USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 703 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 NoAdj-H: A 27 HIS HE2 : A 27 HIS NE2 : A 191 ZNZN :(H bumps) USER MOD NoAdj-H: A 31 HIS HE2 : A 31 HIS NE2 : A 191 ZNZN :(H bumps) USER MOD NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 241 ZNZN :(H bumps) USER MOD NoAdj-H: A 59 HIS HE2 : A 59 HIS NE2 : A 241 ZNZN :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 291 ZNZN :(H bumps) USER MOD NoAdj-H: A 87 HIS HE2 : A 87 HIS NE2 : A 291 ZNZN :(H bumps) USER MOD Set 1.1: A 44 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -98:sc= 0.0378 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 32:sc= 0.174 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -143:sc= -0.0331 (180deg=-1.7!) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -120:sc= -0.74 USER MOD Single : A 35 LYS NZ :NH3+ 140:sc= -0.0167 (180deg=-0.292) USER MOD Single : A 37 TYR OH : rot -170:sc= -0.273 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 178:sc= -0.192 (180deg=-0.226) USER MOD Single : A 68 GLN : amide:sc= -0.424 K(o=-0.42,f=-2.4) USER MOD Single : A 72 TYR OH : rot 150:sc= -0.425 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.184 X(o=-0.18,f=0) USER MOD Single : A 77 SER OG : rot -52:sc= 1.82 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 41:sc= 0.407 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 41:sc= 0.915 USER MOD Single : A 95 SER OG : rot 24:sc= 0.37 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.150 17.329 -26.284 1.00 0.00 N ATOM 2 CA GLY A 1 -15.795 16.834 -26.439 1.00 0.00 C ATOM 3 C GLY A 1 -15.366 15.946 -25.288 1.00 0.00 C ATOM 4 O GLY A 1 -15.881 16.067 -24.177 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.801 16.737 -26.839 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.420 17.294 -25.280 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.202 18.311 -26.622 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.720 16.275 -27.372 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.110 17.678 -26.517 1.00 0.00 H new ATOM 8 N SER A 2 -14.422 15.049 -25.554 1.00 0.00 N ATOM 9 CA SER A 2 -13.928 14.133 -24.532 1.00 0.00 C ATOM 10 C SER A 2 -12.407 14.029 -24.585 1.00 0.00 C ATOM 11 O SER A 2 -11.785 14.372 -25.591 1.00 0.00 O ATOM 12 CB SER A 2 -14.552 12.748 -24.715 1.00 0.00 C ATOM 13 OG SER A 2 -14.117 12.148 -25.923 1.00 0.00 O ATOM 0 H SER A 2 -13.984 14.937 -26.468 1.00 0.00 H new ATOM 0 HA SER A 2 -14.214 14.527 -23.557 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.284 12.111 -23.872 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.639 12.833 -24.718 1.00 0.00 H new ATOM 0 HG SER A 2 -14.528 11.263 -26.016 1.00 0.00 H new ATOM 19 N SER A 3 -11.814 13.554 -23.495 1.00 0.00 N ATOM 20 CA SER A 3 -10.366 13.408 -23.414 1.00 0.00 C ATOM 21 C SER A 3 -9.962 12.701 -22.123 1.00 0.00 C ATOM 22 O SER A 3 -10.627 12.832 -21.096 1.00 0.00 O ATOM 23 CB SER A 3 -9.689 14.777 -23.492 1.00 0.00 C ATOM 24 OG SER A 3 -8.345 14.658 -23.928 1.00 0.00 O ATOM 0 H SER A 3 -12.315 13.263 -22.655 1.00 0.00 H new ATOM 0 HA SER A 3 -10.039 12.800 -24.258 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.241 15.421 -24.177 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.716 15.256 -22.513 1.00 0.00 H new ATOM 0 HG SER A 3 -7.935 15.547 -23.971 1.00 0.00 H new ATOM 30 N GLY A 4 -8.866 11.950 -22.184 1.00 0.00 N ATOM 31 CA GLY A 4 -8.392 11.234 -21.015 1.00 0.00 C ATOM 32 C GLY A 4 -7.280 10.257 -21.345 1.00 0.00 C ATOM 33 O GLY A 4 -7.324 9.581 -22.372 1.00 0.00 O ATOM 0 H GLY A 4 -8.299 11.825 -23.022 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.035 11.950 -20.274 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.223 10.694 -20.562 1.00 0.00 H new ATOM 37 N SER A 5 -6.281 10.184 -20.472 1.00 0.00 N ATOM 38 CA SER A 5 -5.149 9.287 -20.679 1.00 0.00 C ATOM 39 C SER A 5 -4.517 8.895 -19.347 1.00 0.00 C ATOM 40 O SER A 5 -3.943 9.731 -18.649 1.00 0.00 O ATOM 41 CB SER A 5 -4.103 9.950 -21.577 1.00 0.00 C ATOM 42 OG SER A 5 -2.988 9.098 -21.776 1.00 0.00 O ATOM 0 H SER A 5 -6.232 10.735 -19.615 1.00 0.00 H new ATOM 0 HA SER A 5 -5.517 8.384 -21.167 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.551 10.199 -22.539 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.773 10.886 -21.127 1.00 0.00 H new ATOM 0 HG SER A 5 -2.335 9.544 -22.354 1.00 0.00 H new ATOM 48 N SER A 6 -4.627 7.616 -19.001 1.00 0.00 N ATOM 49 CA SER A 6 -4.070 7.111 -17.751 1.00 0.00 C ATOM 50 C SER A 6 -3.695 5.638 -17.879 1.00 0.00 C ATOM 51 O SER A 6 -4.512 4.811 -18.283 1.00 0.00 O ATOM 52 CB SER A 6 -5.072 7.297 -16.610 1.00 0.00 C ATOM 53 OG SER A 6 -4.899 8.555 -15.980 1.00 0.00 O ATOM 0 H SER A 6 -5.097 6.911 -19.569 1.00 0.00 H new ATOM 0 HA SER A 6 -3.167 7.679 -17.528 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.088 7.217 -16.997 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.946 6.500 -15.878 1.00 0.00 H new ATOM 0 HG SER A 6 -4.584 9.210 -16.638 1.00 0.00 H new ATOM 59 N GLY A 7 -2.453 5.317 -17.532 1.00 0.00 N ATOM 60 CA GLY A 7 -1.990 3.944 -17.615 1.00 0.00 C ATOM 61 C GLY A 7 -0.981 3.607 -16.536 1.00 0.00 C ATOM 62 O GLY A 7 0.195 3.365 -16.809 1.00 0.00 O ATOM 0 H GLY A 7 -1.758 5.983 -17.195 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.843 3.270 -17.534 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.542 3.773 -18.594 1.00 0.00 H new ATOM 66 N PRO A 8 -1.440 3.588 -15.275 1.00 0.00 N ATOM 67 CA PRO A 8 -0.584 3.280 -14.126 1.00 0.00 C ATOM 68 C PRO A 8 -0.158 1.816 -14.096 1.00 0.00 C ATOM 69 O PRO A 8 -0.343 1.085 -15.070 1.00 0.00 O ATOM 70 CB PRO A 8 -1.475 3.602 -12.924 1.00 0.00 C ATOM 71 CG PRO A 8 -2.867 3.448 -13.432 1.00 0.00 C ATOM 72 CD PRO A 8 -2.829 3.866 -14.876 1.00 0.00 C ATOM 0 HA PRO A 8 0.347 3.846 -14.148 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.279 2.924 -12.093 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.297 4.613 -12.559 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.207 2.417 -13.333 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.561 4.068 -12.864 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.541 3.300 -15.477 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.078 4.920 -14.996 1.00 0.00 H new ATOM 80 N HIS A 9 0.412 1.393 -12.972 1.00 0.00 N ATOM 81 CA HIS A 9 0.863 0.015 -12.815 1.00 0.00 C ATOM 82 C HIS A 9 -0.285 -0.886 -12.371 1.00 0.00 C ATOM 83 O HIS A 9 -0.631 -0.931 -11.190 1.00 0.00 O ATOM 84 CB HIS A 9 2.006 -0.058 -11.802 1.00 0.00 C ATOM 85 CG HIS A 9 3.349 0.243 -12.391 1.00 0.00 C ATOM 86 ND1 HIS A 9 4.473 -0.512 -12.128 1.00 0.00 N ATOM 87 CD2 HIS A 9 3.746 1.224 -13.235 1.00 0.00 C ATOM 88 CE1 HIS A 9 5.503 -0.008 -12.785 1.00 0.00 C ATOM 89 NE2 HIS A 9 5.088 1.046 -13.465 1.00 0.00 N ATOM 0 H HIS A 9 0.572 1.985 -12.157 1.00 0.00 H new ATOM 0 HA HIS A 9 1.222 -0.336 -13.782 1.00 0.00 H new ATOM 0 HB2 HIS A 9 1.808 0.644 -10.992 1.00 0.00 H new ATOM 0 HB3 HIS A 9 2.027 -1.055 -11.362 1.00 0.00 H new ATOM 0 HD2 HIS A 9 3.123 2.002 -13.650 1.00 0.00 H new ATOM 0 HE1 HIS A 9 6.512 -0.392 -12.769 1.00 0.00 H new ATOM 0 HE2 HIS A 9 5.670 1.632 -14.064 1.00 0.00 H new ATOM 97 N LYS A 10 -0.873 -1.600 -13.324 1.00 0.00 N ATOM 98 CA LYS A 10 -1.983 -2.500 -13.032 1.00 0.00 C ATOM 99 C LYS A 10 -1.488 -3.931 -12.848 1.00 0.00 C ATOM 100 O LYS A 10 -0.637 -4.407 -13.600 1.00 0.00 O ATOM 101 CB LYS A 10 -3.018 -2.448 -14.158 1.00 0.00 C ATOM 102 CG LYS A 10 -2.768 -3.461 -15.262 1.00 0.00 C ATOM 103 CD LYS A 10 -3.728 -3.268 -16.423 1.00 0.00 C ATOM 104 CE LYS A 10 -5.106 -3.829 -16.107 1.00 0.00 C ATOM 105 NZ LYS A 10 -5.892 -4.099 -17.343 1.00 0.00 N ATOM 0 H LYS A 10 -0.600 -1.573 -14.306 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.449 -2.173 -12.103 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.009 -2.619 -13.737 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.023 -1.447 -14.589 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.742 -3.367 -15.618 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.876 -4.470 -14.863 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.811 -2.206 -16.655 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.329 -3.758 -17.311 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.000 -4.751 -15.535 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.649 -3.124 -15.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.825 -4.480 -17.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.015 -3.215 -17.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.386 -4.791 -17.932 1.00 0.00 H new ATOM 119 N CYS A 11 -2.028 -4.614 -11.844 1.00 0.00 N ATOM 120 CA CYS A 11 -1.643 -5.992 -11.561 1.00 0.00 C ATOM 121 C CYS A 11 -2.043 -6.915 -12.708 1.00 0.00 C ATOM 122 O CYS A 11 -2.837 -6.541 -13.570 1.00 0.00 O ATOM 123 CB CYS A 11 -2.291 -6.467 -10.259 1.00 0.00 C ATOM 124 SG CYS A 11 -1.335 -7.741 -9.375 1.00 0.00 S ATOM 0 H CYS A 11 -2.734 -4.236 -11.212 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.559 -6.025 -11.453 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.429 -5.609 -9.600 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.283 -6.861 -10.482 1.00 0.00 H new ATOM 129 N GLU A 12 -1.486 -8.122 -12.711 1.00 0.00 N ATOM 130 CA GLU A 12 -1.784 -9.098 -13.752 1.00 0.00 C ATOM 131 C GLU A 12 -2.316 -10.394 -13.147 1.00 0.00 C ATOM 132 O GLU A 12 -3.113 -11.100 -13.765 1.00 0.00 O ATOM 133 CB GLU A 12 -0.534 -9.386 -14.585 1.00 0.00 C ATOM 134 CG GLU A 12 -0.703 -10.543 -15.556 1.00 0.00 C ATOM 135 CD GLU A 12 0.623 -11.096 -16.041 1.00 0.00 C ATOM 136 OE1 GLU A 12 1.609 -11.028 -15.277 1.00 0.00 O ATOM 137 OE2 GLU A 12 0.676 -11.596 -17.184 1.00 0.00 O ATOM 0 H GLU A 12 -0.826 -8.447 -12.004 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.554 -8.677 -14.399 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -0.266 -8.490 -15.144 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.297 -9.604 -13.914 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.269 -11.339 -15.072 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.289 -10.211 -16.413 1.00 0.00 H new ATOM 144 N VAL A 13 -1.868 -10.701 -11.934 1.00 0.00 N ATOM 145 CA VAL A 13 -2.298 -11.911 -11.244 1.00 0.00 C ATOM 146 C VAL A 13 -3.776 -11.839 -10.877 1.00 0.00 C ATOM 147 O VAL A 13 -4.498 -12.833 -10.964 1.00 0.00 O ATOM 148 CB VAL A 13 -1.474 -12.151 -9.965 1.00 0.00 C ATOM 149 CG1 VAL A 13 -0.125 -12.765 -10.306 1.00 0.00 C ATOM 150 CG2 VAL A 13 -1.298 -10.852 -9.194 1.00 0.00 C ATOM 0 H VAL A 13 -1.207 -10.128 -11.409 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.137 -12.741 -11.932 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.016 -12.853 -9.331 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.443 -12.927 -9.390 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.277 -13.718 -10.813 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.427 -12.090 -10.960 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.714 -11.040 -8.293 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.778 -10.126 -9.819 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.276 -10.458 -8.916 1.00 0.00 H new ATOM 160 N CYS A 14 -4.221 -10.656 -10.467 1.00 0.00 N ATOM 161 CA CYS A 14 -5.613 -10.453 -10.086 1.00 0.00 C ATOM 162 C CYS A 14 -6.280 -9.422 -10.993 1.00 0.00 C ATOM 163 O CYS A 14 -7.442 -9.570 -11.369 1.00 0.00 O ATOM 164 CB CYS A 14 -5.704 -9.999 -8.628 1.00 0.00 C ATOM 165 SG CYS A 14 -5.014 -8.341 -8.320 1.00 0.00 S ATOM 0 H CYS A 14 -3.637 -9.823 -10.390 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.136 -11.403 -10.197 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.750 -10.008 -8.320 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.181 -10.721 -8.001 1.00 0.00 H new ATOM 170 N GLY A 15 -5.535 -8.378 -11.341 1.00 0.00 N ATOM 171 CA GLY A 15 -6.069 -7.338 -12.201 1.00 0.00 C ATOM 172 C GLY A 15 -6.636 -6.171 -11.417 1.00 0.00 C ATOM 173 O GLY A 15 -7.763 -5.740 -11.658 1.00 0.00 O ATOM 0 H GLY A 15 -4.570 -8.233 -11.043 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.281 -6.978 -12.863 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.850 -7.760 -12.834 1.00 0.00 H new ATOM 177 N LYS A 16 -5.853 -5.659 -10.474 1.00 0.00 N ATOM 178 CA LYS A 16 -6.281 -4.535 -9.650 1.00 0.00 C ATOM 179 C LYS A 16 -5.644 -3.235 -10.130 1.00 0.00 C ATOM 180 O LYS A 16 -4.592 -3.247 -10.770 1.00 0.00 O ATOM 181 CB LYS A 16 -5.918 -4.783 -8.184 1.00 0.00 C ATOM 182 CG LYS A 16 -6.814 -4.046 -7.203 1.00 0.00 C ATOM 183 CD LYS A 16 -8.107 -4.803 -6.952 1.00 0.00 C ATOM 184 CE LYS A 16 -9.129 -3.937 -6.231 1.00 0.00 C ATOM 185 NZ LYS A 16 -8.778 -3.742 -4.797 1.00 0.00 N ATOM 0 H LYS A 16 -4.917 -6.005 -10.261 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.363 -4.443 -9.739 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.973 -5.852 -7.981 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.884 -4.480 -8.018 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.285 -3.905 -6.260 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.042 -3.054 -7.592 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.521 -5.142 -7.901 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.899 -5.693 -6.358 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.195 -2.967 -6.724 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.113 -4.400 -6.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.499 -3.147 -4.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.740 -4.666 -4.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.850 -3.277 -4.727 1.00 0.00 H new ATOM 199 N CYS A 17 -6.287 -2.115 -9.816 1.00 0.00 N ATOM 200 CA CYS A 17 -5.783 -0.806 -10.215 1.00 0.00 C ATOM 201 C CYS A 17 -4.998 -0.157 -9.079 1.00 0.00 C ATOM 202 O CYS A 17 -5.431 -0.166 -7.927 1.00 0.00 O ATOM 203 CB CYS A 17 -6.939 0.102 -10.637 1.00 0.00 C ATOM 204 SG CYS A 17 -6.423 1.581 -11.541 1.00 0.00 S ATOM 0 H CYS A 17 -7.158 -2.088 -9.286 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.112 -0.945 -11.063 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.627 -0.470 -11.259 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.491 0.407 -9.748 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.470 2.284 -11.857 1.00 0.00 H new ATOM 210 N PHE A 18 -3.841 0.405 -9.413 1.00 0.00 N ATOM 211 CA PHE A 18 -2.994 1.056 -8.420 1.00 0.00 C ATOM 212 C PHE A 18 -2.353 2.316 -8.996 1.00 0.00 C ATOM 213 O PHE A 18 -1.713 2.276 -10.046 1.00 0.00 O ATOM 214 CB PHE A 18 -1.908 0.094 -7.935 1.00 0.00 C ATOM 215 CG PHE A 18 -2.440 -1.048 -7.118 1.00 0.00 C ATOM 216 CD1 PHE A 18 -3.007 -0.821 -5.874 1.00 0.00 C ATOM 217 CD2 PHE A 18 -2.374 -2.347 -7.593 1.00 0.00 C ATOM 218 CE1 PHE A 18 -3.496 -1.871 -5.119 1.00 0.00 C ATOM 219 CE2 PHE A 18 -2.863 -3.401 -6.844 1.00 0.00 C ATOM 220 CZ PHE A 18 -3.426 -3.162 -5.605 1.00 0.00 C ATOM 0 H PHE A 18 -3.469 0.423 -10.362 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.620 1.341 -7.575 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.375 -0.305 -8.798 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -1.182 0.648 -7.340 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.068 0.187 -5.490 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.935 -2.539 -8.561 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.933 -1.682 -4.149 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.805 -4.409 -7.227 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.810 -3.983 -5.018 1.00 0.00 H new ATOM 230 N SER A 19 -2.532 3.434 -8.299 1.00 0.00 N ATOM 231 CA SER A 19 -1.975 4.708 -8.742 1.00 0.00 C ATOM 232 C SER A 19 -0.517 4.841 -8.315 1.00 0.00 C ATOM 233 O SER A 19 0.366 5.066 -9.143 1.00 0.00 O ATOM 234 CB SER A 19 -2.793 5.870 -8.176 1.00 0.00 C ATOM 235 OG SER A 19 -2.643 7.034 -8.970 1.00 0.00 O ATOM 0 H SER A 19 -3.058 3.484 -7.426 1.00 0.00 H new ATOM 0 HA SER A 19 -2.020 4.738 -9.831 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.845 5.590 -8.131 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.475 6.079 -7.155 1.00 0.00 H new ATOM 0 HG SER A 19 -3.177 7.762 -8.588 1.00 0.00 H new ATOM 241 N ARG A 20 -0.272 4.701 -7.016 1.00 0.00 N ATOM 242 CA ARG A 20 1.078 4.807 -6.477 1.00 0.00 C ATOM 243 C ARG A 20 1.735 3.433 -6.381 1.00 0.00 C ATOM 244 O ARG A 20 1.088 2.447 -6.026 1.00 0.00 O ATOM 245 CB ARG A 20 1.050 5.468 -5.098 1.00 0.00 C ATOM 246 CG ARG A 20 0.478 6.876 -5.109 1.00 0.00 C ATOM 247 CD ARG A 20 -0.018 7.287 -3.732 1.00 0.00 C ATOM 248 NE ARG A 20 1.014 7.979 -2.963 1.00 0.00 N ATOM 249 CZ ARG A 20 1.916 7.354 -2.214 1.00 0.00 C ATOM 250 NH1 ARG A 20 1.914 6.030 -2.135 1.00 0.00 N ATOM 251 NH2 ARG A 20 2.823 8.053 -1.544 1.00 0.00 N ATOM 0 H ARG A 20 -0.991 4.514 -6.318 1.00 0.00 H new ATOM 0 HA ARG A 20 1.665 5.425 -7.156 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.460 4.851 -4.420 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.064 5.500 -4.699 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.241 7.577 -5.446 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.343 6.931 -5.824 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.887 7.936 -3.838 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.346 6.403 -3.186 1.00 0.00 H new ATOM 0 HE ARG A 20 1.044 8.998 -3.003 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.219 5.489 -2.650 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.607 5.552 -1.559 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.828 9.071 -1.604 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.515 7.572 -0.969 1.00 0.00 H new ATOM 265 N LYS A 21 3.023 3.375 -6.700 1.00 0.00 N ATOM 266 CA LYS A 21 3.769 2.123 -6.649 1.00 0.00 C ATOM 267 C LYS A 21 3.760 1.541 -5.239 1.00 0.00 C ATOM 268 O LYS A 21 4.058 0.363 -5.042 1.00 0.00 O ATOM 269 CB LYS A 21 5.211 2.345 -7.112 1.00 0.00 C ATOM 270 CG LYS A 21 6.074 3.062 -6.089 1.00 0.00 C ATOM 271 CD LYS A 21 6.129 4.557 -6.355 1.00 0.00 C ATOM 272 CE LYS A 21 6.865 5.293 -5.246 1.00 0.00 C ATOM 273 NZ LYS A 21 8.339 5.102 -5.337 1.00 0.00 N ATOM 0 H LYS A 21 3.573 4.181 -6.997 1.00 0.00 H new ATOM 0 HA LYS A 21 3.284 1.413 -7.319 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.662 1.380 -7.343 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.202 2.923 -8.036 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.678 2.884 -5.089 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.083 2.650 -6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.626 4.740 -7.307 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.116 4.949 -6.444 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.633 6.357 -5.300 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.512 4.938 -4.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.804 5.619 -4.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.563 4.089 -5.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.680 5.464 -6.250 1.00 0.00 H new ATOM 287 N ASP A 22 3.416 2.373 -4.263 1.00 0.00 N ATOM 288 CA ASP A 22 3.366 1.940 -2.871 1.00 0.00 C ATOM 289 C ASP A 22 2.316 0.850 -2.679 1.00 0.00 C ATOM 290 O ASP A 22 2.633 -0.266 -2.265 1.00 0.00 O ATOM 291 CB ASP A 22 3.059 3.127 -1.956 1.00 0.00 C ATOM 292 CG ASP A 22 4.312 3.862 -1.522 1.00 0.00 C ATOM 293 OD1 ASP A 22 5.272 3.191 -1.089 1.00 0.00 O ATOM 294 OD2 ASP A 22 4.333 5.107 -1.615 1.00 0.00 O ATOM 0 H ASP A 22 3.167 3.351 -4.409 1.00 0.00 H new ATOM 0 HA ASP A 22 4.342 1.531 -2.608 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.396 3.820 -2.474 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.525 2.774 -1.074 1.00 0.00 H new ATOM 299 N LYS A 23 1.065 1.180 -2.980 1.00 0.00 N ATOM 300 CA LYS A 23 -0.032 0.230 -2.841 1.00 0.00 C ATOM 301 C LYS A 23 0.336 -1.120 -3.448 1.00 0.00 C ATOM 302 O LYS A 23 0.094 -2.168 -2.850 1.00 0.00 O ATOM 303 CB LYS A 23 -1.295 0.776 -3.512 1.00 0.00 C ATOM 304 CG LYS A 23 -2.002 1.846 -2.698 1.00 0.00 C ATOM 305 CD LYS A 23 -1.143 3.090 -2.547 1.00 0.00 C ATOM 306 CE LYS A 23 -1.898 4.206 -1.843 1.00 0.00 C ATOM 307 NZ LYS A 23 -1.749 4.130 -0.363 1.00 0.00 N ATOM 0 H LYS A 23 0.785 2.099 -3.322 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.225 0.089 -1.777 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.030 1.188 -4.486 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.986 -0.048 -3.692 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.943 2.109 -3.181 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.249 1.451 -1.712 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.243 2.846 -1.983 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.820 3.432 -3.530 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.532 5.170 -2.196 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.955 4.151 -2.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.278 4.908 0.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.121 3.220 -0.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.743 4.208 -0.111 1.00 0.00 H new ATOM 321 N LEU A 24 0.924 -1.086 -4.639 1.00 0.00 N ATOM 322 CA LEU A 24 1.328 -2.308 -5.328 1.00 0.00 C ATOM 323 C LEU A 24 2.422 -3.034 -4.551 1.00 0.00 C ATOM 324 O LEU A 24 2.330 -4.237 -4.307 1.00 0.00 O ATOM 325 CB LEU A 24 1.818 -1.982 -6.739 1.00 0.00 C ATOM 326 CG LEU A 24 1.913 -3.164 -7.706 1.00 0.00 C ATOM 327 CD1 LEU A 24 2.601 -4.345 -7.040 1.00 0.00 C ATOM 328 CD2 LEU A 24 0.529 -3.560 -8.201 1.00 0.00 C ATOM 0 H LEU A 24 1.132 -0.227 -5.148 1.00 0.00 H new ATOM 0 HA LEU A 24 0.460 -2.964 -5.395 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.150 -1.237 -7.171 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.803 -1.521 -6.663 1.00 0.00 H new ATOM 0 HG LEU A 24 2.511 -2.859 -8.565 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.659 -5.176 -7.743 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.607 -4.056 -6.736 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.031 -4.651 -6.163 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.615 -4.402 -8.888 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.093 -3.846 -7.353 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.072 -2.716 -8.718 1.00 0.00 H new ATOM 340 N LYS A 25 3.456 -2.295 -4.164 1.00 0.00 N ATOM 341 CA LYS A 25 4.566 -2.866 -3.412 1.00 0.00 C ATOM 342 C LYS A 25 4.078 -3.959 -2.467 1.00 0.00 C ATOM 343 O LYS A 25 4.442 -5.127 -2.612 1.00 0.00 O ATOM 344 CB LYS A 25 5.286 -1.774 -2.618 1.00 0.00 C ATOM 345 CG LYS A 25 6.547 -2.258 -1.923 1.00 0.00 C ATOM 346 CD LYS A 25 7.033 -1.257 -0.888 1.00 0.00 C ATOM 347 CE LYS A 25 8.456 -1.561 -0.444 1.00 0.00 C ATOM 348 NZ LYS A 25 9.157 -0.342 0.044 1.00 0.00 N ATOM 0 H LYS A 25 3.548 -1.298 -4.359 1.00 0.00 H new ATOM 0 HA LYS A 25 5.263 -3.310 -4.122 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.543 -0.957 -3.292 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.603 -1.369 -1.872 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.353 -3.216 -1.441 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.329 -2.426 -2.663 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.988 -0.251 -1.304 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.369 -1.275 -0.024 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.437 -2.310 0.347 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.012 -1.991 -1.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.123 -0.591 0.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.198 0.364 -0.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.641 0.054 0.855 1.00 0.00 H new ATOM 362 N THR A 26 3.252 -3.574 -1.500 1.00 0.00 N ATOM 363 CA THR A 26 2.714 -4.521 -0.532 1.00 0.00 C ATOM 364 C THR A 26 1.705 -5.460 -1.183 1.00 0.00 C ATOM 365 O THR A 26 1.713 -6.666 -0.933 1.00 0.00 O ATOM 366 CB THR A 26 2.037 -3.796 0.647 1.00 0.00 C ATOM 367 OG1 THR A 26 2.926 -2.818 1.197 1.00 0.00 O ATOM 368 CG2 THR A 26 1.630 -4.785 1.729 1.00 0.00 C ATOM 0 H THR A 26 2.941 -2.612 -1.366 1.00 0.00 H new ATOM 0 HA THR A 26 3.557 -5.102 -0.157 1.00 0.00 H new ATOM 0 HB THR A 26 1.140 -3.301 0.274 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.487 -2.361 1.945 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.154 -4.250 2.551 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.930 -5.510 1.314 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.514 -5.305 2.098 1.00 0.00 H new ATOM 376 N HIS A 27 0.838 -4.901 -2.021 1.00 0.00 N ATOM 377 CA HIS A 27 -0.177 -5.689 -2.710 1.00 0.00 C ATOM 378 C HIS A 27 0.365 -7.066 -3.082 1.00 0.00 C ATOM 379 O HIS A 27 -0.354 -8.063 -3.021 1.00 0.00 O ATOM 380 CB HIS A 27 -0.654 -4.960 -3.966 1.00 0.00 C ATOM 381 CG HIS A 27 -1.716 -5.699 -4.721 1.00 0.00 C ATOM 382 ND1 HIS A 27 -2.915 -6.080 -4.156 1.00 0.00 N ATOM 383 CD2 HIS A 27 -1.754 -6.126 -6.005 1.00 0.00 C ATOM 384 CE1 HIS A 27 -3.644 -6.711 -5.059 1.00 0.00 C ATOM 385 NE2 HIS A 27 -2.963 -6.752 -6.190 1.00 0.00 N ATOM 0 H HIS A 27 0.818 -3.905 -2.239 1.00 0.00 H new ATOM 0 HA HIS A 27 -1.021 -5.820 -2.033 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -1.036 -3.979 -3.684 1.00 0.00 H new ATOM 0 HB3 HIS A 27 0.198 -4.792 -4.624 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -3.195 -5.902 -3.191 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -0.979 -5.998 -6.746 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.629 -7.123 -4.900 1.00 0.00 H new ATOM 393 N MET A 28 1.636 -7.112 -3.467 1.00 0.00 N ATOM 394 CA MET A 28 2.273 -8.367 -3.849 1.00 0.00 C ATOM 395 C MET A 28 2.393 -9.302 -2.650 1.00 0.00 C ATOM 396 O MET A 28 2.072 -10.487 -2.741 1.00 0.00 O ATOM 397 CB MET A 28 3.658 -8.101 -4.443 1.00 0.00 C ATOM 398 CG MET A 28 3.619 -7.335 -5.756 1.00 0.00 C ATOM 399 SD MET A 28 3.520 -8.423 -7.191 1.00 0.00 S ATOM 400 CE MET A 28 1.804 -8.209 -7.659 1.00 0.00 C ATOM 0 H MET A 28 2.245 -6.296 -3.523 1.00 0.00 H new ATOM 0 HA MET A 28 1.649 -8.848 -4.602 1.00 0.00 H new ATOM 0 HB2 MET A 28 4.252 -7.540 -3.722 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.165 -9.053 -4.602 1.00 0.00 H new ATOM 0 HG2 MET A 28 2.761 -6.663 -5.755 1.00 0.00 H new ATOM 0 HG3 MET A 28 4.511 -6.714 -5.837 1.00 0.00 H new ATOM 0 HE1 MET A 28 1.401 -9.159 -8.010 1.00 0.00 H new ATOM 0 HE2 MET A 28 1.231 -7.868 -6.796 1.00 0.00 H new ATOM 0 HE3 MET A 28 1.734 -7.469 -8.456 1.00 0.00 H new ATOM 410 N ARG A 29 2.858 -8.762 -1.528 1.00 0.00 N ATOM 411 CA ARG A 29 3.021 -9.550 -0.312 1.00 0.00 C ATOM 412 C ARG A 29 1.895 -10.569 -0.168 1.00 0.00 C ATOM 413 O ARG A 29 2.133 -11.729 0.171 1.00 0.00 O ATOM 414 CB ARG A 29 3.053 -8.634 0.914 1.00 0.00 C ATOM 415 CG ARG A 29 4.325 -7.809 1.024 1.00 0.00 C ATOM 416 CD ARG A 29 5.453 -8.606 1.661 1.00 0.00 C ATOM 417 NE ARG A 29 5.323 -8.673 3.114 1.00 0.00 N ATOM 418 CZ ARG A 29 5.933 -9.582 3.865 1.00 0.00 C ATOM 419 NH1 ARG A 29 6.713 -10.496 3.303 1.00 0.00 N ATOM 420 NH2 ARG A 29 5.765 -9.579 5.181 1.00 0.00 N ATOM 0 H ARG A 29 3.128 -7.783 -1.436 1.00 0.00 H new ATOM 0 HA ARG A 29 3.967 -10.087 -0.382 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.196 -7.962 0.877 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.944 -9.240 1.813 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.630 -7.474 0.032 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.130 -6.915 1.616 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.460 -9.616 1.251 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.409 -8.151 1.403 1.00 0.00 H new ATOM 0 HE ARG A 29 4.731 -7.984 3.577 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.845 -10.501 2.292 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.181 -11.193 3.882 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.166 -8.878 5.617 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.234 -10.278 5.757 1.00 0.00 H new ATOM 434 N CYS A 30 0.669 -10.129 -0.429 1.00 0.00 N ATOM 435 CA CYS A 30 -0.495 -11.002 -0.328 1.00 0.00 C ATOM 436 C CYS A 30 -0.388 -12.166 -1.307 1.00 0.00 C ATOM 437 O CYS A 30 -0.342 -13.329 -0.904 1.00 0.00 O ATOM 438 CB CYS A 30 -1.777 -10.212 -0.594 1.00 0.00 C ATOM 439 SG CYS A 30 -3.296 -11.143 -0.288 1.00 0.00 S ATOM 0 H CYS A 30 0.455 -9.173 -0.712 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.529 -11.404 0.684 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.778 -9.320 0.033 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.774 -9.873 -1.630 1.00 0.00 H new ATOM 0 HG CYS A 30 -4.325 -10.389 -0.539 1.00 0.00 H new ATOM 445 N HIS A 31 -0.350 -11.846 -2.597 1.00 0.00 N ATOM 446 CA HIS A 31 -0.250 -12.866 -3.635 1.00 0.00 C ATOM 447 C HIS A 31 0.799 -13.912 -3.270 1.00 0.00 C ATOM 448 O HIS A 31 1.989 -13.607 -3.175 1.00 0.00 O ATOM 449 CB HIS A 31 0.099 -12.223 -4.978 1.00 0.00 C ATOM 450 CG HIS A 31 -0.984 -11.344 -5.521 1.00 0.00 C ATOM 451 ND1 HIS A 31 -2.311 -11.717 -5.554 1.00 0.00 N ATOM 452 CD2 HIS A 31 -0.932 -10.101 -6.054 1.00 0.00 C ATOM 453 CE1 HIS A 31 -3.028 -10.743 -6.085 1.00 0.00 C ATOM 454 NE2 HIS A 31 -2.214 -9.750 -6.397 1.00 0.00 N ATOM 0 H HIS A 31 -0.387 -10.889 -2.948 1.00 0.00 H new ATOM 0 HA HIS A 31 -1.217 -13.362 -3.718 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.010 -11.635 -4.864 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.315 -13.008 -5.702 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -2.681 -12.607 -5.220 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.046 -9.497 -6.185 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -4.097 -10.756 -6.238 1.00 0.00 H new ATOM 462 N THR A 32 0.350 -15.146 -3.064 1.00 0.00 N ATOM 463 CA THR A 32 1.249 -16.236 -2.707 1.00 0.00 C ATOM 464 C THR A 32 2.345 -16.410 -3.752 1.00 0.00 C ATOM 465 O THR A 32 2.210 -15.958 -4.889 1.00 0.00 O ATOM 466 CB THR A 32 0.487 -17.566 -2.554 1.00 0.00 C ATOM 467 OG1 THR A 32 -0.126 -17.926 -3.797 1.00 0.00 O ATOM 468 CG2 THR A 32 -0.577 -17.458 -1.472 1.00 0.00 C ATOM 0 H THR A 32 -0.631 -15.415 -3.138 1.00 0.00 H new ATOM 0 HA THR A 32 1.701 -15.972 -1.751 1.00 0.00 H new ATOM 0 HB THR A 32 1.201 -18.337 -2.265 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.096 -17.990 -3.677 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.102 -18.409 -1.382 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.105 -17.213 -0.521 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.287 -16.675 -1.737 1.00 0.00 H new ATOM 476 N GLY A 33 3.431 -17.069 -3.361 1.00 0.00 N ATOM 477 CA GLY A 33 4.535 -17.291 -4.277 1.00 0.00 C ATOM 478 C GLY A 33 4.137 -18.138 -5.469 1.00 0.00 C ATOM 479 O GLY A 33 3.192 -17.810 -6.185 1.00 0.00 O ATOM 0 H GLY A 33 3.566 -17.453 -2.426 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.911 -16.330 -4.627 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.352 -17.779 -3.745 1.00 0.00 H new ATOM 483 N VAL A 34 4.862 -19.232 -5.684 1.00 0.00 N ATOM 484 CA VAL A 34 4.580 -20.129 -6.798 1.00 0.00 C ATOM 485 C VAL A 34 4.128 -21.497 -6.302 1.00 0.00 C ATOM 486 O VAL A 34 4.675 -22.032 -5.337 1.00 0.00 O ATOM 487 CB VAL A 34 5.814 -20.305 -7.703 1.00 0.00 C ATOM 488 CG1 VAL A 34 6.263 -18.964 -8.262 1.00 0.00 C ATOM 489 CG2 VAL A 34 6.944 -20.978 -6.937 1.00 0.00 C ATOM 0 H VAL A 34 5.649 -19.518 -5.101 1.00 0.00 H new ATOM 0 HA VAL A 34 3.777 -19.672 -7.376 1.00 0.00 H new ATOM 0 HB VAL A 34 5.540 -20.947 -8.541 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.136 -19.109 -8.899 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.455 -18.525 -8.848 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.520 -18.295 -7.441 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.808 -21.095 -7.591 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.218 -20.364 -6.079 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.616 -21.958 -6.591 1.00 0.00 H new ATOM 499 N LYS A 35 3.125 -22.060 -6.967 1.00 0.00 N ATOM 500 CA LYS A 35 2.598 -23.368 -6.595 1.00 0.00 C ATOM 501 C LYS A 35 2.145 -24.143 -7.829 1.00 0.00 C ATOM 502 O LYS A 35 1.574 -23.585 -8.767 1.00 0.00 O ATOM 503 CB LYS A 35 1.429 -23.212 -5.620 1.00 0.00 C ATOM 504 CG LYS A 35 1.824 -22.591 -4.292 1.00 0.00 C ATOM 505 CD LYS A 35 2.784 -23.484 -3.523 1.00 0.00 C ATOM 506 CE LYS A 35 3.246 -22.824 -2.232 1.00 0.00 C ATOM 507 NZ LYS A 35 2.099 -22.454 -1.357 1.00 0.00 N ATOM 0 H LYS A 35 2.660 -21.631 -7.767 1.00 0.00 H new ATOM 0 HA LYS A 35 3.396 -23.928 -6.108 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.659 -22.596 -6.085 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.987 -24.191 -5.436 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.289 -21.621 -4.467 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.931 -22.413 -3.692 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.297 -24.432 -3.294 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.649 -23.712 -4.146 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.909 -23.502 -1.694 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.826 -21.932 -2.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.339 -22.656 -0.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.894 -21.440 -1.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.262 -23.007 -1.630 1.00 0.00 H new ATOM 521 N PRO A 36 2.403 -25.459 -7.830 1.00 0.00 N ATOM 522 CA PRO A 36 2.028 -26.338 -8.942 1.00 0.00 C ATOM 523 C PRO A 36 0.519 -26.534 -9.042 1.00 0.00 C ATOM 524 O PRO A 36 0.018 -27.073 -10.029 1.00 0.00 O ATOM 525 CB PRO A 36 2.717 -27.660 -8.596 1.00 0.00 C ATOM 526 CG PRO A 36 2.868 -27.633 -7.114 1.00 0.00 C ATOM 527 CD PRO A 36 3.080 -26.191 -6.746 1.00 0.00 C ATOM 0 HA PRO A 36 2.326 -25.926 -9.906 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.120 -28.513 -8.917 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.685 -27.743 -9.091 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.981 -28.035 -6.624 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.712 -28.245 -6.796 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.649 -25.957 -5.773 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.140 -25.941 -6.693 1.00 0.00 H new ATOM 535 N TYR A 37 -0.200 -26.093 -8.016 1.00 0.00 N ATOM 536 CA TYR A 37 -1.652 -26.222 -7.988 1.00 0.00 C ATOM 537 C TYR A 37 -2.323 -24.868 -8.199 1.00 0.00 C ATOM 538 O TYR A 37 -2.359 -24.031 -7.296 1.00 0.00 O ATOM 539 CB TYR A 37 -2.106 -26.827 -6.658 1.00 0.00 C ATOM 540 CG TYR A 37 -1.708 -28.275 -6.486 1.00 0.00 C ATOM 541 CD1 TYR A 37 -1.997 -29.217 -7.466 1.00 0.00 C ATOM 542 CD2 TYR A 37 -1.046 -28.703 -5.342 1.00 0.00 C ATOM 543 CE1 TYR A 37 -1.636 -30.542 -7.313 1.00 0.00 C ATOM 544 CE2 TYR A 37 -0.680 -30.025 -5.180 1.00 0.00 C ATOM 545 CZ TYR A 37 -0.978 -30.941 -6.168 1.00 0.00 C ATOM 546 OH TYR A 37 -0.617 -32.259 -6.010 1.00 0.00 O ATOM 0 H TYR A 37 0.199 -25.643 -7.192 1.00 0.00 H new ATOM 0 HA TYR A 37 -1.948 -26.885 -8.801 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -1.684 -26.243 -5.840 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.190 -26.745 -6.582 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.513 -28.908 -8.363 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.813 -27.989 -4.566 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.868 -31.261 -8.085 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.164 -30.340 -4.285 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.308 -32.406 -5.092 1.00 0.00 H new ATOM 556 N LYS A 38 -2.855 -24.659 -9.398 1.00 0.00 N ATOM 557 CA LYS A 38 -3.527 -23.409 -9.731 1.00 0.00 C ATOM 558 C LYS A 38 -4.906 -23.674 -10.327 1.00 0.00 C ATOM 559 O LYS A 38 -5.041 -24.421 -11.297 1.00 0.00 O ATOM 560 CB LYS A 38 -2.682 -22.597 -10.714 1.00 0.00 C ATOM 561 CG LYS A 38 -1.543 -21.839 -10.056 1.00 0.00 C ATOM 562 CD LYS A 38 -1.045 -20.705 -10.936 1.00 0.00 C ATOM 563 CE LYS A 38 -0.082 -19.798 -10.185 1.00 0.00 C ATOM 564 NZ LYS A 38 0.561 -18.803 -11.088 1.00 0.00 N ATOM 0 H LYS A 38 -2.834 -25.341 -10.157 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.652 -22.837 -8.811 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.272 -23.268 -11.468 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.326 -21.888 -11.234 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.877 -21.438 -9.099 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.722 -22.525 -9.846 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.549 -21.116 -11.815 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.893 -20.121 -11.293 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.618 -19.276 -9.392 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.687 -20.403 -9.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.210 -18.204 -10.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.094 -19.301 -11.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.171 -18.209 -11.527 1.00 0.00 H new ATOM 578 N CYS A 39 -5.928 -23.058 -9.742 1.00 0.00 N ATOM 579 CA CYS A 39 -7.296 -23.227 -10.216 1.00 0.00 C ATOM 580 C CYS A 39 -7.383 -22.991 -11.721 1.00 0.00 C ATOM 581 O CYS A 39 -6.705 -22.119 -12.265 1.00 0.00 O ATOM 582 CB CYS A 39 -8.234 -22.266 -9.483 1.00 0.00 C ATOM 583 SG CYS A 39 -10.002 -22.663 -9.671 1.00 0.00 S ATOM 0 H CYS A 39 -5.834 -22.437 -8.938 1.00 0.00 H new ATOM 0 HA CYS A 39 -7.602 -24.252 -10.008 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -7.983 -22.269 -8.422 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -8.059 -21.254 -9.849 1.00 0.00 H new ATOM 588 N LYS A 40 -8.223 -23.775 -12.389 1.00 0.00 N ATOM 589 CA LYS A 40 -8.402 -23.652 -13.831 1.00 0.00 C ATOM 590 C LYS A 40 -8.871 -22.249 -14.203 1.00 0.00 C ATOM 591 O LYS A 40 -8.311 -21.612 -15.096 1.00 0.00 O ATOM 592 CB LYS A 40 -9.412 -24.688 -14.330 1.00 0.00 C ATOM 593 CG LYS A 40 -9.161 -25.143 -15.758 1.00 0.00 C ATOM 594 CD LYS A 40 -8.104 -26.232 -15.818 1.00 0.00 C ATOM 595 CE LYS A 40 -8.103 -26.933 -17.168 1.00 0.00 C ATOM 596 NZ LYS A 40 -6.826 -27.659 -17.415 1.00 0.00 N ATOM 0 H LYS A 40 -8.791 -24.503 -11.954 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.439 -23.833 -14.309 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.385 -25.556 -13.671 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.415 -24.267 -14.263 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.090 -25.512 -16.192 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.843 -24.293 -16.361 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.122 -25.798 -15.631 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.286 -26.961 -15.028 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.935 -27.636 -17.213 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.262 -26.199 -17.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.865 -28.123 -18.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.034 -26.985 -17.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.686 -28.377 -16.675 1.00 0.00 H new ATOM 610 N THR A 41 -9.902 -21.772 -13.513 1.00 0.00 N ATOM 611 CA THR A 41 -10.446 -20.445 -13.771 1.00 0.00 C ATOM 612 C THR A 41 -9.789 -19.398 -12.879 1.00 0.00 C ATOM 613 O THR A 41 -9.117 -18.487 -13.364 1.00 0.00 O ATOM 614 CB THR A 41 -11.970 -20.409 -13.549 1.00 0.00 C ATOM 615 OG1 THR A 41 -12.599 -21.454 -14.298 1.00 0.00 O ATOM 616 CG2 THR A 41 -12.546 -19.063 -13.963 1.00 0.00 C ATOM 0 H THR A 41 -10.377 -22.285 -12.771 1.00 0.00 H new ATOM 0 HA THR A 41 -10.233 -20.214 -14.815 1.00 0.00 H new ATOM 0 HB THR A 41 -12.164 -20.557 -12.487 1.00 0.00 H new ATOM 0 HG1 THR A 41 -13.567 -21.425 -14.150 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.623 -19.062 -13.797 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.086 -18.273 -13.370 1.00 0.00 H new ATOM 0 HG23 THR A 41 -12.341 -18.889 -15.019 1.00 0.00 H new ATOM 624 N CYS A 42 -9.986 -19.533 -11.572 1.00 0.00 N ATOM 625 CA CYS A 42 -9.413 -18.599 -10.611 1.00 0.00 C ATOM 626 C CYS A 42 -7.889 -18.606 -10.689 1.00 0.00 C ATOM 627 O CYS A 42 -7.292 -19.495 -11.297 1.00 0.00 O ATOM 628 CB CYS A 42 -9.863 -18.954 -9.192 1.00 0.00 C ATOM 629 SG CYS A 42 -11.608 -19.462 -9.071 1.00 0.00 S ATOM 0 H CYS A 42 -10.539 -20.281 -11.154 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.768 -17.599 -10.858 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -9.234 -19.760 -8.814 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.701 -18.092 -8.545 1.00 0.00 H new ATOM 634 N ASP A 43 -7.266 -17.609 -10.069 1.00 0.00 N ATOM 635 CA ASP A 43 -5.812 -17.501 -10.067 1.00 0.00 C ATOM 636 C ASP A 43 -5.249 -17.770 -8.675 1.00 0.00 C ATOM 637 O ASP A 43 -4.276 -17.143 -8.256 1.00 0.00 O ATOM 638 CB ASP A 43 -5.382 -16.112 -10.544 1.00 0.00 C ATOM 639 CG ASP A 43 -6.155 -15.001 -9.862 1.00 0.00 C ATOM 640 OD1 ASP A 43 -5.945 -14.790 -8.649 1.00 0.00 O ATOM 641 OD2 ASP A 43 -6.970 -14.342 -10.541 1.00 0.00 O ATOM 0 H ASP A 43 -7.745 -16.865 -9.562 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.416 -18.251 -10.751 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -4.317 -15.979 -10.354 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.525 -16.041 -11.622 1.00 0.00 H new ATOM 646 N TYR A 44 -5.867 -18.706 -7.964 1.00 0.00 N ATOM 647 CA TYR A 44 -5.430 -19.057 -6.618 1.00 0.00 C ATOM 648 C TYR A 44 -4.396 -20.178 -6.655 1.00 0.00 C ATOM 649 O TYR A 44 -4.466 -21.075 -7.495 1.00 0.00 O ATOM 650 CB TYR A 44 -6.627 -19.480 -5.765 1.00 0.00 C ATOM 651 CG TYR A 44 -6.255 -20.371 -4.601 1.00 0.00 C ATOM 652 CD1 TYR A 44 -5.405 -19.921 -3.598 1.00 0.00 C ATOM 653 CD2 TYR A 44 -6.756 -21.664 -4.503 1.00 0.00 C ATOM 654 CE1 TYR A 44 -5.063 -20.732 -2.534 1.00 0.00 C ATOM 655 CE2 TYR A 44 -6.420 -22.482 -3.442 1.00 0.00 C ATOM 656 CZ TYR A 44 -5.573 -22.011 -2.460 1.00 0.00 C ATOM 657 OH TYR A 44 -5.236 -22.822 -1.400 1.00 0.00 O ATOM 0 H TYR A 44 -6.672 -19.236 -8.297 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.968 -18.176 -6.173 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -7.125 -18.588 -5.385 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.346 -20.002 -6.396 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.005 -18.919 -3.652 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.420 -22.035 -5.270 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.400 -20.367 -1.764 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -6.818 -23.484 -3.381 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.680 -23.690 -1.498 1.00 0.00 H new ATOM 667 N ALA A 45 -3.435 -20.119 -5.739 1.00 0.00 N ATOM 668 CA ALA A 45 -2.388 -21.129 -5.664 1.00 0.00 C ATOM 669 C ALA A 45 -2.547 -21.994 -4.418 1.00 0.00 C ATOM 670 O ALA A 45 -2.684 -21.482 -3.308 1.00 0.00 O ATOM 671 CB ALA A 45 -1.016 -20.470 -5.678 1.00 0.00 C ATOM 0 H ALA A 45 -3.360 -19.382 -5.038 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.479 -21.775 -6.537 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.243 -21.237 -5.621 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.895 -19.901 -6.600 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.925 -19.800 -4.823 1.00 0.00 H new ATOM 677 N ALA A 46 -2.530 -23.309 -4.611 1.00 0.00 N ATOM 678 CA ALA A 46 -2.671 -24.246 -3.503 1.00 0.00 C ATOM 679 C ALA A 46 -1.331 -24.879 -3.144 1.00 0.00 C ATOM 680 O ALA A 46 -0.542 -25.223 -4.023 1.00 0.00 O ATOM 681 CB ALA A 46 -3.690 -25.322 -3.848 1.00 0.00 C ATOM 0 H ALA A 46 -2.420 -23.749 -5.524 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.025 -23.691 -2.634 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.785 -26.015 -3.012 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.656 -24.858 -4.046 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.360 -25.865 -4.733 1.00 0.00 H new ATOM 687 N ALA A 47 -1.081 -25.029 -1.848 1.00 0.00 N ATOM 688 CA ALA A 47 0.164 -25.621 -1.374 1.00 0.00 C ATOM 689 C ALA A 47 0.212 -27.114 -1.680 1.00 0.00 C ATOM 690 O ALA A 47 1.149 -27.597 -2.318 1.00 0.00 O ATOM 691 CB ALA A 47 0.327 -25.382 0.120 1.00 0.00 C ATOM 0 H ALA A 47 -1.724 -24.749 -1.107 1.00 0.00 H new ATOM 0 HA ALA A 47 0.989 -25.141 -1.900 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.261 -25.829 0.460 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.345 -24.310 0.317 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.508 -25.835 0.654 1.00 0.00 H new ATOM 697 N ASP A 48 -0.801 -27.841 -1.222 1.00 0.00 N ATOM 698 CA ASP A 48 -0.874 -29.280 -1.448 1.00 0.00 C ATOM 699 C ASP A 48 -2.042 -29.627 -2.367 1.00 0.00 C ATOM 700 O ASP A 48 -2.796 -28.750 -2.788 1.00 0.00 O ATOM 701 CB ASP A 48 -1.019 -30.020 -0.118 1.00 0.00 C ATOM 702 CG ASP A 48 0.219 -29.899 0.749 1.00 0.00 C ATOM 703 OD1 ASP A 48 1.269 -30.456 0.365 1.00 0.00 O ATOM 704 OD2 ASP A 48 0.138 -29.249 1.813 1.00 0.00 O ATOM 0 H ASP A 48 -1.583 -27.457 -0.692 1.00 0.00 H new ATOM 0 HA ASP A 48 0.051 -29.594 -1.931 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.878 -29.624 0.423 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.222 -31.073 -0.312 1.00 0.00 H new ATOM 709 N SER A 49 -2.184 -30.912 -2.675 1.00 0.00 N ATOM 710 CA SER A 49 -3.256 -31.375 -3.548 1.00 0.00 C ATOM 711 C SER A 49 -4.622 -31.084 -2.932 1.00 0.00 C ATOM 712 O SER A 49 -5.419 -30.331 -3.490 1.00 0.00 O ATOM 713 CB SER A 49 -3.114 -32.875 -3.815 1.00 0.00 C ATOM 714 OG SER A 49 -4.262 -33.388 -4.467 1.00 0.00 O ATOM 0 H SER A 49 -1.570 -31.651 -2.333 1.00 0.00 H new ATOM 0 HA SER A 49 -3.180 -30.836 -4.493 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.232 -33.056 -4.429 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.961 -33.402 -2.873 1.00 0.00 H new ATOM 0 HG SER A 49 -4.145 -34.348 -4.628 1.00 0.00 H new ATOM 720 N SER A 50 -4.884 -31.688 -1.777 1.00 0.00 N ATOM 721 CA SER A 50 -6.154 -31.498 -1.086 1.00 0.00 C ATOM 722 C SER A 50 -6.525 -30.020 -1.028 1.00 0.00 C ATOM 723 O SER A 50 -7.642 -29.635 -1.372 1.00 0.00 O ATOM 724 CB SER A 50 -6.079 -32.073 0.330 1.00 0.00 C ATOM 725 OG SER A 50 -5.690 -33.436 0.307 1.00 0.00 O ATOM 0 H SER A 50 -4.234 -32.313 -1.300 1.00 0.00 H new ATOM 0 HA SER A 50 -6.926 -32.027 -1.645 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.367 -31.498 0.922 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.049 -31.977 0.817 1.00 0.00 H new ATOM 0 HG SER A 50 -5.648 -33.780 1.224 1.00 0.00 H new ATOM 731 N SER A 51 -5.578 -29.195 -0.590 1.00 0.00 N ATOM 732 CA SER A 51 -5.805 -27.759 -0.483 1.00 0.00 C ATOM 733 C SER A 51 -6.471 -27.218 -1.745 1.00 0.00 C ATOM 734 O SER A 51 -7.246 -26.262 -1.691 1.00 0.00 O ATOM 735 CB SER A 51 -4.483 -27.029 -0.237 1.00 0.00 C ATOM 736 OG SER A 51 -4.697 -25.645 -0.021 1.00 0.00 O ATOM 0 H SER A 51 -4.647 -29.497 -0.304 1.00 0.00 H new ATOM 0 HA SER A 51 -6.471 -27.584 0.362 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.981 -27.462 0.628 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.822 -27.169 -1.092 1.00 0.00 H new ATOM 0 HG SER A 51 -3.837 -25.201 0.135 1.00 0.00 H new ATOM 742 N LEU A 52 -6.164 -27.837 -2.879 1.00 0.00 N ATOM 743 CA LEU A 52 -6.731 -27.419 -4.157 1.00 0.00 C ATOM 744 C LEU A 52 -8.105 -28.046 -4.373 1.00 0.00 C ATOM 745 O LEU A 52 -8.975 -27.453 -5.009 1.00 0.00 O ATOM 746 CB LEU A 52 -5.796 -27.806 -5.304 1.00 0.00 C ATOM 747 CG LEU A 52 -6.268 -27.433 -6.709 1.00 0.00 C ATOM 748 CD1 LEU A 52 -6.293 -25.922 -6.881 1.00 0.00 C ATOM 749 CD2 LEU A 52 -5.374 -28.076 -7.760 1.00 0.00 C ATOM 0 H LEU A 52 -5.526 -28.630 -2.940 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.844 -26.335 -4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.828 -27.336 -5.131 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.638 -28.884 -5.270 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.282 -27.810 -6.842 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.632 -25.676 -7.887 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.974 -25.484 -6.152 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.291 -25.522 -6.727 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.725 -27.800 -8.754 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.349 -27.729 -7.627 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.407 -29.160 -7.652 1.00 0.00 H new ATOM 761 N ASN A 53 -8.293 -29.248 -3.837 1.00 0.00 N ATOM 762 CA ASN A 53 -9.561 -29.954 -3.970 1.00 0.00 C ATOM 763 C ASN A 53 -10.672 -29.223 -3.223 1.00 0.00 C ATOM 764 O ASN A 53 -11.790 -29.092 -3.722 1.00 0.00 O ATOM 765 CB ASN A 53 -9.431 -31.384 -3.441 1.00 0.00 C ATOM 766 CG ASN A 53 -8.957 -32.354 -4.507 1.00 0.00 C ATOM 767 OD1 ASN A 53 -8.305 -31.961 -5.474 1.00 0.00 O ATOM 768 ND2 ASN A 53 -9.286 -33.629 -4.334 1.00 0.00 N ATOM 0 H ASN A 53 -7.583 -29.753 -3.307 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.820 -29.987 -5.028 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.732 -31.397 -2.605 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.395 -31.715 -3.055 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.997 -34.328 -5.018 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.828 -33.909 -3.517 1.00 0.00 H new ATOM 775 N LYS A 54 -10.357 -28.748 -2.023 1.00 0.00 N ATOM 776 CA LYS A 54 -11.326 -28.028 -1.206 1.00 0.00 C ATOM 777 C LYS A 54 -11.770 -26.741 -1.895 1.00 0.00 C ATOM 778 O LYS A 54 -12.852 -26.221 -1.622 1.00 0.00 O ATOM 779 CB LYS A 54 -10.728 -27.704 0.165 1.00 0.00 C ATOM 780 CG LYS A 54 -9.713 -26.575 0.135 1.00 0.00 C ATOM 781 CD LYS A 54 -9.663 -25.834 1.461 1.00 0.00 C ATOM 782 CE LYS A 54 -9.156 -26.730 2.581 1.00 0.00 C ATOM 783 NZ LYS A 54 -9.643 -26.280 3.915 1.00 0.00 N ATOM 0 H LYS A 54 -9.437 -28.849 -1.594 1.00 0.00 H new ATOM 0 HA LYS A 54 -12.198 -28.668 -1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.534 -27.439 0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.251 -28.599 0.565 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.727 -26.978 -0.095 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.967 -25.877 -0.663 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.014 -24.963 1.368 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.658 -25.465 1.711 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.482 -27.755 2.402 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.066 -26.737 2.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.276 -26.916 4.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.311 -25.311 4.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.683 -26.298 3.929 1.00 0.00 H new ATOM 797 N HIS A 55 -10.927 -26.233 -2.789 1.00 0.00 N ATOM 798 CA HIS A 55 -11.234 -25.008 -3.519 1.00 0.00 C ATOM 799 C HIS A 55 -12.243 -25.277 -4.632 1.00 0.00 C ATOM 800 O HIS A 55 -13.201 -24.524 -4.811 1.00 0.00 O ATOM 801 CB HIS A 55 -9.958 -24.406 -4.106 1.00 0.00 C ATOM 802 CG HIS A 55 -10.199 -23.183 -4.936 1.00 0.00 C ATOM 803 ND1 HIS A 55 -10.768 -22.032 -4.433 1.00 0.00 N ATOM 804 CD2 HIS A 55 -9.943 -22.934 -6.242 1.00 0.00 C ATOM 805 CE1 HIS A 55 -10.854 -21.129 -5.393 1.00 0.00 C ATOM 806 NE2 HIS A 55 -10.359 -21.652 -6.501 1.00 0.00 N ATOM 0 H HIS A 55 -10.027 -26.650 -3.025 1.00 0.00 H new ATOM 0 HA HIS A 55 -11.673 -24.297 -2.819 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -9.277 -24.155 -3.293 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -9.460 -25.158 -4.718 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -11.075 -21.899 -3.469 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -9.495 -23.617 -6.948 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -11.260 -20.133 -5.290 1.00 0.00 H new ATOM 814 N LEU A 56 -12.020 -26.354 -5.378 1.00 0.00 N ATOM 815 CA LEU A 56 -12.908 -26.722 -6.475 1.00 0.00 C ATOM 816 C LEU A 56 -14.342 -26.891 -5.981 1.00 0.00 C ATOM 817 O LEU A 56 -15.294 -26.754 -6.750 1.00 0.00 O ATOM 818 CB LEU A 56 -12.428 -28.016 -7.134 1.00 0.00 C ATOM 819 CG LEU A 56 -11.090 -27.938 -7.870 1.00 0.00 C ATOM 820 CD1 LEU A 56 -10.712 -29.299 -8.435 1.00 0.00 C ATOM 821 CD2 LEU A 56 -11.152 -26.897 -8.978 1.00 0.00 C ATOM 0 H LEU A 56 -11.232 -26.987 -5.243 1.00 0.00 H new ATOM 0 HA LEU A 56 -12.889 -25.918 -7.211 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -12.353 -28.785 -6.366 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -13.190 -28.345 -7.841 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.322 -27.637 -7.158 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.757 -29.224 -8.955 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.627 -30.020 -7.622 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.481 -29.629 -9.133 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.191 -26.855 -9.492 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.932 -27.169 -9.689 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.377 -25.921 -8.548 1.00 0.00 H new ATOM 833 N ARG A 57 -14.488 -27.186 -4.693 1.00 0.00 N ATOM 834 CA ARG A 57 -15.805 -27.372 -4.097 1.00 0.00 C ATOM 835 C ARG A 57 -16.551 -26.044 -4.001 1.00 0.00 C ATOM 836 O ARG A 57 -17.686 -25.924 -4.462 1.00 0.00 O ATOM 837 CB ARG A 57 -15.675 -27.997 -2.707 1.00 0.00 C ATOM 838 CG ARG A 57 -15.324 -29.476 -2.735 1.00 0.00 C ATOM 839 CD ARG A 57 -15.845 -30.196 -1.501 1.00 0.00 C ATOM 840 NE ARG A 57 -17.301 -30.136 -1.406 1.00 0.00 N ATOM 841 CZ ARG A 57 -18.024 -30.973 -0.671 1.00 0.00 C ATOM 842 NH1 ARG A 57 -17.429 -31.929 0.030 1.00 0.00 N ATOM 843 NH2 ARG A 57 -19.345 -30.855 -0.635 1.00 0.00 N ATOM 0 H ARG A 57 -13.711 -27.301 -4.043 1.00 0.00 H new ATOM 0 HA ARG A 57 -16.375 -28.044 -4.739 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -14.909 -27.461 -2.147 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -16.614 -27.865 -2.169 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -15.745 -29.934 -3.630 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -14.242 -29.593 -2.796 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -15.526 -31.238 -1.528 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -15.405 -29.751 -0.609 1.00 0.00 H new ATOM 0 HE ARG A 57 -17.789 -29.412 -1.933 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -16.414 -32.023 0.005 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -17.987 -32.570 0.594 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -19.806 -30.121 -1.172 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -19.899 -31.498 -0.070 1.00 0.00 H new ATOM 857 N ILE A 58 -15.905 -25.051 -3.400 1.00 0.00 N ATOM 858 CA ILE A 58 -16.507 -23.732 -3.244 1.00 0.00 C ATOM 859 C ILE A 58 -17.258 -23.319 -4.505 1.00 0.00 C ATOM 860 O ILE A 58 -18.183 -22.508 -4.451 1.00 0.00 O ATOM 861 CB ILE A 58 -15.446 -22.664 -2.918 1.00 0.00 C ATOM 862 CG1 ILE A 58 -14.885 -22.061 -4.208 1.00 0.00 C ATOM 863 CG2 ILE A 58 -14.330 -23.265 -2.078 1.00 0.00 C ATOM 864 CD1 ILE A 58 -15.651 -20.850 -4.692 1.00 0.00 C ATOM 0 H ILE A 58 -14.965 -25.134 -3.013 1.00 0.00 H new ATOM 0 HA ILE A 58 -17.208 -23.801 -2.412 1.00 0.00 H new ATOM 0 HB ILE A 58 -15.918 -21.868 -2.342 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -13.844 -21.781 -4.046 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -14.893 -22.822 -4.989 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -13.588 -22.498 -1.856 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -14.743 -23.651 -1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -13.857 -24.078 -2.629 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -15.198 -20.476 -5.610 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -16.687 -21.128 -4.886 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -15.621 -20.072 -3.929 1.00 0.00 H new ATOM 876 N HIS A 59 -16.856 -23.883 -5.639 1.00 0.00 N ATOM 877 CA HIS A 59 -17.493 -23.575 -6.914 1.00 0.00 C ATOM 878 C HIS A 59 -18.875 -24.215 -7.000 1.00 0.00 C ATOM 879 O HIS A 59 -19.044 -25.272 -7.608 1.00 0.00 O ATOM 880 CB HIS A 59 -16.621 -24.059 -8.074 1.00 0.00 C ATOM 881 CG HIS A 59 -15.370 -23.256 -8.258 1.00 0.00 C ATOM 882 ND1 HIS A 59 -15.260 -22.234 -9.176 1.00 0.00 N ATOM 883 CD2 HIS A 59 -14.171 -23.330 -7.634 1.00 0.00 C ATOM 884 CE1 HIS A 59 -14.048 -21.714 -9.110 1.00 0.00 C ATOM 885 NE2 HIS A 59 -13.367 -22.361 -8.182 1.00 0.00 N ATOM 0 H HIS A 59 -16.092 -24.556 -5.701 1.00 0.00 H new ATOM 0 HA HIS A 59 -17.608 -22.493 -6.982 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -16.352 -25.102 -7.905 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -17.204 -24.025 -8.995 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -16.000 -21.927 -9.808 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -13.898 -24.022 -6.851 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -13.677 -20.898 -9.713 1.00 0.00 H new ATOM 893 N SER A 60 -19.861 -23.568 -6.386 1.00 0.00 N ATOM 894 CA SER A 60 -21.227 -24.077 -6.389 1.00 0.00 C ATOM 895 C SER A 60 -21.937 -23.721 -7.692 1.00 0.00 C ATOM 896 O SER A 60 -22.381 -24.600 -8.430 1.00 0.00 O ATOM 897 CB SER A 60 -22.007 -23.512 -5.200 1.00 0.00 C ATOM 898 OG SER A 60 -23.201 -24.242 -4.980 1.00 0.00 O ATOM 0 H SER A 60 -19.739 -22.691 -5.880 1.00 0.00 H new ATOM 0 HA SER A 60 -21.184 -25.163 -6.304 1.00 0.00 H new ATOM 0 HB2 SER A 60 -21.386 -23.546 -4.305 1.00 0.00 H new ATOM 0 HB3 SER A 60 -22.246 -22.464 -5.383 1.00 0.00 H new ATOM 0 HG SER A 60 -23.680 -23.862 -4.214 1.00 0.00 H new ATOM 904 N ASP A 61 -22.038 -22.425 -7.968 1.00 0.00 N ATOM 905 CA ASP A 61 -22.692 -21.951 -9.182 1.00 0.00 C ATOM 906 C ASP A 61 -22.174 -20.571 -9.575 1.00 0.00 C ATOM 907 O ASP A 61 -22.004 -19.697 -8.726 1.00 0.00 O ATOM 908 CB ASP A 61 -24.208 -21.903 -8.985 1.00 0.00 C ATOM 909 CG ASP A 61 -24.610 -21.064 -7.787 1.00 0.00 C ATOM 910 OD1 ASP A 61 -24.597 -19.821 -7.903 1.00 0.00 O ATOM 911 OD2 ASP A 61 -24.936 -21.651 -6.734 1.00 0.00 O ATOM 0 H ASP A 61 -21.675 -21.684 -7.368 1.00 0.00 H new ATOM 0 HA ASP A 61 -22.460 -22.649 -9.986 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -24.675 -21.497 -9.882 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -24.587 -22.917 -8.859 1.00 0.00 H new ATOM 916 N GLU A 62 -21.923 -20.385 -10.868 1.00 0.00 N ATOM 917 CA GLU A 62 -21.422 -19.112 -11.372 1.00 0.00 C ATOM 918 C GLU A 62 -22.343 -17.965 -10.966 1.00 0.00 C ATOM 919 O GLU A 62 -23.426 -18.187 -10.423 1.00 0.00 O ATOM 920 CB GLU A 62 -21.289 -19.158 -12.895 1.00 0.00 C ATOM 921 CG GLU A 62 -19.963 -19.726 -13.373 1.00 0.00 C ATOM 922 CD GLU A 62 -19.999 -21.233 -13.537 1.00 0.00 C ATOM 923 OE1 GLU A 62 -21.104 -21.782 -13.730 1.00 0.00 O ATOM 924 OE2 GLU A 62 -18.923 -21.863 -13.473 1.00 0.00 O ATOM 0 H GLU A 62 -22.058 -21.099 -11.584 1.00 0.00 H new ATOM 0 HA GLU A 62 -20.439 -18.939 -10.933 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -22.101 -19.759 -13.304 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -21.407 -18.150 -13.292 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -19.698 -19.267 -14.325 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -19.181 -19.460 -12.662 1.00 0.00 H new ATOM 931 N ARG A 63 -21.905 -16.739 -11.232 1.00 0.00 N ATOM 932 CA ARG A 63 -22.689 -15.557 -10.893 1.00 0.00 C ATOM 933 C ARG A 63 -22.469 -14.447 -11.916 1.00 0.00 C ATOM 934 O ARG A 63 -21.348 -13.988 -12.139 1.00 0.00 O ATOM 935 CB ARG A 63 -22.318 -15.057 -9.495 1.00 0.00 C ATOM 936 CG ARG A 63 -22.417 -16.127 -8.420 1.00 0.00 C ATOM 937 CD ARG A 63 -22.671 -15.518 -7.050 1.00 0.00 C ATOM 938 NE ARG A 63 -22.783 -16.538 -6.010 1.00 0.00 N ATOM 939 CZ ARG A 63 -21.760 -17.272 -5.587 1.00 0.00 C ATOM 940 NH1 ARG A 63 -20.554 -17.100 -6.112 1.00 0.00 N ATOM 941 NH2 ARG A 63 -21.941 -18.180 -4.637 1.00 0.00 N ATOM 0 H ARG A 63 -21.012 -16.538 -11.681 1.00 0.00 H new ATOM 0 HA ARG A 63 -23.743 -15.835 -10.905 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -21.300 -14.668 -9.516 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -22.972 -14.226 -9.230 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -23.222 -16.819 -8.667 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -21.494 -16.707 -8.396 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -21.860 -14.834 -6.801 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -23.587 -14.928 -7.080 1.00 0.00 H new ATOM 0 HE ARG A 63 -23.697 -16.695 -5.585 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -20.410 -16.403 -6.842 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -19.770 -17.665 -5.785 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -22.867 -18.315 -4.230 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -21.155 -18.743 -4.313 1.00 0.00 H new ATOM 955 N PRO A 64 -23.562 -14.006 -12.555 1.00 0.00 N ATOM 956 CA PRO A 64 -23.515 -12.944 -13.565 1.00 0.00 C ATOM 957 C PRO A 64 -23.198 -11.581 -12.960 1.00 0.00 C ATOM 958 O PRO A 64 -22.520 -10.759 -13.576 1.00 0.00 O ATOM 959 CB PRO A 64 -24.927 -12.953 -14.155 1.00 0.00 C ATOM 960 CG PRO A 64 -25.786 -13.514 -13.074 1.00 0.00 C ATOM 961 CD PRO A 64 -24.930 -14.508 -12.339 1.00 0.00 C ATOM 0 HA PRO A 64 -22.730 -13.116 -14.301 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -25.246 -11.949 -14.433 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -24.976 -13.564 -15.056 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -26.134 -12.728 -12.404 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -26.672 -13.994 -13.489 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -25.181 -14.548 -11.279 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -25.055 -15.516 -12.734 1.00 0.00 H new ATOM 969 N PHE A 65 -23.693 -11.348 -11.749 1.00 0.00 N ATOM 970 CA PHE A 65 -23.463 -10.083 -11.060 1.00 0.00 C ATOM 971 C PHE A 65 -22.204 -10.153 -10.200 1.00 0.00 C ATOM 972 O PHE A 65 -21.899 -11.189 -9.609 1.00 0.00 O ATOM 973 CB PHE A 65 -24.669 -9.725 -10.189 1.00 0.00 C ATOM 974 CG PHE A 65 -25.881 -9.322 -10.980 1.00 0.00 C ATOM 975 CD1 PHE A 65 -25.875 -8.163 -11.739 1.00 0.00 C ATOM 976 CD2 PHE A 65 -27.026 -10.102 -10.965 1.00 0.00 C ATOM 977 CE1 PHE A 65 -26.989 -7.789 -12.467 1.00 0.00 C ATOM 978 CE2 PHE A 65 -28.143 -9.734 -11.691 1.00 0.00 C ATOM 979 CZ PHE A 65 -28.123 -8.576 -12.444 1.00 0.00 C ATOM 0 H PHE A 65 -24.256 -12.018 -11.225 1.00 0.00 H new ATOM 0 HA PHE A 65 -23.325 -9.308 -11.814 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -24.922 -10.581 -9.563 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -24.394 -8.910 -9.519 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -24.990 -7.545 -11.762 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -27.046 -11.009 -10.379 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -26.972 -6.882 -13.053 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -29.030 -10.350 -11.670 1.00 0.00 H new ATOM 0 HZ PHE A 65 -28.993 -8.287 -13.014 1.00 0.00 H new ATOM 989 N LYS A 66 -21.476 -9.043 -10.137 1.00 0.00 N ATOM 990 CA LYS A 66 -20.250 -8.976 -9.350 1.00 0.00 C ATOM 991 C LYS A 66 -20.030 -7.568 -8.806 1.00 0.00 C ATOM 992 O LYS A 66 -20.480 -6.586 -9.396 1.00 0.00 O ATOM 993 CB LYS A 66 -19.051 -9.399 -10.200 1.00 0.00 C ATOM 994 CG LYS A 66 -19.177 -10.799 -10.776 1.00 0.00 C ATOM 995 CD LYS A 66 -18.197 -11.024 -11.915 1.00 0.00 C ATOM 996 CE LYS A 66 -18.731 -12.037 -12.917 1.00 0.00 C ATOM 997 NZ LYS A 66 -19.902 -11.508 -13.669 1.00 0.00 N ATOM 0 H LYS A 66 -21.714 -8.178 -10.622 1.00 0.00 H new ATOM 0 HA LYS A 66 -20.350 -9.661 -8.508 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -18.927 -8.689 -11.017 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -18.148 -9.345 -9.592 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -18.999 -11.534 -9.991 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -20.195 -10.956 -11.134 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.002 -10.078 -12.421 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -17.246 -11.374 -11.514 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -17.941 -12.306 -13.618 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -19.017 -12.949 -12.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -20.216 -12.214 -14.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.678 -11.307 -13.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -19.632 -10.633 -14.162 1.00 0.00 H new ATOM 1011 N CYS A 67 -19.334 -7.477 -7.678 1.00 0.00 N ATOM 1012 CA CYS A 67 -19.052 -6.189 -7.054 1.00 0.00 C ATOM 1013 C CYS A 67 -17.658 -5.696 -7.431 1.00 0.00 C ATOM 1014 O CYS A 67 -16.818 -6.470 -7.888 1.00 0.00 O ATOM 1015 CB CYS A 67 -19.172 -6.299 -5.533 1.00 0.00 C ATOM 1016 SG CYS A 67 -19.162 -4.695 -4.669 1.00 0.00 S ATOM 0 H CYS A 67 -18.954 -8.280 -7.177 1.00 0.00 H new ATOM 0 HA CYS A 67 -19.784 -5.468 -7.418 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -20.095 -6.825 -5.289 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -18.349 -6.907 -5.157 1.00 0.00 H new ATOM 1021 N GLN A 68 -17.421 -4.403 -7.235 1.00 0.00 N ATOM 1022 CA GLN A 68 -16.130 -3.806 -7.555 1.00 0.00 C ATOM 1023 C GLN A 68 -15.266 -3.675 -6.305 1.00 0.00 C ATOM 1024 O GLN A 68 -14.169 -4.229 -6.236 1.00 0.00 O ATOM 1025 CB GLN A 68 -16.324 -2.433 -8.201 1.00 0.00 C ATOM 1026 CG GLN A 68 -16.755 -2.502 -9.657 1.00 0.00 C ATOM 1027 CD GLN A 68 -15.675 -3.064 -10.560 1.00 0.00 C ATOM 1028 OE1 GLN A 68 -14.578 -3.389 -10.106 1.00 0.00 O ATOM 1029 NE2 GLN A 68 -15.981 -3.183 -11.847 1.00 0.00 N ATOM 0 H GLN A 68 -18.106 -3.749 -6.856 1.00 0.00 H new ATOM 0 HA GLN A 68 -15.620 -4.462 -8.260 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -17.071 -1.877 -7.635 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -15.391 -1.873 -8.133 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.649 -3.120 -9.738 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -17.026 -1.503 -9.999 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -16.903 -2.901 -12.180 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.294 -3.556 -12.502 1.00 0.00 H new ATOM 1038 N ILE A 69 -15.768 -2.939 -5.319 1.00 0.00 N ATOM 1039 CA ILE A 69 -15.043 -2.736 -4.072 1.00 0.00 C ATOM 1040 C ILE A 69 -14.566 -4.064 -3.491 1.00 0.00 C ATOM 1041 O ILE A 69 -13.467 -4.155 -2.944 1.00 0.00 O ATOM 1042 CB ILE A 69 -15.912 -2.014 -3.026 1.00 0.00 C ATOM 1043 CG1 ILE A 69 -16.430 -0.689 -3.588 1.00 0.00 C ATOM 1044 CG2 ILE A 69 -15.119 -1.780 -1.749 1.00 0.00 C ATOM 1045 CD1 ILE A 69 -17.764 -0.269 -3.013 1.00 0.00 C ATOM 0 H ILE A 69 -16.675 -2.473 -5.360 1.00 0.00 H new ATOM 0 HA ILE A 69 -14.180 -2.113 -4.307 1.00 0.00 H new ATOM 0 HB ILE A 69 -16.768 -2.646 -2.788 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -15.696 0.092 -3.390 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -16.521 -0.774 -4.671 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -15.747 -1.269 -1.019 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -14.795 -2.738 -1.341 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -14.246 -1.166 -1.970 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -18.069 0.679 -3.457 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -18.512 -1.031 -3.234 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -17.674 -0.152 -1.933 1.00 0.00 H new ATOM 1057 N CYS A 70 -15.400 -5.091 -3.616 1.00 0.00 N ATOM 1058 CA CYS A 70 -15.064 -6.415 -3.105 1.00 0.00 C ATOM 1059 C CYS A 70 -15.331 -7.487 -4.158 1.00 0.00 C ATOM 1060 O CYS A 70 -16.186 -7.337 -5.031 1.00 0.00 O ATOM 1061 CB CYS A 70 -15.870 -6.715 -1.840 1.00 0.00 C ATOM 1062 SG CYS A 70 -17.648 -6.975 -2.135 1.00 0.00 S ATOM 0 H CYS A 70 -16.313 -5.032 -4.067 1.00 0.00 H new ATOM 0 HA CYS A 70 -14.002 -6.426 -2.862 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -15.458 -7.604 -1.362 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -15.746 -5.890 -1.139 1.00 0.00 H new ATOM 1067 N PRO A 71 -14.582 -8.597 -4.075 1.00 0.00 N ATOM 1068 CA PRO A 71 -14.719 -9.716 -5.011 1.00 0.00 C ATOM 1069 C PRO A 71 -16.031 -10.470 -4.824 1.00 0.00 C ATOM 1070 O PRO A 71 -16.271 -11.489 -5.473 1.00 0.00 O ATOM 1071 CB PRO A 71 -13.531 -10.617 -4.663 1.00 0.00 C ATOM 1072 CG PRO A 71 -13.219 -10.301 -3.241 1.00 0.00 C ATOM 1073 CD PRO A 71 -13.544 -8.844 -3.060 1.00 0.00 C ATOM 0 HA PRO A 71 -14.728 -9.381 -6.048 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.783 -11.670 -4.788 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.678 -10.414 -5.310 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -13.810 -10.919 -2.565 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.170 -10.498 -3.019 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -13.908 -8.636 -2.054 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -12.669 -8.214 -3.219 1.00 0.00 H new ATOM 1081 N TYR A 72 -16.878 -9.964 -3.935 1.00 0.00 N ATOM 1082 CA TYR A 72 -18.166 -10.591 -3.662 1.00 0.00 C ATOM 1083 C TYR A 72 -18.863 -10.989 -4.959 1.00 0.00 C ATOM 1084 O TYR A 72 -18.448 -10.592 -6.047 1.00 0.00 O ATOM 1085 CB TYR A 72 -19.058 -9.643 -2.860 1.00 0.00 C ATOM 1086 CG TYR A 72 -20.460 -10.168 -2.645 1.00 0.00 C ATOM 1087 CD1 TYR A 72 -20.698 -11.242 -1.796 1.00 0.00 C ATOM 1088 CD2 TYR A 72 -21.546 -9.591 -3.291 1.00 0.00 C ATOM 1089 CE1 TYR A 72 -21.976 -11.725 -1.597 1.00 0.00 C ATOM 1090 CE2 TYR A 72 -22.828 -10.067 -3.097 1.00 0.00 C ATOM 1091 CZ TYR A 72 -23.038 -11.134 -2.249 1.00 0.00 C ATOM 1092 OH TYR A 72 -24.314 -11.612 -2.054 1.00 0.00 O ATOM 0 H TYR A 72 -16.696 -9.121 -3.391 1.00 0.00 H new ATOM 0 HA TYR A 72 -17.986 -11.492 -3.076 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -18.596 -9.456 -1.890 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -19.113 -8.685 -3.377 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -19.869 -11.707 -1.283 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -21.385 -8.756 -3.956 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -22.143 -12.561 -0.934 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -23.661 -9.606 -3.607 1.00 0.00 H new ATOM 0 HH TYR A 72 -24.957 -10.879 -2.155 1.00 0.00 H new ATOM 1102 N ALA A 73 -19.927 -11.777 -4.833 1.00 0.00 N ATOM 1103 CA ALA A 73 -20.685 -12.227 -5.994 1.00 0.00 C ATOM 1104 C ALA A 73 -22.061 -12.740 -5.585 1.00 0.00 C ATOM 1105 O ALA A 73 -22.213 -13.375 -4.542 1.00 0.00 O ATOM 1106 CB ALA A 73 -19.916 -13.309 -6.739 1.00 0.00 C ATOM 0 H ALA A 73 -20.283 -12.116 -3.939 1.00 0.00 H new ATOM 0 HA ALA A 73 -20.826 -11.374 -6.658 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -20.494 -13.636 -7.604 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -18.958 -12.910 -7.072 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -19.745 -14.157 -6.075 1.00 0.00 H new ATOM 1112 N SER A 74 -23.062 -12.459 -6.413 1.00 0.00 N ATOM 1113 CA SER A 74 -24.428 -12.888 -6.135 1.00 0.00 C ATOM 1114 C SER A 74 -25.181 -13.178 -7.430 1.00 0.00 C ATOM 1115 O SER A 74 -24.872 -12.614 -8.480 1.00 0.00 O ATOM 1116 CB SER A 74 -25.168 -11.818 -5.331 1.00 0.00 C ATOM 1117 OG SER A 74 -25.221 -10.592 -6.040 1.00 0.00 O ATOM 0 H SER A 74 -22.953 -11.936 -7.282 1.00 0.00 H new ATOM 0 HA SER A 74 -24.381 -13.806 -5.549 1.00 0.00 H new ATOM 0 HB2 SER A 74 -26.180 -12.159 -5.112 1.00 0.00 H new ATOM 0 HB3 SER A 74 -24.668 -11.667 -4.374 1.00 0.00 H new ATOM 0 HG SER A 74 -25.701 -9.925 -5.505 1.00 0.00 H new ATOM 1123 N ARG A 75 -26.170 -14.061 -7.347 1.00 0.00 N ATOM 1124 CA ARG A 75 -26.967 -14.427 -8.512 1.00 0.00 C ATOM 1125 C ARG A 75 -28.128 -13.456 -8.703 1.00 0.00 C ATOM 1126 O ARG A 75 -28.328 -12.920 -9.792 1.00 0.00 O ATOM 1127 CB ARG A 75 -27.500 -15.854 -8.363 1.00 0.00 C ATOM 1128 CG ARG A 75 -26.573 -16.913 -8.935 1.00 0.00 C ATOM 1129 CD ARG A 75 -26.853 -17.161 -10.409 1.00 0.00 C ATOM 1130 NE ARG A 75 -26.346 -18.458 -10.852 1.00 0.00 N ATOM 1131 CZ ARG A 75 -26.673 -19.017 -12.011 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -27.501 -18.397 -12.841 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -26.170 -20.200 -12.344 1.00 0.00 N ATOM 0 H ARG A 75 -26.439 -14.536 -6.486 1.00 0.00 H new ATOM 0 HA ARG A 75 -26.325 -14.376 -9.391 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -27.667 -16.062 -7.306 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -28.468 -15.925 -8.859 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -25.537 -16.598 -8.808 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -26.694 -17.843 -8.379 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -27.927 -17.112 -10.587 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -26.395 -16.370 -11.003 1.00 0.00 H new ATOM 0 HE ARG A 75 -25.706 -18.961 -10.237 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -27.889 -17.488 -12.590 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -27.750 -18.829 -13.731 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -25.532 -20.680 -11.709 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -26.422 -20.629 -13.235 1.00 0.00 H new ATOM 1147 N ASN A 76 -28.891 -13.236 -7.637 1.00 0.00 N ATOM 1148 CA ASN A 76 -30.033 -12.330 -7.688 1.00 0.00 C ATOM 1149 C ASN A 76 -29.600 -10.933 -8.123 1.00 0.00 C ATOM 1150 O ASN A 76 -28.415 -10.676 -8.331 1.00 0.00 O ATOM 1151 CB ASN A 76 -30.718 -12.262 -6.322 1.00 0.00 C ATOM 1152 CG ASN A 76 -31.357 -13.580 -5.929 1.00 0.00 C ATOM 1153 OD1 ASN A 76 -32.287 -14.051 -6.585 1.00 0.00 O ATOM 1154 ND2 ASN A 76 -30.862 -14.181 -4.854 1.00 0.00 N ATOM 0 H ASN A 76 -28.739 -13.673 -6.728 1.00 0.00 H new ATOM 0 HA ASN A 76 -30.740 -12.717 -8.422 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -29.987 -11.976 -5.566 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -31.480 -11.483 -6.339 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -31.253 -15.070 -4.541 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -30.091 -13.754 -4.341 1.00 0.00 H new ATOM 1161 N SER A 77 -30.570 -10.035 -8.258 1.00 0.00 N ATOM 1162 CA SER A 77 -30.291 -8.664 -8.671 1.00 0.00 C ATOM 1163 C SER A 77 -30.421 -7.704 -7.492 1.00 0.00 C ATOM 1164 O SER A 77 -29.471 -7.007 -7.137 1.00 0.00 O ATOM 1165 CB SER A 77 -31.241 -8.244 -9.794 1.00 0.00 C ATOM 1166 OG SER A 77 -30.936 -8.921 -11.000 1.00 0.00 O ATOM 0 H SER A 77 -31.556 -10.232 -8.088 1.00 0.00 H new ATOM 0 HA SER A 77 -29.266 -8.623 -9.038 1.00 0.00 H new ATOM 0 HB2 SER A 77 -32.270 -8.458 -9.503 1.00 0.00 H new ATOM 0 HB3 SER A 77 -31.171 -7.167 -9.950 1.00 0.00 H new ATOM 0 HG SER A 77 -29.982 -8.819 -11.200 1.00 0.00 H new ATOM 1172 N SER A 78 -31.606 -7.675 -6.890 1.00 0.00 N ATOM 1173 CA SER A 78 -31.864 -6.798 -5.754 1.00 0.00 C ATOM 1174 C SER A 78 -30.869 -7.061 -4.628 1.00 0.00 C ATOM 1175 O SER A 78 -30.718 -6.248 -3.717 1.00 0.00 O ATOM 1176 CB SER A 78 -33.293 -6.996 -5.244 1.00 0.00 C ATOM 1177 OG SER A 78 -33.520 -8.345 -4.874 1.00 0.00 O ATOM 0 H SER A 78 -32.402 -8.248 -7.170 1.00 0.00 H new ATOM 0 HA SER A 78 -31.745 -5.767 -6.088 1.00 0.00 H new ATOM 0 HB2 SER A 78 -33.470 -6.346 -4.387 1.00 0.00 H new ATOM 0 HB3 SER A 78 -34.003 -6.704 -6.018 1.00 0.00 H new ATOM 0 HG SER A 78 -34.439 -8.445 -4.550 1.00 0.00 H new ATOM 1183 N GLN A 79 -30.193 -8.203 -4.699 1.00 0.00 N ATOM 1184 CA GLN A 79 -29.213 -8.575 -3.685 1.00 0.00 C ATOM 1185 C GLN A 79 -27.962 -7.708 -3.794 1.00 0.00 C ATOM 1186 O GLN A 79 -27.465 -7.189 -2.794 1.00 0.00 O ATOM 1187 CB GLN A 79 -28.838 -10.051 -3.824 1.00 0.00 C ATOM 1188 CG GLN A 79 -29.719 -10.982 -3.007 1.00 0.00 C ATOM 1189 CD GLN A 79 -29.181 -11.216 -1.609 1.00 0.00 C ATOM 1190 OE1 GLN A 79 -28.190 -11.922 -1.422 1.00 0.00 O ATOM 1191 NE2 GLN A 79 -29.833 -10.622 -0.616 1.00 0.00 N ATOM 0 H GLN A 79 -30.306 -8.887 -5.448 1.00 0.00 H new ATOM 0 HA GLN A 79 -29.662 -8.413 -2.705 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -28.899 -10.335 -4.874 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -27.800 -10.184 -3.517 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -30.722 -10.561 -2.941 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -29.808 -11.938 -3.523 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -30.650 -10.045 -0.816 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -29.517 -10.743 0.346 1.00 0.00 H new ATOM 1200 N LEU A 80 -27.458 -7.557 -5.014 1.00 0.00 N ATOM 1201 CA LEU A 80 -26.264 -6.753 -5.254 1.00 0.00 C ATOM 1202 C LEU A 80 -26.533 -5.280 -4.964 1.00 0.00 C ATOM 1203 O LEU A 80 -25.640 -4.547 -4.536 1.00 0.00 O ATOM 1204 CB LEU A 80 -25.794 -6.923 -6.699 1.00 0.00 C ATOM 1205 CG LEU A 80 -24.455 -6.272 -7.050 1.00 0.00 C ATOM 1206 CD1 LEU A 80 -23.302 -7.082 -6.477 1.00 0.00 C ATOM 1207 CD2 LEU A 80 -24.311 -6.128 -8.558 1.00 0.00 C ATOM 0 H LEU A 80 -27.857 -7.980 -5.852 1.00 0.00 H new ATOM 0 HA LEU A 80 -25.480 -7.099 -4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -25.724 -7.989 -6.914 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -26.559 -6.514 -7.359 1.00 0.00 H new ATOM 0 HG LEU A 80 -24.429 -5.277 -6.606 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -22.357 -6.604 -6.737 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -23.397 -7.133 -5.392 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -23.324 -8.090 -6.891 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -23.353 -5.663 -8.789 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -24.359 -7.112 -9.024 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -25.119 -5.505 -8.943 1.00 0.00 H new ATOM 1219 N THR A 81 -27.769 -4.852 -5.197 1.00 0.00 N ATOM 1220 CA THR A 81 -28.156 -3.467 -4.960 1.00 0.00 C ATOM 1221 C THR A 81 -27.975 -3.088 -3.494 1.00 0.00 C ATOM 1222 O THR A 81 -27.310 -2.104 -3.174 1.00 0.00 O ATOM 1223 CB THR A 81 -29.620 -3.215 -5.366 1.00 0.00 C ATOM 1224 OG1 THR A 81 -29.805 -3.527 -6.752 1.00 0.00 O ATOM 1225 CG2 THR A 81 -30.011 -1.767 -5.112 1.00 0.00 C ATOM 0 H THR A 81 -28.520 -5.445 -5.550 1.00 0.00 H new ATOM 0 HA THR A 81 -27.504 -2.848 -5.576 1.00 0.00 H new ATOM 0 HB THR A 81 -30.257 -3.859 -4.760 1.00 0.00 H new ATOM 0 HG1 THR A 81 -30.739 -3.366 -7.002 1.00 0.00 H new ATOM 0 HG21 THR A 81 -31.049 -1.613 -5.407 1.00 0.00 H new ATOM 0 HG22 THR A 81 -29.897 -1.540 -4.052 1.00 0.00 H new ATOM 0 HG23 THR A 81 -29.367 -1.109 -5.695 1.00 0.00 H new ATOM 1233 N VAL A 82 -28.572 -3.878 -2.606 1.00 0.00 N ATOM 1234 CA VAL A 82 -28.475 -3.626 -1.173 1.00 0.00 C ATOM 1235 C VAL A 82 -27.060 -3.880 -0.665 1.00 0.00 C ATOM 1236 O VAL A 82 -26.553 -3.146 0.183 1.00 0.00 O ATOM 1237 CB VAL A 82 -29.459 -4.508 -0.381 1.00 0.00 C ATOM 1238 CG1 VAL A 82 -29.309 -4.266 1.113 1.00 0.00 C ATOM 1239 CG2 VAL A 82 -30.888 -4.246 -0.831 1.00 0.00 C ATOM 0 H VAL A 82 -29.127 -4.697 -2.854 1.00 0.00 H new ATOM 0 HA VAL A 82 -28.731 -2.578 -1.017 1.00 0.00 H new ATOM 0 HB VAL A 82 -29.225 -5.554 -0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -30.012 -4.898 1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -28.292 -4.508 1.420 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -29.516 -3.219 1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -31.570 -4.877 -0.262 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -31.136 -3.198 -0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -30.983 -4.475 -1.893 1.00 0.00 H new ATOM 1249 N HIS A 83 -26.427 -4.925 -1.190 1.00 0.00 N ATOM 1250 CA HIS A 83 -25.069 -5.275 -0.790 1.00 0.00 C ATOM 1251 C HIS A 83 -24.152 -4.058 -0.855 1.00 0.00 C ATOM 1252 O HIS A 83 -23.459 -3.737 0.112 1.00 0.00 O ATOM 1253 CB HIS A 83 -24.522 -6.387 -1.686 1.00 0.00 C ATOM 1254 CG HIS A 83 -23.026 -6.452 -1.715 1.00 0.00 C ATOM 1255 ND1 HIS A 83 -22.298 -7.360 -0.976 1.00 0.00 N ATOM 1256 CD2 HIS A 83 -22.122 -5.716 -2.402 1.00 0.00 C ATOM 1257 CE1 HIS A 83 -21.009 -7.178 -1.205 1.00 0.00 C ATOM 1258 NE2 HIS A 83 -20.876 -6.186 -2.068 1.00 0.00 N ATOM 0 H HIS A 83 -26.833 -5.543 -1.893 1.00 0.00 H new ATOM 0 HA HIS A 83 -25.101 -5.630 0.240 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -24.912 -7.345 -1.342 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -24.891 -6.239 -2.701 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -22.692 -8.062 -0.350 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -22.340 -4.909 -3.086 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -20.202 -7.743 -0.762 1.00 0.00 H new ATOM 1266 N LEU A 84 -24.152 -3.383 -1.999 1.00 0.00 N ATOM 1267 CA LEU A 84 -23.320 -2.200 -2.190 1.00 0.00 C ATOM 1268 C LEU A 84 -23.481 -1.227 -1.026 1.00 0.00 C ATOM 1269 O LEU A 84 -22.496 -0.737 -0.473 1.00 0.00 O ATOM 1270 CB LEU A 84 -23.681 -1.505 -3.504 1.00 0.00 C ATOM 1271 CG LEU A 84 -23.248 -2.222 -4.783 1.00 0.00 C ATOM 1272 CD1 LEU A 84 -23.961 -1.634 -5.991 1.00 0.00 C ATOM 1273 CD2 LEU A 84 -21.739 -2.136 -4.958 1.00 0.00 C ATOM 0 H LEU A 84 -24.719 -3.635 -2.809 1.00 0.00 H new ATOM 0 HA LEU A 84 -22.279 -2.521 -2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -24.762 -1.370 -3.535 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -23.235 -0.510 -3.500 1.00 0.00 H new ATOM 0 HG LEU A 84 -23.524 -3.273 -4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -23.641 -2.156 -6.892 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -25.038 -1.748 -5.869 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -23.716 -0.576 -6.079 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -21.449 -2.652 -5.873 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -21.439 -1.090 -5.020 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -21.247 -2.605 -4.106 1.00 0.00 H new ATOM 1285 N ARG A 85 -24.728 -0.955 -0.657 1.00 0.00 N ATOM 1286 CA ARG A 85 -25.018 -0.042 0.442 1.00 0.00 C ATOM 1287 C ARG A 85 -24.130 -0.342 1.647 1.00 0.00 C ATOM 1288 O ARG A 85 -23.566 0.566 2.256 1.00 0.00 O ATOM 1289 CB ARG A 85 -26.491 -0.143 0.843 1.00 0.00 C ATOM 1290 CG ARG A 85 -27.453 0.192 -0.285 1.00 0.00 C ATOM 1291 CD ARG A 85 -28.845 0.499 0.244 1.00 0.00 C ATOM 1292 NE ARG A 85 -28.840 1.618 1.182 1.00 0.00 N ATOM 1293 CZ ARG A 85 -28.680 1.477 2.493 1.00 0.00 C ATOM 1294 NH1 ARG A 85 -28.513 0.271 3.018 1.00 0.00 N ATOM 1295 NH2 ARG A 85 -28.687 2.544 3.282 1.00 0.00 N ATOM 0 H ARG A 85 -25.554 -1.354 -1.103 1.00 0.00 H new ATOM 0 HA ARG A 85 -24.810 0.973 0.102 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -26.695 -1.154 1.195 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -26.678 0.529 1.680 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -27.077 1.050 -0.843 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -27.504 -0.644 -0.982 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -29.507 0.729 -0.591 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -29.249 -0.385 0.737 1.00 0.00 H new ATOM 0 HE ARG A 85 -28.966 2.559 0.810 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -28.507 -0.551 2.415 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -28.390 0.166 4.025 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -28.815 3.473 2.882 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -28.564 2.435 4.289 1.00 0.00 H new ATOM 1309 N SER A 86 -24.012 -1.623 1.984 1.00 0.00 N ATOM 1310 CA SER A 86 -23.197 -2.042 3.118 1.00 0.00 C ATOM 1311 C SER A 86 -21.843 -1.341 3.103 1.00 0.00 C ATOM 1312 O SER A 86 -21.320 -0.951 4.148 1.00 0.00 O ATOM 1313 CB SER A 86 -22.999 -3.559 3.096 1.00 0.00 C ATOM 1314 OG SER A 86 -24.233 -4.237 3.255 1.00 0.00 O ATOM 0 H SER A 86 -24.470 -2.388 1.488 1.00 0.00 H new ATOM 0 HA SER A 86 -23.720 -1.763 4.033 1.00 0.00 H new ATOM 0 HB2 SER A 86 -22.537 -3.855 2.154 1.00 0.00 H new ATOM 0 HB3 SER A 86 -22.315 -3.851 3.893 1.00 0.00 H new ATOM 0 HG SER A 86 -24.079 -5.205 3.236 1.00 0.00 H new ATOM 1320 N HIS A 87 -21.278 -1.183 1.909 1.00 0.00 N ATOM 1321 CA HIS A 87 -19.984 -0.527 1.756 1.00 0.00 C ATOM 1322 C HIS A 87 -20.070 0.944 2.152 1.00 0.00 C ATOM 1323 O HIS A 87 -20.287 1.814 1.308 1.00 0.00 O ATOM 1324 CB HIS A 87 -19.493 -0.651 0.314 1.00 0.00 C ATOM 1325 CG HIS A 87 -19.144 -2.053 -0.081 1.00 0.00 C ATOM 1326 ND1 HIS A 87 -18.283 -2.848 0.646 1.00 0.00 N ATOM 1327 CD2 HIS A 87 -19.545 -2.802 -1.135 1.00 0.00 C ATOM 1328 CE1 HIS A 87 -18.169 -4.024 0.057 1.00 0.00 C ATOM 1329 NE2 HIS A 87 -18.925 -4.023 -1.027 1.00 0.00 N ATOM 0 H HIS A 87 -21.696 -1.500 1.034 1.00 0.00 H new ATOM 0 HA HIS A 87 -19.273 -1.022 2.418 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -20.265 -0.274 -0.358 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -18.617 -0.016 0.181 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -17.808 -2.571 1.505 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -20.226 -2.496 -1.916 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -17.561 -4.847 0.402 1.00 0.00 H new ATOM 1337 N THR A 88 -19.899 1.216 3.442 1.00 0.00 N ATOM 1338 CA THR A 88 -19.959 2.580 3.951 1.00 0.00 C ATOM 1339 C THR A 88 -18.592 3.046 4.438 1.00 0.00 C ATOM 1340 O THR A 88 -18.139 2.655 5.513 1.00 0.00 O ATOM 1341 CB THR A 88 -20.973 2.706 5.103 1.00 0.00 C ATOM 1342 OG1 THR A 88 -20.716 1.705 6.094 1.00 0.00 O ATOM 1343 CG2 THR A 88 -22.398 2.564 4.589 1.00 0.00 C ATOM 0 H THR A 88 -19.718 0.508 4.154 1.00 0.00 H new ATOM 0 HA THR A 88 -20.281 3.212 3.123 1.00 0.00 H new ATOM 0 HB THR A 88 -20.862 3.695 5.548 1.00 0.00 H new ATOM 0 HG1 THR A 88 -19.749 1.620 6.230 1.00 0.00 H new ATOM 0 HG21 THR A 88 -23.096 2.657 5.421 1.00 0.00 H new ATOM 0 HG22 THR A 88 -22.600 3.346 3.857 1.00 0.00 H new ATOM 0 HG23 THR A 88 -22.520 1.588 4.120 1.00 0.00 H new ATOM 1351 N GLY A 89 -17.939 3.885 3.640 1.00 0.00 N ATOM 1352 CA GLY A 89 -16.629 4.391 4.008 1.00 0.00 C ATOM 1353 C GLY A 89 -16.364 5.774 3.448 1.00 0.00 C ATOM 1354 O GLY A 89 -17.273 6.599 3.354 1.00 0.00 O ATOM 0 H GLY A 89 -18.293 4.223 2.745 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -16.546 4.420 5.094 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -15.863 3.704 3.648 1.00 0.00 H new ATOM 1358 N ASP A 90 -15.115 6.030 3.075 1.00 0.00 N ATOM 1359 CA ASP A 90 -14.731 7.324 2.522 1.00 0.00 C ATOM 1360 C ASP A 90 -15.195 8.461 3.427 1.00 0.00 C ATOM 1361 O ASP A 90 -15.770 9.444 2.960 1.00 0.00 O ATOM 1362 CB ASP A 90 -15.320 7.498 1.121 1.00 0.00 C ATOM 1363 CG ASP A 90 -14.834 6.437 0.153 1.00 0.00 C ATOM 1364 OD1 ASP A 90 -15.359 5.305 0.202 1.00 0.00 O ATOM 1365 OD2 ASP A 90 -13.928 6.738 -0.652 1.00 0.00 O ATOM 0 H ASP A 90 -14.351 5.358 3.145 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.643 7.356 2.457 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -16.408 7.461 1.180 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -15.055 8.484 0.738 1.00 0.00 H new ATOM 1370 N SER A 91 -14.942 8.319 4.724 1.00 0.00 N ATOM 1371 CA SER A 91 -15.338 9.332 5.695 1.00 0.00 C ATOM 1372 C SER A 91 -14.211 9.603 6.687 1.00 0.00 C ATOM 1373 O SER A 91 -13.783 8.710 7.417 1.00 0.00 O ATOM 1374 CB SER A 91 -16.596 8.888 6.443 1.00 0.00 C ATOM 1375 OG SER A 91 -17.345 10.004 6.890 1.00 0.00 O ATOM 0 H SER A 91 -14.465 7.512 5.127 1.00 0.00 H new ATOM 0 HA SER A 91 -15.552 10.254 5.155 1.00 0.00 H new ATOM 0 HB2 SER A 91 -17.212 8.271 5.789 1.00 0.00 H new ATOM 0 HB3 SER A 91 -16.316 8.269 7.295 1.00 0.00 H new ATOM 0 HG SER A 91 -18.145 9.693 7.363 1.00 0.00 H new ATOM 1381 N GLY A 92 -13.735 10.845 6.709 1.00 0.00 N ATOM 1382 CA GLY A 92 -12.662 11.212 7.614 1.00 0.00 C ATOM 1383 C GLY A 92 -11.315 10.688 7.160 1.00 0.00 C ATOM 1384 O GLY A 92 -10.766 9.746 7.733 1.00 0.00 O ATOM 0 H GLY A 92 -14.074 11.603 6.116 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.617 12.298 7.697 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -12.882 10.825 8.609 1.00 0.00 H new ATOM 1388 N PRO A 93 -10.760 11.304 6.106 1.00 0.00 N ATOM 1389 CA PRO A 93 -9.462 10.910 5.551 1.00 0.00 C ATOM 1390 C PRO A 93 -8.305 11.252 6.484 1.00 0.00 C ATOM 1391 O PRO A 93 -7.904 12.410 6.592 1.00 0.00 O ATOM 1392 CB PRO A 93 -9.366 11.725 4.259 1.00 0.00 C ATOM 1393 CG PRO A 93 -10.236 12.911 4.494 1.00 0.00 C ATOM 1394 CD PRO A 93 -11.358 12.434 5.374 1.00 0.00 C ATOM 0 HA PRO A 93 -9.394 9.833 5.397 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.338 12.023 4.054 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -9.708 11.147 3.400 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.678 13.715 4.974 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -10.619 13.306 3.553 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -11.698 13.217 6.052 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -12.223 12.121 4.789 1.00 0.00 H new ATOM 1402 N SER A 94 -7.772 10.236 7.155 1.00 0.00 N ATOM 1403 CA SER A 94 -6.663 10.430 8.081 1.00 0.00 C ATOM 1404 C SER A 94 -5.348 10.601 7.326 1.00 0.00 C ATOM 1405 O SER A 94 -4.767 9.631 6.840 1.00 0.00 O ATOM 1406 CB SER A 94 -6.560 9.244 9.043 1.00 0.00 C ATOM 1407 OG SER A 94 -6.317 8.038 8.341 1.00 0.00 O ATOM 0 H SER A 94 -8.090 9.270 7.075 1.00 0.00 H new ATOM 0 HA SER A 94 -6.855 11.338 8.653 1.00 0.00 H new ATOM 0 HB2 SER A 94 -5.756 9.420 9.758 1.00 0.00 H new ATOM 0 HB3 SER A 94 -7.483 9.155 9.616 1.00 0.00 H new ATOM 0 HG SER A 94 -5.666 8.201 7.627 1.00 0.00 H new ATOM 1413 N SER A 95 -4.885 11.844 7.232 1.00 0.00 N ATOM 1414 CA SER A 95 -3.641 12.145 6.532 1.00 0.00 C ATOM 1415 C SER A 95 -3.539 11.345 5.237 1.00 0.00 C ATOM 1416 O SER A 95 -2.477 10.824 4.899 1.00 0.00 O ATOM 1417 CB SER A 95 -2.440 11.840 7.430 1.00 0.00 C ATOM 1418 OG SER A 95 -2.523 10.531 7.965 1.00 0.00 O ATOM 0 H SER A 95 -5.352 12.658 7.631 1.00 0.00 H new ATOM 0 HA SER A 95 -3.640 13.206 6.283 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.518 11.945 6.858 1.00 0.00 H new ATOM 0 HB3 SER A 95 -2.395 12.566 8.242 1.00 0.00 H new ATOM 0 HG SER A 95 -3.086 9.976 7.386 1.00 0.00 H new ATOM 1424 N GLY A 96 -4.652 11.252 4.516 1.00 0.00 N ATOM 1425 CA GLY A 96 -4.667 10.514 3.267 1.00 0.00 C ATOM 1426 C GLY A 96 -4.833 9.022 3.476 1.00 0.00 C ATOM 1427 O GLY A 96 -5.754 8.436 2.910 1.00 0.00 O ATOM 0 H GLY A 96 -5.544 11.675 4.775 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -5.480 10.882 2.641 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.739 10.701 2.727 1.00 0.00 H new TER 1431 GLY A 96 HETATM 1432 ZN ZN A 191 -2.834 -8.271 -7.593 1.00 0.00 ZN HETATM 1433 ZN ZN A 241 -11.440 -21.697 -8.275 1.00 0.00 ZN HETATM 1434 ZN ZN A 291 -19.018 -5.290 -2.447 1.00 0.00 ZN