 873 OE1 GLU A 62 3.715 -5.368 15.817 1.00 0.00 O ATOM 874 OE2 GLU A 62 3.039 -3.334 16.356 1.00 0.00 O ATOM 0 H GLU A 62 4.770 -5.400 14.426 1.00 0.00 H new ATOM 0 HA GLU A 62 5.670 -2.862 14.077 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.437 -5.398 15.586 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.371 -3.937 15.836 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.614 -4.229 17.564 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.413 -2.739 16.663 1.00 0.00 H new ATOM 881 N GLU A 63 7.958 -4.890 12.893 1.00 0.00 N ATOM 882 CA GLU A 63 9.082 -4.950 11.967 1.00 0.00 C ATOM 883 C GLU A 63 8.794 -4.139 10.697 1.00 0.00 C ATOM 884 O GLU A 63 9.639 -3.392 10.199 1.00 0.00 O ATOM 885 CB GLU A 63 9.374 -6.411 11.599 1.00 0.00 C ATOM 886 CG GLU A 63 9.628 -7.331 12.806 1.00 0.00 C ATOM 887 CD GLU A 63 8.380 -8.075 13.279 1.00 0.00 C ATOM 888 OE1 GLU A 63 7.406 -7.384 13.650 1.00 0.00 O ATOM 889 OE2 GLU A 63 8.416 -9.323 13.246 1.00 0.00 O ATOM 0 H GLU A 63 7.688 -5.803 13.258 1.00 0.00 H new ATOM 0 HA GLU A 63 9.954 -4.517 12.457 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.533 -6.804 11.028 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.245 -6.441 10.945 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.397 -8.058 12.543 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.021 -6.736 13.630 1.00 0.00 H new ATOM 896 N TRP A 64 7.582 -4.303 10.169 1.00 0.00 N ATOM 897 CA TRP A 64 7.117 -3.691 8.942 1.00 0.00 C ATOM 898 C TRP A 64 6.315 -2.411 9.195 1.00 0.00 C ATOM 899 O TRP A 64 6.049 -1.688 8.239 1.00 0.00 O ATOM 900 CB TRP A 64 6.337 -4.736 8.137 1.00 0.00 C ATOM 901 CG TRP A 64 7.132 -5.857 7.529 1.00 0.00 C ATOM 902 CD1 TRP A 64 8.472 -5.874 7.328 1.00 0.00 C ATOM 903 CD2 TRP A 64 6.634 -7.106 6.953 1.00 0.00 C ATOM 904 NE1 TRP A 64 8.827 -7.029 6.668 1.00 0.00 N ATOM 905 CE2 TRP A 64 7.741 -7.833 6.427 1.00 0.00 C ATOM 906 CE3 TRP A 64 5.356 -7.680 6.776 1.00 0.00 C ATOM 907 CZ2 TRP A 64 7.596 -9.053 5.755 1.00 0.00 C ATOM 908 CZ3 TRP A 64 5.193 -8.891 6.073 1.00 0.00 C ATOM 909 CH2 TRP A 64 6.309 -9.560 5.538 1.00 0.00 C ATOM 0 H TRP A 64 6.874 -4.891 10.608 1.00 0.00 H new ATOM 0 HA TRP A 64 7.976 -3.367 8.354 1.00 0.00 H new ATOM 0 HB2 TRP A 64 5.580 -5.172 8.790 1.00 0.00 H new ATOM 0 HB3 TRP A 64 5.808 -4.221 7.335 1.00 0.00 H new ATOM 0 HD1 TRP A 64 9.157 -5.099 7.638 1.00 0.00 H new ATOM 0 HE1 TRP A 64 9.781 -7.259 6.392 1.00 0.00 H new ATOM 0 HE3 TRP A 64 4.489 -7.183 7.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 8.464 -9.595 5.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 4.205 -9.308 5.944 1.00 0.00 H new ATOM 0 HH2 TRP A 64 6.173 -10.463 4.961 1.00 0.00 H new ATOM 920 N LYS A 65 5.995 -2.043 10.443 1.00 0.00 N ATOM 921 CA LYS A 65 5.429 -0.749 10.757 1.00 0.00 C ATOM 922 C LYS A 65 6.372 0.373 10.286 1.00 0.00 C ATOM 923 O LYS A 65 5.929 1.484 9.994 1.00 0.00 O ATOM 924 CB LYS A 65 5.087 -0.719 12.250 1.00 0.00 C ATOM 925 CG LYS A 65 3.733 -1.388 12.546 1.00 0.00 C ATOM 926 CD LYS A 65 3.226 -1.055 13.961 1.00 0.00 C ATOM 927 CE LYS A 65 1.758 -1.463 14.183 1.00 0.00 C ATOM 928 NZ LYS A 65 1.550 -2.926 14.239 1.00 0.00 N ATOM 0 H LYS A 65 6.126 -2.644 11.256 1.00 0.00 H new ATOM 0 HA LYS A 65 4.498 -0.575 10.218 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.872 -1.225 12.812 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.064 0.314 12.596 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.998 -1.061 11.811 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.831 -2.468 12.440 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.853 -1.561 14.695 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.331 0.016 14.136 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.403 -1.019 15.113 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.149 -1.049 13.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.541 -3.139 14.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.107 -3.385 13.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.855 -3.285 15.166 1.00 0.00 H new ATOM 942 N SER A 66 7.663 0.076 10.118 1.00 0.00 N ATOM 943 CA SER A 66 8.606 0.960 9.453 1.00 0.00 C ATOM 944 C SER A 66 8.037 1.451 8.109 1.00 0.00 C ATOM 945 O SER A 66 8.113 2.638 7.784 1.00 0.00 O ATOM 946 CB SER A 66 9.930 0.217 9.273 1.00 0.00 C ATOM 947 OG SER A 66 10.141 -0.676 10.356 1.00 0.00 O ATOM 0 H SER A 66 8.081 -0.795 10.445 1.00 0.00 H new ATOM 0 HA SER A 66 8.780 1.847 10.063 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.921 -0.335 8.333 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.751 0.931 9.215 1.00 0.00 H new ATOM 0 HG SER A 66 9.898 -1.585 10.082 1.00 0.00 H new ATOM 953 N TYR A 67 7.420 0.549 7.335 1.00 0.00 N ATOM 954 CA TYR A 67 6.770 0.925 6.090 1.00 0.00 C ATOM 955 C TYR A 67 5.594 1.856 6.332 1.00 0.00 C ATOM 956 O TYR A 67 5.341 2.701 5.488 1.00 0.00 O ATOM 957 CB TYR A 67 6.247 -0.278 5.304 1.00 0.00 C ATOM 958 CG TYR A 67 7.305 -1.089 4.584 1.00 0.00 C ATOM 959 CD1 TYR A 67 7.848 -0.600 3.382 1.00 0.00 C ATOM 960 CD2 TYR A 67 7.719 -2.340 5.081 1.00 0.00 C ATOM 961 CE1 TYR A 67 8.806 -1.354 2.685 1.00 0.00 C ATOM 962 CE2 TYR A 67 8.676 -3.095 4.379 1.00 0.00 C ATOM 963 CZ TYR A 67 9.226 -2.597 3.183 1.00 0.00 C ATOM 964 OH TYR A 67 10.164 -3.298 2.491 1.00 0.00 O ATOM 0 H TYR A 67 7.362 -0.445 7.556 1.00 0.00 H new ATOM 0 HA TYR A 67 7.545 1.426 5.509 1.00 0.00 H new ATOM 0 HB2 TYR A 67 5.713 -0.935 5.990 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.522 0.075 4.571 1.00 0.00 H new ATOM 0 HD1 TYR A 67 7.528 0.356 2.995 1.00 0.00 H new ATOM 0 HD2 TYR A 67 7.301 -2.720 6.002 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.221 -0.976 1.762 1.00 0.00 H new ATOM 0 HE2 TYR A 67 8.989 -4.057 4.758 1.00 0.00 H new ATOM 0 HH TYR A 67 10.508 -4.025 3.051 1.00 0.00 H new ATOM 974 N ILE A 68 4.838 1.710 7.419 1.00 0.00 N ATOM 975 CA ILE A 68 3.698 2.566 7.678 1.00 0.00 C ATOM 976 C ILE A 68 4.236 3.975 7.873 1.00 0.00 C ATOM 977 O ILE A 68 3.740 4.923 7.265 1.00 0.00 O ATOM 978 CB ILE A 68 2.925 2.012 8.886 1.00 0.00 C ATOM 979 CG1 ILE A 68 2.039 0.820 8.503 1.00 0.00 C ATOM 980 CG2 ILE A 68 2.079 3.090 9.557 1.00 0.00 C ATOM 981 CD1 ILE A 68 2.713 -0.233 7.629 1.00 0.00 C ATOM 0 H ILE A 68 5.002 1.001 8.134 1.00 0.00 H new ATOM 0 HA ILE A 68 2.984 2.594 6.855 1.00 0.00 H new ATOM 0 HB ILE A 68 3.676 1.666 9.597 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.687 0.340 9.416 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.159 1.195 7.980 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.548 2.660 10.406 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.725 3.896 9.904 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.359 3.485 8.841 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.006 -1.034 7.413 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.040 0.224 6.695 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.576 -0.643 8.154 1.00 0.00 H new ATOM 993 N GLN A 69 5.299 4.102 8.672 1.00 0.00 N ATOM 994 CA GLN A 69 5.961 5.382 8.825 1.00 0.00 C ATOM 995 C GLN A 69 6.414 5.907 7.460 1.00 0.00 C ATOM 996 O GLN A 69 6.169 7.063 7.137 1.00 0.00 O ATOM 997 CB GLN A 69 7.118 5.278 9.827 1.00 0.00 C ATOM 998 CG GLN A 69 7.594 6.669 10.272 1.00 0.00 C ATOM 999 CD GLN A 69 6.507 7.427 11.029 1.00 0.00 C ATOM 1000 OE1 GLN A 69 5.961 8.410 10.538 1.00 0.00 O ATOM 1001 NE2 GLN A 69 6.161 6.961 12.225 1.00 0.00 N ATOM 0 H GLN A 69 5.709 3.340 9.213 1.00 0.00 H new ATOM 0 HA GLN A 69 5.256 6.105 9.234 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.799 4.704 10.697 1.00 0.00 H new ATOM 0 HB3 GLN A 69 7.947 4.735 9.374 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.474 6.566 10.907 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.897 7.246 9.398 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.632 6.142 12.609 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.425 7.423 12.759 1.00 0.00 H new ATOM 1010 N LYS A 70 7.045 5.072 6.632 1.00 0.00 N ATOM 1011 CA LYS A 70 7.533 5.513 5.331 1.00 0.00 C ATOM 1012 C LYS A 70 6.395 6.000 4.439 1.00 0.00 C ATOM 1013 O LYS A 70 6.521 7.029 3.770 1.00 0.00 O ATOM 1014 CB LYS A 70 8.301 4.370 4.656 1.00 0.00 C ATOM 1015 CG LYS A 70 8.915 4.694 3.286 1.00 0.00 C ATOM 1016 CD LYS A 70 10.208 5.529 3.263 1.00 0.00 C ATOM 1017 CE LYS A 70 10.100 7.020 3.628 1.00 0.00 C ATOM 1018 NZ LYS A 70 9.023 7.741 2.913 1.00 0.00 N ATOM 0 H LYS A 70 7.228 4.091 6.841 1.00 0.00 H new ATOM 0 HA LYS A 70 8.205 6.357 5.484 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.100 4.050 5.325 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.625 3.523 4.539 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.115 3.751 2.776 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.164 5.222 2.698 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.919 5.066 3.948 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.636 5.458 2.263 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.932 7.109 4.701 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.052 7.505 3.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.149 8.766 3.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.062 7.508 1.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.100 7.456 3.298 1.00 0.00 H new ATOM 1032 N ASN A 71 5.322 5.220 4.390 1.00 0.00 N ATOM 1033 CA ASN A 71 4.123 5.531 3.627 1.00 0.00 C ATOM 1034 C ASN A 71 3.469 6.825 4.119 1.00 0.00 C ATOM 1035 O ASN A 71 3.027 7.631 3.307 1.00 0.00 O ATOM 1036 CB ASN A 71 3.160 4.347 3.657 1.00 0.00 C ATOM 1037 CG ASN A 71 3.492 3.302 2.592 1.00 0.00 C ATOM 1038 OD1 ASN A 71 4.424 2.404 2.886 1.00 0.00 O flip ATOM 1039 ND2 ASN A 71 2.925 3.286 1.505 1.00 0.00 N flip ATOM 0 H ASN A 71 5.262 4.334 4.892 1.00 0.00 H new ATOM 0 HA ASN A 71 4.404 5.704 2.588 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.191 3.881 4.642 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.142 4.706 3.506 1.00 0.00 H new ATOM 0 HD21 ASN A 71 2.211 3.982 1.292 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.168 2.577 0.814 1.00 0.00 H new ATOM 1046 N ARG A 72 3.430 7.054 5.436 1.00 0.00 N ATOM 1047 CA ARG A 72 2.979 8.300 6.023 1.00 0.00 C ATOM 1048 C ARG A 72 3.836 9.424 5.455 1.00 0.00 C ATOM 1049 O ARG A 72 3.349 10.332 4.776 1.00 0.00 O ATOM 1050 CB ARG A 72 3.143 8.185 7.542 1.00 0.00 C ATOM 1051 CG ARG A 72 2.495 9.329 8.322 1.00 0.00 C ATOM 1052 CD ARG A 72 1.550 8.731 9.353 1.00 0.00 C ATOM 1053 NE ARG A 72 0.394 8.129 8.673 1.00 0.00 N ATOM 1054 CZ ARG A 72 -0.357 7.119 9.143 1.00 0.00 C ATOM 1055 NH1 ARG A 72 0.146 6.265 10.037 1.00 0.00 N ATOM 1056 NH2 ARG A 72 -1.608 6.972 8.717 1.00 0.00 N ATOM 0 H ARG A 72 3.718 6.361 6.127 1.00 0.00 H new ATOM 0 HA ARG A 72 1.934 8.510 5.795 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.711 7.241 7.874 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.206 8.151 7.782 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.258 9.934 8.812 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.951 9.989 7.646 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.070 7.977 9.944 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.215 9.503 10.046 1.00 0.00 H new ATOM 0 HE ARG A 72 0.139 8.512 7.763 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.105 6.378 10.367 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.428 5.500 10.391 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.995 7.625 8.035 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.181 6.206 9.072 1.00 0.00 H new ATOM 1070 N ASP A 73 5.128 9.299 5.754 1.00 0.00 N ATOM 1071 CA ASP A 73 6.187 10.262 5.555 1.00 0.00 C ATOM 1072 C ASP A 73 6.252 10.768 4.125 1.00 0.00 C ATOM 1073 O ASP A 73 6.300 11.980 3.916 1.00 0.00 O ATOM 1074 CB ASP A 73 7.472 9.524 5.937 1.00 0.00 C ATOM 1075 CG ASP A 73 8.714 10.234 5.441 1.00 0.00 C ATOM 1076 OD1 ASP A 73 9.201 11.136 6.147 1.00 0.00 O ATOM 1077 OD2 ASP A 73 9.127 9.937 4.301 1.00 0.00 O ATOM 0 H ASP A 73 5.482 8.442 6.179 1.00 0.00 H new ATOM 0 HA ASP A 73 6.023 11.153 6.161 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.522 9.425 7.021 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.445 8.515 5.525 1.00 0.00 H new ATOM 1082 N PHE A 74 6.266 9.824 3.180 1.00 0.00 N ATOM 1083 CA PHE A 74 6.466 10.054 1.755 1.00 0.00 C ATOM 1084 C PHE A 74 5.804 11.331 1.248 1.00 0.00 C ATOM 1085 O PHE A 74 6.395 12.065 0.462 1.00 0.00 O ATOM 1086 CB PHE A 74 5.954 8.860 0.956 1.00 0.00 C ATOM 1087 CG PHE A 74 7.023 8.006 0.316 1.00 0.00 C ATOM 1088 CD1 PHE A 74 7.803 8.561 -0.715 1.00 0.00 C ATOM 1089 CD2 PHE A 74 7.093 6.628 0.579 1.00 0.00 C ATOM 1090 CE1 PHE A 74 8.661 7.744 -1.466 1.00 0.00 C ATOM 1091 CE2 PHE A 74 8.040 5.838 -0.093 1.00 0.00 C ATOM 1092 CZ PHE A 74 8.829 6.394 -1.113 1.00 0.00 C ATOM 0 H PHE A 74 6.132 8.837 3.402 1.00 0.00 H new ATOM 0 HA PHE A 74 7.540 10.176 1.611 1.00 0.00 H new ATOM 0 HB2 PHE A 74 5.357 8.231 1.616 1.00 0.00 H new ATOM 0 HB3 PHE A 74 5.288 9.225 0.175 1.00 0.00 H new ATOM 0 HD1 PHE A 74 7.741 9.618 -0.929 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.421 6.178 1.295 1.00 0.00 H new ATOM 0 HE1 PHE A 74 9.191 8.152 -2.314 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.162 4.799 0.176 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.562 5.787 -1.624 1.00 0.00 H new ATOM 1102 N PHE A 75 4.549 11.529 1.645 1.00 0.00 N ATOM 1103 CA PHE A 75 3.695 12.568 1.100 1.00 0.00 C ATOM 1104 C PHE A 75 3.409 13.654 2.133 1.00 0.00 C ATOM 1105 O PHE A 75 2.699 14.604 1.815 1.00 0.00 O ATOM 1106 CB PHE A 75 2.401 11.931 0.591 1.00 0.00 C ATOM 1107 CG PHE A 75 2.594 10.566 -0.046 1.00 0.00 C ATOM 1108 CD1 PHE A 75 3.238 10.462 -1.292 1.00 0.00 C ATOM 1109 CD2 PHE A 75 2.325 9.401 0.698 1.00 0.00 C ATOM 1110 CE1 PHE A 75 3.611 9.201 -1.785 1.00 0.00 C ATOM 1111 CE2 PHE A 75 2.629 8.137 0.171 1.00 0.00 C ATOM 1112 CZ PHE A 75 3.300 8.039 -1.056 1.00 0.00 C ATOM 0 H PHE A 75 4.096 10.963 2.363 1.00 0.00 H new ATOM 0 HA PHE A 75 4.208 13.053 0.270 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.703 11.837 1.423 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.941 12.599 -0.137 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.445 11.351 -1.869 1.00 0.00 H new ATOM 0 HD2 PHE A 75 1.882 9.481 1.680 1.00 0.00 H new ATOM 0 HE1 PHE A 75 4.137 9.123 -2.725 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.347 7.243 0.708 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.579 7.070 -1.442 1.00 0.00 H new ATOM 1122 N LYS A 76 3.889 13.509 3.377 1.00 0.00 N ATOM 1123 CA LYS A 76 3.564 14.476 4.417 1.00 0.00 C ATOM 1124 C LYS A 76 4.495 15.685 4.327 1.00 0.00 C ATOM 1125 O LYS A 76 4.069 16.808 4.587 1.00 0.00 O ATOM 1126 CB LYS A 76 3.595 13.816 5.807 1.00 0.00 C ATOM 1127 CG LYS A 76 2.209 13.764 6.483 1.00 0.00 C ATOM 1128 CD LYS A 76 1.419 12.483 6.178 1.00 0.00 C ATOM 1129 CE LYS A 76 0.844 12.355 4.758 1.00 0.00 C ATOM 1130 NZ LYS A 76 0.702 10.939 4.369 1.00 0.00 N ATOM 0 H LYS A 76 4.492 12.743 3.677 1.00 0.00 H new ATOM 0 HA LYS A 76 2.547 14.836 4.261 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.985 12.803 5.713 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.285 14.365 6.448 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.338 13.852 7.562 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.625 14.626 6.160 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.070 11.628 6.361 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.595 12.413 6.888 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.127 12.848 4.710 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.497 12.866 4.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.492 10.878 3.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.588 10.433 4.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.074 10.507 4.910 1.00 0.00 H new ATOM 1144 N LYS A 77 5.762 15.454 3.985 1.00 0.00 N ATOM 1145 CA LYS A 77 6.805 16.439 3.852 1.00 0.00 C ATOM 1146 C LYS A 77 7.939 15.740 3.108 1.00 0.00 C ATOM 1147 O LYS A 77 8.912 16.420 2.728 1.00 0.00 O ATOM 1148 CB LYS A 77 7.232 16.905 5.248 1.00 0.00 C ATOM 1149 CG LYS A 77 7.742 15.790 6.176 1.00 0.00 C ATOM 1150 CD LYS A 77 9.250 15.533 6.006 1.00 0.00 C ATOM 1151 CE LYS A 77 9.575 14.038 6.027 1.00 0.00 C ATOM 1152 NZ LYS A 77 9.121 13.335 4.810 1.00 0.00 N ATOM 1153 OXT LYS A 77 7.849 14.492 3.023 1.00 0.00 O ATOM 0 H LYS A 77 6.096 14.511 3.783 1.00 0.00 H new ATOM 0 HA LYS A 77 6.489 17.327 3.305 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.016 17.655 5.141 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.384 17.396 5.726 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.536 16.060 7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.194 14.871 5.971 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.589 15.966 5.065 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.797 16.036 6.804 1.00 0.00 H new ATOM 0 HE2 LYS A 77 10.652 13.907 6.136 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.108 13.582 6.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.840 12.364 5.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.308 13.838 4.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.895 13.307 4.116 1.00 0.00 H new