USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 373 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 40 CYS SG : rot 41:sc= -0.909 USER MOD Set 1.2: A 43 CYS SG : rot -50:sc= -0.0604 USER MOD Set 1.3: A 55 HIS : no HE2:sc= 0.597 K(o=0.28,f=-3.1) USER MOD Set 1.4: A 58 CYS SG : rot -49:sc= 0.655 USER MOD Set 2.1: A 13 CYS SG : rot 77:sc= 0.759 USER MOD Set 2.2: A 16 CYS SG : rot -54:sc= -0.305 USER MOD Set 2.3: A 28 HIS : no HD1:sc= 0.213 K(o=1.1,f=-2.2) USER MOD Set 2.4: A 32 CYS SG : rot 136:sc= -0.693 USER MOD Set 2.5: A 35 CYS SG : rot -56:sc= 1.17 USER MOD Single : A 8 MET CE :methyl -143:sc= -2.16! (180deg=-3.54!) USER MOD Single : A 12 THR OG1 : rot 180:sc=-0.00328 USER MOD Single : A 14 ASN : amide:sc= -1.62 K(o=-1.6,f=-3.6!) USER MOD Single : A 19 SER OG : rot 20:sc= 0.997 USER MOD Single : A 21 LYS NZ :NH3+ -167:sc= 0.49 (180deg=0.35) USER MOD Single : A 22 LYS NZ :NH3+ -147:sc= -1.69 (180deg=-3.83!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 CYS SG : rot -147:sc= 0.555 USER MOD Single : A 39 SER OG : rot 26:sc= 0.597 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 60:sc= 0.179 USER MOD Single : A 53 LYS NZ :NH3+ -140:sc= -0.467 (180deg=-1.72!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -151:sc= -0.768 (180deg=-2.43!) USER MOD ----------------------------------------------------------------- ATOM 66 N MET A 8 6.940 13.826 4.040 1.00 0.00 N ATOM 67 CA MET A 8 7.034 13.225 2.715 1.00 0.00 C ATOM 68 C MET A 8 5.848 12.302 2.452 1.00 0.00 C ATOM 69 O MET A 8 5.496 11.473 3.291 1.00 0.00 O ATOM 70 CB MET A 8 8.343 12.445 2.577 1.00 0.00 C ATOM 71 CG MET A 8 9.577 13.331 2.532 1.00 0.00 C ATOM 72 SD MET A 8 10.965 12.547 1.689 1.00 0.00 S ATOM 73 CE MET A 8 10.995 10.950 2.500 1.00 0.00 C ATOM 0 HA MET A 8 7.018 14.027 1.977 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.434 11.752 3.414 1.00 0.00 H new ATOM 0 HB3 MET A 8 8.304 11.844 1.669 1.00 0.00 H new ATOM 0 HG2 MET A 8 9.331 14.265 2.027 1.00 0.00 H new ATOM 0 HG3 MET A 8 9.873 13.587 3.549 1.00 0.00 H new ATOM 0 HE1 MET A 8 12.028 10.627 2.630 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.514 11.028 3.475 1.00 0.00 H new ATOM 0 HE3 MET A 8 10.462 10.222 1.889 1.00 0.00 H new ATOM 83 N VAL A 9 5.236 12.451 1.281 1.00 0.00 N ATOM 84 CA VAL A 9 4.090 11.631 0.908 1.00 0.00 C ATOM 85 C VAL A 9 4.244 10.205 1.424 1.00 0.00 C ATOM 86 O VAL A 9 5.293 9.583 1.258 1.00 0.00 O ATOM 87 CB VAL A 9 3.900 11.594 -0.620 1.00 0.00 C ATOM 88 CG1 VAL A 9 2.714 10.716 -0.990 1.00 0.00 C ATOM 89 CG2 VAL A 9 3.723 13.002 -1.168 1.00 0.00 C ATOM 0 H VAL A 9 5.515 13.132 0.575 1.00 0.00 H new ATOM 0 HA VAL A 9 3.212 12.087 1.365 1.00 0.00 H new ATOM 0 HB VAL A 9 4.794 11.163 -1.070 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.596 10.702 -2.073 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.886 9.701 -0.631 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.809 11.114 -0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.590 12.958 -2.249 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.846 13.462 -0.713 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.606 13.597 -0.935 1.00 0.00 H new ATOM 99 N PHE A 10 3.190 9.691 2.051 1.00 0.00 N ATOM 100 CA PHE A 10 3.208 8.337 2.592 1.00 0.00 C ATOM 101 C PHE A 10 2.219 7.442 1.851 1.00 0.00 C ATOM 102 O PHE A 10 1.289 7.926 1.206 1.00 0.00 O ATOM 103 CB PHE A 10 2.873 8.358 4.085 1.00 0.00 C ATOM 104 CG PHE A 10 4.081 8.486 4.968 1.00 0.00 C ATOM 105 CD1 PHE A 10 4.580 9.733 5.307 1.00 0.00 C ATOM 106 CD2 PHE A 10 4.719 7.358 5.460 1.00 0.00 C ATOM 107 CE1 PHE A 10 5.691 9.854 6.119 1.00 0.00 C ATOM 108 CE2 PHE A 10 5.830 7.473 6.274 1.00 0.00 C ATOM 109 CZ PHE A 10 6.318 8.722 6.603 1.00 0.00 C ATOM 0 H PHE A 10 2.313 10.192 2.197 1.00 0.00 H new ATOM 0 HA PHE A 10 4.211 7.931 2.456 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.196 9.189 4.286 1.00 0.00 H new ATOM 0 HB3 PHE A 10 2.340 7.443 4.343 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.094 10.622 4.932 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.344 6.378 5.204 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.069 10.833 6.375 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.316 6.586 6.653 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.188 8.814 7.237 1.00 0.00 H new ATOM 119 N PHE A 11 2.429 6.133 1.947 1.00 0.00 N ATOM 120 CA PHE A 11 1.558 5.169 1.284 1.00 0.00 C ATOM 121 C PHE A 11 1.293 3.967 2.185 1.00 0.00 C ATOM 122 O PHE A 11 2.119 3.612 3.027 1.00 0.00 O ATOM 123 CB PHE A 11 2.184 4.706 -0.033 1.00 0.00 C ATOM 124 CG PHE A 11 2.427 5.822 -1.007 1.00 0.00 C ATOM 125 CD1 PHE A 11 1.395 6.312 -1.792 1.00 0.00 C ATOM 126 CD2 PHE A 11 3.687 6.383 -1.138 1.00 0.00 C ATOM 127 CE1 PHE A 11 1.617 7.339 -2.690 1.00 0.00 C ATOM 128 CE2 PHE A 11 3.915 7.411 -2.034 1.00 0.00 C ATOM 129 CZ PHE A 11 2.877 7.890 -2.810 1.00 0.00 C ATOM 0 H PHE A 11 3.194 5.716 2.477 1.00 0.00 H new ATOM 0 HA PHE A 11 0.608 5.659 1.074 1.00 0.00 H new ATOM 0 HB2 PHE A 11 3.130 4.208 0.179 1.00 0.00 H new ATOM 0 HB3 PHE A 11 1.531 3.966 -0.496 1.00 0.00 H new ATOM 0 HD1 PHE A 11 0.406 5.887 -1.701 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.501 6.013 -0.533 1.00 0.00 H new ATOM 0 HE1 PHE A 11 0.805 7.710 -3.298 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.902 7.839 -2.127 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.051 8.694 -3.509 1.00 0.00 H new ATOM 139 N THR A 12 0.133 3.343 2.004 1.00 0.00 N ATOM 140 CA THR A 12 -0.244 2.182 2.800 1.00 0.00 C ATOM 141 C THR A 12 -0.313 0.925 1.941 1.00 0.00 C ATOM 142 O THR A 12 -1.296 0.696 1.235 1.00 0.00 O ATOM 143 CB THR A 12 -1.603 2.393 3.493 1.00 0.00 C ATOM 144 OG1 THR A 12 -1.545 3.539 4.349 1.00 0.00 O ATOM 145 CG2 THR A 12 -1.993 1.167 4.305 1.00 0.00 C ATOM 0 H THR A 12 -0.562 3.623 1.312 1.00 0.00 H new ATOM 0 HA THR A 12 0.527 2.056 3.560 1.00 0.00 H new ATOM 0 HB THR A 12 -2.357 2.554 2.722 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.414 3.667 4.784 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.956 1.340 4.785 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.066 0.302 3.646 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.236 0.979 5.067 1.00 0.00 H new ATOM 153 N CYS A 13 0.735 0.111 2.005 1.00 0.00 N ATOM 154 CA CYS A 13 0.794 -1.124 1.233 1.00 0.00 C ATOM 155 C CYS A 13 -0.441 -1.984 1.488 1.00 0.00 C ATOM 156 O CYS A 13 -0.659 -2.459 2.602 1.00 0.00 O ATOM 157 CB CYS A 13 2.058 -1.910 1.584 1.00 0.00 C ATOM 158 SG CYS A 13 2.388 -3.321 0.480 1.00 0.00 S ATOM 0 H CYS A 13 1.556 0.285 2.585 1.00 0.00 H new ATOM 0 HA CYS A 13 0.820 -0.861 0.175 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.912 -1.234 1.557 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.973 -2.275 2.607 1.00 0.00 H new ATOM 0 HG CYS A 13 2.880 -2.888 -0.643 1.00 0.00 H new ATOM 163 N ASN A 14 -1.245 -2.179 0.448 1.00 0.00 N ATOM 164 CA ASN A 14 -2.457 -2.982 0.560 1.00 0.00 C ATOM 165 C ASN A 14 -2.159 -4.456 0.305 1.00 0.00 C ATOM 166 O ASN A 14 -3.059 -5.237 -0.002 1.00 0.00 O ATOM 167 CB ASN A 14 -3.515 -2.485 -0.429 1.00 0.00 C ATOM 168 CG ASN A 14 -4.849 -3.181 -0.245 1.00 0.00 C ATOM 169 OD1 ASN A 14 -5.030 -3.966 0.686 1.00 0.00 O ATOM 170 ND2 ASN A 14 -5.792 -2.897 -1.136 1.00 0.00 N ATOM 0 H ASN A 14 -1.079 -1.792 -0.481 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.840 -2.878 1.575 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.649 -1.410 -0.305 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.161 -2.647 -1.447 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.710 -3.336 -1.064 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.598 -2.240 -1.892 1.00 0.00 H new ATOM 177 N ALA A 15 -0.890 -4.829 0.436 1.00 0.00 N ATOM 178 CA ALA A 15 -0.474 -6.209 0.223 1.00 0.00 C ATOM 179 C ALA A 15 -0.173 -6.902 1.547 1.00 0.00 C ATOM 180 O ALA A 15 -0.491 -8.077 1.731 1.00 0.00 O ATOM 181 CB ALA A 15 0.743 -6.259 -0.690 1.00 0.00 C ATOM 0 H ALA A 15 -0.133 -4.194 0.689 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.296 -6.740 -0.257 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.043 -7.296 -0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.495 -5.810 -1.652 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.564 -5.707 -0.233 1.00 0.00 H new ATOM 187 N CYS A 16 0.444 -6.168 2.467 1.00 0.00 N ATOM 188 CA CYS A 16 0.790 -6.712 3.775 1.00 0.00 C ATOM 189 C CYS A 16 0.269 -5.813 4.893 1.00 0.00 C ATOM 190 O CYS A 16 -0.292 -6.291 5.877 1.00 0.00 O ATOM 191 CB CYS A 16 2.306 -6.872 3.899 1.00 0.00 C ATOM 192 SG CYS A 16 3.235 -5.315 3.726 1.00 0.00 S ATOM 0 H CYS A 16 0.715 -5.194 2.331 1.00 0.00 H new ATOM 0 HA CYS A 16 0.319 -7.690 3.870 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.536 -7.314 4.869 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.650 -7.574 3.139 1.00 0.00 H new ATOM 0 HG CYS A 16 2.905 -4.735 2.611 1.00 0.00 H new ATOM 197 N GLY A 17 0.460 -4.507 4.732 1.00 0.00 N ATOM 198 CA GLY A 17 0.004 -3.562 5.734 1.00 0.00 C ATOM 199 C GLY A 17 1.152 -2.875 6.448 1.00 0.00 C ATOM 200 O GLY A 17 1.333 -3.047 7.652 1.00 0.00 O ATOM 0 H GLY A 17 0.922 -4.087 3.926 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.627 -2.810 5.260 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.615 -4.082 6.465 1.00 0.00 H new ATOM 204 N GLU A 18 1.928 -2.095 5.702 1.00 0.00 N ATOM 205 CA GLU A 18 3.066 -1.382 6.271 1.00 0.00 C ATOM 206 C GLU A 18 3.242 -0.020 5.607 1.00 0.00 C ATOM 207 O GLU A 18 3.078 0.117 4.394 1.00 0.00 O ATOM 208 CB GLU A 18 4.344 -2.208 6.113 1.00 0.00 C ATOM 209 CG GLU A 18 4.482 -3.319 7.141 1.00 0.00 C ATOM 210 CD GLU A 18 5.702 -4.187 6.902 1.00 0.00 C ATOM 211 OE1 GLU A 18 6.170 -4.249 5.746 1.00 0.00 O ATOM 212 OE2 GLU A 18 6.190 -4.804 7.872 1.00 0.00 O ATOM 0 H GLU A 18 1.790 -1.941 4.703 1.00 0.00 H new ATOM 0 HA GLU A 18 2.871 -1.227 7.332 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.363 -2.644 5.114 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.206 -1.546 6.188 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.542 -2.881 8.138 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.588 -3.942 7.119 1.00 0.00 H new ATOM 219 N SER A 19 3.577 0.985 6.410 1.00 0.00 N ATOM 220 CA SER A 19 3.771 2.338 5.901 1.00 0.00 C ATOM 221 C SER A 19 5.101 2.454 5.163 1.00 0.00 C ATOM 222 O SER A 19 6.170 2.356 5.766 1.00 0.00 O ATOM 223 CB SER A 19 3.722 3.348 7.049 1.00 0.00 C ATOM 224 OG SER A 19 4.854 3.219 7.891 1.00 0.00 O ATOM 0 H SER A 19 3.720 0.888 7.415 1.00 0.00 H new ATOM 0 HA SER A 19 2.966 2.556 5.200 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.678 4.360 6.646 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.813 3.198 7.631 1.00 0.00 H new ATOM 0 HG SER A 19 5.567 2.750 7.410 1.00 0.00 H new ATOM 230 N VAL A 20 5.027 2.665 3.852 1.00 0.00 N ATOM 231 CA VAL A 20 6.223 2.797 3.030 1.00 0.00 C ATOM 232 C VAL A 20 6.489 4.256 2.676 1.00 0.00 C ATOM 233 O VAL A 20 5.559 5.041 2.490 1.00 0.00 O ATOM 234 CB VAL A 20 6.104 1.978 1.731 1.00 0.00 C ATOM 235 CG1 VAL A 20 7.421 1.991 0.969 1.00 0.00 C ATOM 236 CG2 VAL A 20 5.670 0.553 2.037 1.00 0.00 C ATOM 0 H VAL A 20 4.150 2.748 3.337 1.00 0.00 H new ATOM 0 HA VAL A 20 7.056 2.412 3.619 1.00 0.00 H new ATOM 0 HB VAL A 20 5.342 2.438 1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.318 1.407 0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.685 3.018 0.716 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.205 1.557 1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.591 -0.011 1.108 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.406 0.080 2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.701 0.567 2.536 1.00 0.00 H new ATOM 246 N LYS A 21 7.766 4.614 2.585 1.00 0.00 N ATOM 247 CA LYS A 21 8.156 5.978 2.251 1.00 0.00 C ATOM 248 C LYS A 21 8.287 6.153 0.742 1.00 0.00 C ATOM 249 O LYS A 21 8.870 5.313 0.057 1.00 0.00 O ATOM 250 CB LYS A 21 9.480 6.333 2.933 1.00 0.00 C ATOM 251 CG LYS A 21 9.452 6.160 4.442 1.00 0.00 C ATOM 252 CD LYS A 21 9.038 7.443 5.142 1.00 0.00 C ATOM 253 CE LYS A 21 9.677 7.558 6.518 1.00 0.00 C ATOM 254 NZ LYS A 21 8.913 6.805 7.550 1.00 0.00 N ATOM 0 H LYS A 21 8.548 3.978 2.738 1.00 0.00 H new ATOM 0 HA LYS A 21 7.377 6.650 2.610 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.271 5.708 2.519 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.734 7.367 2.699 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.759 5.361 4.705 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.438 5.855 4.793 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.326 8.300 4.533 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.953 7.472 5.240 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.699 7.181 6.476 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.736 8.608 6.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.243 7.081 8.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.900 7.022 7.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.061 5.784 7.416 1.00 0.00 H new ATOM 268 N LYS A 22 7.742 7.251 0.228 1.00 0.00 N ATOM 269 CA LYS A 22 7.799 7.539 -1.200 1.00 0.00 C ATOM 270 C LYS A 22 9.216 7.359 -1.734 1.00 0.00 C ATOM 271 O LYS A 22 9.410 6.999 -2.896 1.00 0.00 O ATOM 272 CB LYS A 22 7.317 8.965 -1.473 1.00 0.00 C ATOM 273 CG LYS A 22 7.444 9.381 -2.929 1.00 0.00 C ATOM 274 CD LYS A 22 6.489 10.513 -3.270 1.00 0.00 C ATOM 275 CE LYS A 22 7.070 11.866 -2.889 1.00 0.00 C ATOM 276 NZ LYS A 22 7.329 11.966 -1.426 1.00 0.00 N ATOM 0 H LYS A 22 7.255 7.957 0.781 1.00 0.00 H new ATOM 0 HA LYS A 22 7.143 6.836 -1.714 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.274 9.052 -1.169 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.888 9.657 -0.855 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.468 9.694 -3.131 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.240 8.525 -3.572 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.271 10.497 -4.338 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.543 10.362 -2.749 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.000 12.029 -3.434 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.381 12.655 -3.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.177 12.946 -1.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.680 11.335 -0.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.311 11.687 -1.227 1.00 0.00 H new ATOM 290 N ILE A 23 10.202 7.610 -0.880 1.00 0.00 N ATOM 291 CA ILE A 23 11.601 7.473 -1.267 1.00 0.00 C ATOM 292 C ILE A 23 12.070 6.028 -1.132 1.00 0.00 C ATOM 293 O ILE A 23 12.936 5.575 -1.879 1.00 0.00 O ATOM 294 CB ILE A 23 12.512 8.378 -0.415 1.00 0.00 C ATOM 295 CG1 ILE A 23 12.511 7.913 1.042 1.00 0.00 C ATOM 296 CG2 ILE A 23 12.061 9.827 -0.515 1.00 0.00 C ATOM 297 CD1 ILE A 23 13.589 8.558 1.883 1.00 0.00 C ATOM 0 H ILE A 23 10.058 7.909 0.084 1.00 0.00 H new ATOM 0 HA ILE A 23 11.671 7.779 -2.311 1.00 0.00 H new ATOM 0 HB ILE A 23 13.530 8.308 -0.798 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.538 8.130 1.484 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.639 6.831 1.070 1.00 0.00 H new ATOM 0 HG21 ILE A 23 12.714 10.454 0.092 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.109 10.152 -1.554 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.036 9.915 -0.155 1.00 0.00 H new ATOM 0 HD11 ILE A 23 13.528 8.181 2.904 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.567 8.319 1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 23 13.450 9.639 1.886 1.00 0.00 H new ATOM 309 N GLN A 24 11.490 5.311 -0.176 1.00 0.00 N ATOM 310 CA GLN A 24 11.847 3.916 0.056 1.00 0.00 C ATOM 311 C GLN A 24 10.770 2.981 -0.484 1.00 0.00 C ATOM 312 O GLN A 24 10.406 1.998 0.161 1.00 0.00 O ATOM 313 CB GLN A 24 12.058 3.663 1.549 1.00 0.00 C ATOM 314 CG GLN A 24 13.113 4.559 2.176 1.00 0.00 C ATOM 315 CD GLN A 24 13.833 3.892 3.332 1.00 0.00 C ATOM 316 OE1 GLN A 24 14.949 3.395 3.180 1.00 0.00 O ATOM 317 NE2 GLN A 24 13.196 3.879 4.497 1.00 0.00 N ATOM 0 H GLN A 24 10.771 5.672 0.451 1.00 0.00 H new ATOM 0 HA GLN A 24 12.777 3.712 -0.474 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.112 3.810 2.071 1.00 0.00 H new ATOM 0 HB3 GLN A 24 12.345 2.622 1.695 1.00 0.00 H new ATOM 0 HG2 GLN A 24 13.840 4.844 1.416 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.642 5.477 2.527 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.272 4.303 4.578 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.631 3.445 5.311 1.00 0.00 H new ATOM 326 N VAL A 25 10.264 3.294 -1.673 1.00 0.00 N ATOM 327 CA VAL A 25 9.229 2.481 -2.301 1.00 0.00 C ATOM 328 C VAL A 25 9.826 1.243 -2.959 1.00 0.00 C ATOM 329 O VAL A 25 9.500 0.115 -2.592 1.00 0.00 O ATOM 330 CB VAL A 25 8.448 3.285 -3.357 1.00 0.00 C ATOM 331 CG1 VAL A 25 7.712 2.349 -4.304 1.00 0.00 C ATOM 332 CG2 VAL A 25 7.480 4.247 -2.686 1.00 0.00 C ATOM 0 H VAL A 25 10.554 4.104 -2.220 1.00 0.00 H new ATOM 0 HA VAL A 25 8.545 2.173 -1.510 1.00 0.00 H new ATOM 0 HB VAL A 25 9.158 3.870 -3.941 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.166 2.935 -5.043 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.431 1.705 -4.811 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.011 1.736 -3.738 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.937 4.807 -3.447 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.773 3.685 -2.075 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.035 4.940 -2.054 1.00 0.00 H new ATOM 342 N GLU A 26 10.703 1.462 -3.934 1.00 0.00 N ATOM 343 CA GLU A 26 11.346 0.363 -4.644 1.00 0.00 C ATOM 344 C GLU A 26 11.850 -0.695 -3.667 1.00 0.00 C ATOM 345 O GLU A 26 11.625 -1.891 -3.858 1.00 0.00 O ATOM 346 CB GLU A 26 12.508 0.885 -5.492 1.00 0.00 C ATOM 347 CG GLU A 26 12.941 -0.075 -6.588 1.00 0.00 C ATOM 348 CD GLU A 26 12.104 0.060 -7.845 1.00 0.00 C ATOM 349 OE1 GLU A 26 10.968 -0.457 -7.860 1.00 0.00 O ATOM 350 OE2 GLU A 26 12.587 0.684 -8.814 1.00 0.00 O ATOM 0 H GLU A 26 10.984 2.390 -4.250 1.00 0.00 H new ATOM 0 HA GLU A 26 10.605 -0.096 -5.299 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.219 1.833 -5.945 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.359 1.088 -4.842 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.988 0.106 -6.832 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.872 -1.098 -6.218 1.00 0.00 H new ATOM 357 N LYS A 27 12.533 -0.247 -2.619 1.00 0.00 N ATOM 358 CA LYS A 27 13.069 -1.154 -1.610 1.00 0.00 C ATOM 359 C LYS A 27 11.989 -2.104 -1.104 1.00 0.00 C ATOM 360 O LYS A 27 12.128 -3.324 -1.197 1.00 0.00 O ATOM 361 CB LYS A 27 13.654 -0.359 -0.441 1.00 0.00 C ATOM 362 CG LYS A 27 14.154 -1.231 0.698 1.00 0.00 C ATOM 363 CD LYS A 27 13.063 -1.490 1.723 1.00 0.00 C ATOM 364 CE LYS A 27 13.544 -2.418 2.827 1.00 0.00 C ATOM 365 NZ LYS A 27 14.482 -1.733 3.759 1.00 0.00 N ATOM 0 H LYS A 27 12.729 0.739 -2.446 1.00 0.00 H new ATOM 0 HA LYS A 27 13.860 -1.745 -2.071 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.477 0.255 -0.806 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.894 0.322 -0.059 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.513 -2.180 0.300 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.002 -0.747 1.182 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.738 -0.544 2.157 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.196 -1.929 1.230 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.686 -2.793 3.386 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.039 -3.283 2.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.787 -2.400 4.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.313 -1.397 3.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.002 -0.923 4.201 1.00 0.00 H new ATOM 379 N HIS A 28 10.912 -1.537 -0.569 1.00 0.00 N ATOM 380 CA HIS A 28 9.807 -2.335 -0.049 1.00 0.00 C ATOM 381 C HIS A 28 9.212 -3.216 -1.143 1.00 0.00 C ATOM 382 O HIS A 28 8.982 -4.408 -0.938 1.00 0.00 O ATOM 383 CB HIS A 28 8.725 -1.426 0.535 1.00 0.00 C ATOM 384 CG HIS A 28 7.540 -2.172 1.067 1.00 0.00 C ATOM 385 ND1 HIS A 28 7.445 -2.599 2.375 1.00 0.00 N ATOM 386 CD2 HIS A 28 6.396 -2.564 0.461 1.00 0.00 C ATOM 387 CE1 HIS A 28 6.294 -3.223 2.549 1.00 0.00 C ATOM 388 NE2 HIS A 28 5.638 -3.215 1.403 1.00 0.00 N ATOM 0 H HIS A 28 10.781 -0.529 -0.484 1.00 0.00 H new ATOM 0 HA HIS A 28 10.195 -2.979 0.740 1.00 0.00 H new ATOM 0 HB2 HIS A 28 9.158 -0.828 1.337 1.00 0.00 H new ATOM 0 HB3 HIS A 28 8.391 -0.731 -0.235 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.128 -2.396 -0.572 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.948 -3.665 3.472 1.00 0.00 H new ATOM 0 HE2 HIS A 28 4.718 -3.626 1.243 1.00 0.00 H new ATOM 396 N VAL A 29 8.964 -2.621 -2.306 1.00 0.00 N ATOM 397 CA VAL A 29 8.395 -3.352 -3.432 1.00 0.00 C ATOM 398 C VAL A 29 9.204 -4.608 -3.737 1.00 0.00 C ATOM 399 O VAL A 29 8.644 -5.657 -4.056 1.00 0.00 O ATOM 400 CB VAL A 29 8.335 -2.475 -4.697 1.00 0.00 C ATOM 401 CG1 VAL A 29 7.844 -3.286 -5.887 1.00 0.00 C ATOM 402 CG2 VAL A 29 7.444 -1.264 -4.463 1.00 0.00 C ATOM 0 H VAL A 29 9.148 -1.635 -2.493 1.00 0.00 H new ATOM 0 HA VAL A 29 7.382 -3.636 -3.146 1.00 0.00 H new ATOM 0 HB VAL A 29 9.341 -2.120 -4.920 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.808 -2.650 -6.771 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.525 -4.118 -6.066 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.846 -3.672 -5.677 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.413 -0.655 -5.367 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.436 -1.596 -4.214 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.844 -0.672 -3.640 1.00 0.00 H new ATOM 412 N SER A 30 10.524 -4.495 -3.635 1.00 0.00 N ATOM 413 CA SER A 30 11.411 -5.621 -3.902 1.00 0.00 C ATOM 414 C SER A 30 11.067 -6.808 -3.007 1.00 0.00 C ATOM 415 O SER A 30 10.863 -7.922 -3.487 1.00 0.00 O ATOM 416 CB SER A 30 12.869 -5.211 -3.687 1.00 0.00 C ATOM 417 OG SER A 30 13.403 -4.596 -4.846 1.00 0.00 O ATOM 0 H SER A 30 11.003 -3.635 -3.369 1.00 0.00 H new ATOM 0 HA SER A 30 11.275 -5.921 -4.941 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.936 -4.524 -2.844 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.463 -6.089 -3.431 1.00 0.00 H new ATOM 0 HG SER A 30 14.335 -4.342 -4.682 1.00 0.00 H new ATOM 423 N ASN A 31 11.005 -6.559 -1.703 1.00 0.00 N ATOM 424 CA ASN A 31 10.686 -7.607 -0.740 1.00 0.00 C ATOM 425 C ASN A 31 9.233 -8.050 -0.879 1.00 0.00 C ATOM 426 O ASN A 31 8.944 -9.241 -1.000 1.00 0.00 O ATOM 427 CB ASN A 31 10.946 -7.115 0.685 1.00 0.00 C ATOM 428 CG ASN A 31 11.342 -8.240 1.622 1.00 0.00 C ATOM 429 OD1 ASN A 31 12.523 -8.555 1.768 1.00 0.00 O ATOM 430 ND2 ASN A 31 10.352 -8.851 2.263 1.00 0.00 N ATOM 0 H ASN A 31 11.171 -5.642 -1.289 1.00 0.00 H new ATOM 0 HA ASN A 31 11.329 -8.462 -0.946 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.736 -6.364 0.669 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.050 -6.626 1.067 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.556 -9.615 2.907 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.387 -8.556 2.111 1.00 0.00 H new ATOM 437 N CYS A 32 8.321 -7.083 -0.862 1.00 0.00 N ATOM 438 CA CYS A 32 6.897 -7.372 -0.987 1.00 0.00 C ATOM 439 C CYS A 32 6.515 -7.606 -2.445 1.00 0.00 C ATOM 440 O CYS A 32 6.502 -6.675 -3.251 1.00 0.00 O ATOM 441 CB CYS A 32 6.070 -6.222 -0.409 1.00 0.00 C ATOM 442 SG CYS A 32 4.461 -6.733 0.274 1.00 0.00 S ATOM 0 H CYS A 32 8.543 -6.092 -0.763 1.00 0.00 H new ATOM 0 HA CYS A 32 6.685 -8.281 -0.425 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.647 -5.733 0.376 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.902 -5.481 -1.190 1.00 0.00 H new ATOM 0 HG CYS A 32 4.268 -6.143 1.416 1.00 0.00 H new ATOM 447 N ARG A 33 6.205 -8.855 -2.777 1.00 0.00 N ATOM 448 CA ARG A 33 5.823 -9.211 -4.138 1.00 0.00 C ATOM 449 C ARG A 33 4.370 -8.834 -4.412 1.00 0.00 C ATOM 450 O ARG A 33 4.026 -8.410 -5.515 1.00 0.00 O ATOM 451 CB ARG A 33 6.024 -10.710 -4.371 1.00 0.00 C ATOM 452 CG ARG A 33 7.475 -11.152 -4.272 1.00 0.00 C ATOM 453 CD ARG A 33 7.820 -11.621 -2.867 1.00 0.00 C ATOM 454 NE ARG A 33 9.042 -12.420 -2.841 1.00 0.00 N ATOM 455 CZ ARG A 33 9.665 -12.773 -1.722 1.00 0.00 C ATOM 456 NH1 ARG A 33 9.183 -12.400 -0.545 1.00 0.00 N ATOM 457 NH2 ARG A 33 10.773 -13.501 -1.780 1.00 0.00 N ATOM 0 H ARG A 33 6.211 -9.637 -2.122 1.00 0.00 H new ATOM 0 HA ARG A 33 6.461 -8.654 -4.825 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.433 -11.265 -3.642 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.640 -10.971 -5.357 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.660 -11.958 -4.982 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.128 -10.325 -4.551 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.939 -10.756 -2.215 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.994 -12.209 -2.468 1.00 0.00 H new ATOM 0 HE ARG A 33 9.439 -12.724 -3.730 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.332 -11.840 -0.497 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.663 -12.673 0.312 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.147 -13.790 -2.684 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.251 -13.772 -0.921 1.00 0.00 H new ATOM 471 N ASN A 34 3.523 -8.991 -3.400 1.00 0.00 N ATOM 472 CA ASN A 34 2.107 -8.667 -3.533 1.00 0.00 C ATOM 473 C ASN A 34 1.900 -7.159 -3.637 1.00 0.00 C ATOM 474 O ASN A 34 0.862 -6.696 -4.111 1.00 0.00 O ATOM 475 CB ASN A 34 1.323 -9.219 -2.340 1.00 0.00 C ATOM 476 CG ASN A 34 1.046 -10.705 -2.468 1.00 0.00 C ATOM 477 OD1 ASN A 34 -0.071 -11.115 -2.782 1.00 0.00 O ATOM 478 ND2 ASN A 34 2.066 -11.519 -2.224 1.00 0.00 N ATOM 0 H ASN A 34 3.792 -9.340 -2.480 1.00 0.00 H new ATOM 0 HA ASN A 34 1.739 -9.130 -4.449 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.883 -9.034 -1.424 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.378 -8.683 -2.250 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.941 -12.529 -2.294 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.975 -11.135 -1.967 1.00 0.00 H new ATOM 485 N CYS A 35 2.895 -6.400 -3.192 1.00 0.00 N ATOM 486 CA CYS A 35 2.823 -4.943 -3.234 1.00 0.00 C ATOM 487 C CYS A 35 2.776 -4.443 -4.675 1.00 0.00 C ATOM 488 O CYS A 35 3.796 -4.407 -5.362 1.00 0.00 O ATOM 489 CB CYS A 35 4.022 -4.331 -2.508 1.00 0.00 C ATOM 490 SG CYS A 35 3.968 -2.528 -2.385 1.00 0.00 S ATOM 0 H CYS A 35 3.761 -6.768 -2.798 1.00 0.00 H new ATOM 0 HA CYS A 35 1.907 -4.634 -2.731 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.079 -4.752 -1.504 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.935 -4.622 -3.027 1.00 0.00 H new ATOM 0 HG CYS A 35 3.857 -2.015 -3.574 1.00 0.00 H new ATOM 496 N GLU A 36 1.585 -4.061 -5.124 1.00 0.00 N ATOM 497 CA GLU A 36 1.405 -3.566 -6.484 1.00 0.00 C ATOM 498 C GLU A 36 0.786 -2.171 -6.478 1.00 0.00 C ATOM 499 O GLU A 36 1.181 -1.302 -7.255 1.00 0.00 O ATOM 500 CB GLU A 36 0.523 -4.524 -7.287 1.00 0.00 C ATOM 501 CG GLU A 36 1.272 -5.728 -7.833 1.00 0.00 C ATOM 502 CD GLU A 36 0.360 -6.710 -8.544 1.00 0.00 C ATOM 503 OE1 GLU A 36 -0.349 -6.287 -9.481 1.00 0.00 O ATOM 504 OE2 GLU A 36 0.355 -7.899 -8.163 1.00 0.00 O ATOM 0 H GLU A 36 0.731 -4.085 -4.567 1.00 0.00 H new ATOM 0 HA GLU A 36 2.386 -3.507 -6.954 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.293 -4.871 -6.653 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.072 -3.980 -8.117 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.043 -5.388 -8.524 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.780 -6.237 -7.014 1.00 0.00 H new ATOM 511 N CYS A 37 -0.187 -1.967 -5.597 1.00 0.00 N ATOM 512 CA CYS A 37 -0.863 -0.679 -5.490 1.00 0.00 C ATOM 513 C CYS A 37 -0.484 0.028 -4.192 1.00 0.00 C ATOM 514 O CYS A 37 -0.229 -0.616 -3.174 1.00 0.00 O ATOM 515 CB CYS A 37 -2.379 -0.868 -5.557 1.00 0.00 C ATOM 516 SG CYS A 37 -3.070 -1.797 -4.169 1.00 0.00 S ATOM 0 H CYS A 37 -0.525 -2.676 -4.947 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.544 -0.059 -6.327 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.855 0.112 -5.597 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.629 -1.382 -6.485 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.096 -2.485 -4.575 1.00 0.00 H new ATOM 522 N LEU A 38 -0.446 1.355 -4.237 1.00 0.00 N ATOM 523 CA LEU A 38 -0.096 2.151 -3.065 1.00 0.00 C ATOM 524 C LEU A 38 -1.117 3.260 -2.835 1.00 0.00 C ATOM 525 O LEU A 38 -1.320 4.118 -3.694 1.00 0.00 O ATOM 526 CB LEU A 38 1.300 2.753 -3.232 1.00 0.00 C ATOM 527 CG LEU A 38 2.467 1.884 -2.762 1.00 0.00 C ATOM 528 CD1 LEU A 38 3.793 2.499 -3.181 1.00 0.00 C ATOM 529 CD2 LEU A 38 2.417 1.695 -1.253 1.00 0.00 C ATOM 0 H LEU A 38 -0.653 1.903 -5.072 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.100 1.494 -2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.449 2.987 -4.286 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.334 3.697 -2.688 1.00 0.00 H new ATOM 0 HG LEU A 38 2.379 0.905 -3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.612 1.867 -2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.829 2.581 -4.267 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.890 3.490 -2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.255 1.074 -0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.479 2.666 -0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.481 1.209 -0.978 1.00 0.00 H new ATOM 541 N SER A 39 -1.756 3.237 -1.670 1.00 0.00 N ATOM 542 CA SER A 39 -2.758 4.240 -1.327 1.00 0.00 C ATOM 543 C SER A 39 -2.159 5.323 -0.435 1.00 0.00 C ATOM 544 O SER A 39 -1.758 5.058 0.699 1.00 0.00 O ATOM 545 CB SER A 39 -3.948 3.584 -0.624 1.00 0.00 C ATOM 546 OG SER A 39 -3.567 3.052 0.633 1.00 0.00 O ATOM 0 H SER A 39 -1.598 2.535 -0.947 1.00 0.00 H new ATOM 0 HA SER A 39 -3.103 4.704 -2.251 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.743 4.317 -0.486 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.352 2.790 -1.251 1.00 0.00 H new ATOM 0 HG SER A 39 -2.787 3.539 0.972 1.00 0.00 H new ATOM 552 N CYS A 40 -2.102 6.544 -0.955 1.00 0.00 N ATOM 553 CA CYS A 40 -1.552 7.669 -0.207 1.00 0.00 C ATOM 554 C CYS A 40 -2.420 7.993 1.005 1.00 0.00 C ATOM 555 O CYS A 40 -3.644 7.864 0.957 1.00 0.00 O ATOM 556 CB CYS A 40 -1.436 8.900 -1.109 1.00 0.00 C ATOM 557 SG CYS A 40 -0.665 10.341 -0.305 1.00 0.00 S ATOM 0 H CYS A 40 -2.430 6.780 -1.892 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.559 7.389 0.144 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.855 8.636 -1.993 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.431 9.179 -1.454 1.00 0.00 H new ATOM 0 HG CYS A 40 0.333 9.946 0.428 1.00 0.00 H new ATOM 562 N ILE A 41 -1.779 8.415 2.089 1.00 0.00 N ATOM 563 CA ILE A 41 -2.492 8.759 3.313 1.00 0.00 C ATOM 564 C ILE A 41 -2.546 10.270 3.512 1.00 0.00 C ATOM 565 O ILE A 41 -3.511 10.800 4.062 1.00 0.00 O ATOM 566 CB ILE A 41 -1.836 8.113 4.548 1.00 0.00 C ATOM 567 CG1 ILE A 41 -0.380 8.566 4.673 1.00 0.00 C ATOM 568 CG2 ILE A 41 -1.920 6.597 4.459 1.00 0.00 C ATOM 569 CD1 ILE A 41 0.268 8.163 5.980 1.00 0.00 C ATOM 0 H ILE A 41 -0.767 8.527 2.145 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.506 8.372 3.206 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.375 8.435 5.439 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.195 8.147 3.847 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.336 9.651 4.574 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.452 6.154 5.339 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.966 6.293 4.412 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.402 6.256 3.562 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.299 8.517 5.999 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.283 8.604 6.811 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.256 7.077 6.073 1.00 0.00 H new ATOM 581 N ASP A 42 -1.504 10.958 3.058 1.00 0.00 N ATOM 582 CA ASP A 42 -1.434 12.409 3.183 1.00 0.00 C ATOM 583 C ASP A 42 -2.713 13.062 2.668 1.00 0.00 C ATOM 584 O ASP A 42 -3.170 14.070 3.209 1.00 0.00 O ATOM 585 CB ASP A 42 -0.226 12.951 2.417 1.00 0.00 C ATOM 586 CG ASP A 42 0.111 14.378 2.800 1.00 0.00 C ATOM 587 OD1 ASP A 42 0.576 14.593 3.939 1.00 0.00 O ATOM 588 OD2 ASP A 42 -0.090 15.280 1.961 1.00 0.00 O ATOM 0 H ASP A 42 -0.697 10.534 2.600 1.00 0.00 H new ATOM 0 HA ASP A 42 -1.323 12.652 4.240 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.637 12.313 2.608 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.427 12.903 1.347 1.00 0.00 H new ATOM 593 N CYS A 43 -3.286 12.482 1.619 1.00 0.00 N ATOM 594 CA CYS A 43 -4.511 13.007 1.028 1.00 0.00 C ATOM 595 C CYS A 43 -5.587 11.928 0.959 1.00 0.00 C ATOM 596 O CYS A 43 -6.735 12.154 1.340 1.00 0.00 O ATOM 597 CB CYS A 43 -4.232 13.556 -0.372 1.00 0.00 C ATOM 598 SG CYS A 43 -3.563 12.324 -1.535 1.00 0.00 S ATOM 0 H CYS A 43 -2.921 11.647 1.160 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.873 13.816 1.662 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -5.157 13.962 -0.782 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.528 14.384 -0.292 1.00 0.00 H new ATOM 0 HG CYS A 43 -2.560 11.707 -0.984 1.00 0.00 H new ATOM 603 N GLY A 44 -5.207 10.751 0.469 1.00 0.00 N ATOM 604 CA GLY A 44 -6.150 9.654 0.358 1.00 0.00 C ATOM 605 C GLY A 44 -6.482 9.318 -1.082 1.00 0.00 C ATOM 606 O GLY A 44 -7.653 9.215 -1.450 1.00 0.00 O ATOM 0 H GLY A 44 -4.263 10.538 0.147 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.736 8.772 0.847 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.067 9.912 0.888 1.00 0.00 H new ATOM 610 N LYS A 45 -5.450 9.149 -1.902 1.00 0.00 N ATOM 611 CA LYS A 45 -5.637 8.823 -3.311 1.00 0.00 C ATOM 612 C LYS A 45 -5.014 7.471 -3.644 1.00 0.00 C ATOM 613 O LYS A 45 -3.843 7.228 -3.353 1.00 0.00 O ATOM 614 CB LYS A 45 -5.020 9.911 -4.193 1.00 0.00 C ATOM 615 CG LYS A 45 -5.986 11.030 -4.544 1.00 0.00 C ATOM 616 CD LYS A 45 -5.275 12.189 -5.221 1.00 0.00 C ATOM 617 CE LYS A 45 -6.264 13.198 -5.783 1.00 0.00 C ATOM 618 NZ LYS A 45 -6.713 12.830 -7.154 1.00 0.00 N ATOM 0 H LYS A 45 -4.475 9.232 -1.615 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.708 8.768 -3.507 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.156 10.335 -3.681 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.654 9.456 -5.113 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.765 10.646 -5.202 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.479 11.384 -3.638 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.618 12.682 -4.505 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.644 11.810 -6.025 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.129 13.265 -5.123 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.803 14.185 -5.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.386 13.542 -7.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.891 12.791 -7.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.176 11.899 -7.129 1.00 0.00 H new ATOM 632 N ASP A 46 -5.805 6.596 -4.255 1.00 0.00 N ATOM 633 CA ASP A 46 -5.330 5.269 -4.630 1.00 0.00 C ATOM 634 C ASP A 46 -4.585 5.314 -5.960 1.00 0.00 C ATOM 635 O ASP A 46 -5.066 5.892 -6.934 1.00 0.00 O ATOM 636 CB ASP A 46 -6.503 4.291 -4.722 1.00 0.00 C ATOM 637 CG ASP A 46 -7.395 4.341 -3.497 1.00 0.00 C ATOM 638 OD1 ASP A 46 -6.916 4.782 -2.431 1.00 0.00 O ATOM 639 OD2 ASP A 46 -8.573 3.940 -3.605 1.00 0.00 O ATOM 0 H ASP A 46 -6.777 6.781 -4.501 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.640 4.926 -3.859 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.095 4.520 -5.608 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.119 3.279 -4.848 1.00 0.00 H new ATOM 644 N PHE A 47 -3.406 4.701 -5.993 1.00 0.00 N ATOM 645 CA PHE A 47 -2.592 4.673 -7.203 1.00 0.00 C ATOM 646 C PHE A 47 -2.156 3.248 -7.532 1.00 0.00 C ATOM 647 O PHE A 47 -1.085 2.804 -7.118 1.00 0.00 O ATOM 648 CB PHE A 47 -1.363 5.569 -7.037 1.00 0.00 C ATOM 649 CG PHE A 47 -1.696 6.971 -6.614 1.00 0.00 C ATOM 650 CD1 PHE A 47 -1.779 7.302 -5.270 1.00 0.00 C ATOM 651 CD2 PHE A 47 -1.926 7.958 -7.558 1.00 0.00 C ATOM 652 CE1 PHE A 47 -2.086 8.591 -4.878 1.00 0.00 C ATOM 653 CE2 PHE A 47 -2.233 9.249 -7.171 1.00 0.00 C ATOM 654 CZ PHE A 47 -2.312 9.566 -5.829 1.00 0.00 C ATOM 0 H PHE A 47 -2.993 4.217 -5.196 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.198 5.048 -8.028 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -0.696 5.124 -6.299 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.818 5.602 -7.980 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.602 6.544 -4.521 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.865 7.716 -8.609 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.149 8.836 -3.828 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.411 10.009 -7.917 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.550 10.574 -5.524 1.00 0.00 H new ATOM 664 N TRP A 48 -2.994 2.537 -8.279 1.00 0.00 N ATOM 665 CA TRP A 48 -2.696 1.163 -8.663 1.00 0.00 C ATOM 666 C TRP A 48 -1.602 1.119 -9.724 1.00 0.00 C ATOM 667 O TRP A 48 -1.516 2.001 -10.578 1.00 0.00 O ATOM 668 CB TRP A 48 -3.957 0.472 -9.185 1.00 0.00 C ATOM 669 CG TRP A 48 -4.917 0.089 -8.100 1.00 0.00 C ATOM 670 CD1 TRP A 48 -5.845 0.895 -7.505 1.00 0.00 C ATOM 671 CD2 TRP A 48 -5.040 -1.195 -7.479 1.00 0.00 C ATOM 672 NE1 TRP A 48 -6.538 0.189 -6.551 1.00 0.00 N ATOM 673 CE2 TRP A 48 -6.064 -1.096 -6.517 1.00 0.00 C ATOM 674 CE3 TRP A 48 -4.387 -2.419 -7.644 1.00 0.00 C ATOM 675 CZ2 TRP A 48 -6.447 -2.175 -5.724 1.00 0.00 C ATOM 676 CZ3 TRP A 48 -4.768 -3.489 -6.856 1.00 0.00 C ATOM 677 CH2 TRP A 48 -5.791 -3.361 -5.907 1.00 0.00 C ATOM 0 H TRP A 48 -3.884 2.890 -8.630 1.00 0.00 H new ATOM 0 HA TRP A 48 -2.340 0.635 -7.779 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.461 1.135 -9.889 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.670 -0.422 -9.739 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.010 1.934 -7.748 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.284 0.561 -5.964 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -3.599 -2.527 -8.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.234 -2.079 -4.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -4.269 -4.439 -6.974 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -6.067 -4.216 -5.308 1.00 0.00 H new ATOM 688 N GLY A 49 -0.765 0.087 -9.665 1.00 0.00 N ATOM 689 CA GLY A 49 0.312 -0.051 -10.627 1.00 0.00 C ATOM 690 C GLY A 49 1.400 0.986 -10.432 1.00 0.00 C ATOM 691 O GLY A 49 1.577 1.512 -9.333 1.00 0.00 O ATOM 0 H GLY A 49 -0.814 -0.656 -8.968 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.745 -1.048 -10.542 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.092 0.036 -11.635 1.00 0.00 H new ATOM 695 N ASP A 50 2.132 1.281 -11.501 1.00 0.00 N ATOM 696 CA ASP A 50 3.209 2.263 -11.443 1.00 0.00 C ATOM 697 C ASP A 50 2.658 3.681 -11.544 1.00 0.00 C ATOM 698 O ASP A 50 3.197 4.517 -12.270 1.00 0.00 O ATOM 699 CB ASP A 50 4.217 2.012 -12.565 1.00 0.00 C ATOM 700 CG ASP A 50 5.623 2.434 -12.186 1.00 0.00 C ATOM 701 OD1 ASP A 50 6.087 2.038 -11.096 1.00 0.00 O ATOM 702 OD2 ASP A 50 6.259 3.158 -12.979 1.00 0.00 O ATOM 0 H ASP A 50 1.999 0.854 -12.418 1.00 0.00 H new ATOM 0 HA ASP A 50 3.713 2.157 -10.482 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.215 0.952 -12.820 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.906 2.555 -13.457 1.00 0.00 H new ATOM 707 N ASP A 51 1.580 3.946 -10.813 1.00 0.00 N ATOM 708 CA ASP A 51 0.956 5.263 -10.821 1.00 0.00 C ATOM 709 C ASP A 51 1.515 6.136 -9.702 1.00 0.00 C ATOM 710 O ASP A 51 1.754 7.329 -9.892 1.00 0.00 O ATOM 711 CB ASP A 51 -0.561 5.133 -10.673 1.00 0.00 C ATOM 712 CG ASP A 51 -1.263 4.992 -12.010 1.00 0.00 C ATOM 713 OD1 ASP A 51 -1.106 3.933 -12.654 1.00 0.00 O ATOM 714 OD2 ASP A 51 -1.969 5.940 -12.412 1.00 0.00 O ATOM 0 H ASP A 51 1.121 3.266 -10.208 1.00 0.00 H new ATOM 0 HA ASP A 51 1.181 5.739 -11.776 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.790 4.266 -10.053 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.949 6.009 -10.153 1.00 0.00 H new ATOM 719 N TYR A 52 1.719 5.535 -8.535 1.00 0.00 N ATOM 720 CA TYR A 52 2.247 6.258 -7.384 1.00 0.00 C ATOM 721 C TYR A 52 3.400 7.168 -7.795 1.00 0.00 C ATOM 722 O TYR A 52 3.462 8.331 -7.397 1.00 0.00 O ATOM 723 CB TYR A 52 2.715 5.276 -6.309 1.00 0.00 C ATOM 724 CG TYR A 52 3.795 4.329 -6.782 1.00 0.00 C ATOM 725 CD1 TYR A 52 3.474 3.174 -7.484 1.00 0.00 C ATOM 726 CD2 TYR A 52 5.135 4.590 -6.527 1.00 0.00 C ATOM 727 CE1 TYR A 52 4.457 2.305 -7.918 1.00 0.00 C ATOM 728 CE2 TYR A 52 6.125 3.728 -6.958 1.00 0.00 C ATOM 729 CZ TYR A 52 5.781 2.587 -7.653 1.00 0.00 C ATOM 730 OH TYR A 52 6.764 1.726 -8.083 1.00 0.00 O ATOM 0 H TYR A 52 1.527 4.549 -8.361 1.00 0.00 H new ATOM 0 HA TYR A 52 1.447 6.877 -6.977 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.086 5.838 -5.452 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.860 4.695 -5.963 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.438 2.951 -7.694 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.408 5.482 -5.983 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.190 1.411 -8.461 1.00 0.00 H new ATOM 0 HE2 TYR A 52 7.162 3.946 -6.752 1.00 0.00 H new ATOM 0 HH TYR A 52 6.728 1.650 -9.059 1.00 0.00 H new ATOM 740 N LYS A 53 4.314 6.629 -8.595 1.00 0.00 N ATOM 741 CA LYS A 53 5.467 7.390 -9.063 1.00 0.00 C ATOM 742 C LYS A 53 5.056 8.801 -9.473 1.00 0.00 C ATOM 743 O LYS A 53 5.608 9.786 -8.981 1.00 0.00 O ATOM 744 CB LYS A 53 6.130 6.677 -10.243 1.00 0.00 C ATOM 745 CG LYS A 53 6.640 5.287 -9.905 1.00 0.00 C ATOM 746 CD LYS A 53 7.778 4.872 -10.823 1.00 0.00 C ATOM 747 CE LYS A 53 9.119 5.376 -10.311 1.00 0.00 C ATOM 748 NZ LYS A 53 9.394 6.770 -10.755 1.00 0.00 N ATOM 0 H LYS A 53 4.279 5.667 -8.933 1.00 0.00 H new ATOM 0 HA LYS A 53 6.181 7.462 -8.243 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.413 6.603 -11.061 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.962 7.283 -10.602 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.980 5.265 -8.870 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.824 4.569 -9.988 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.803 3.785 -10.904 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.600 5.263 -11.825 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.131 5.333 -9.222 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.913 4.719 -10.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.397 6.860 -11.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.801 6.995 -11.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.177 7.430 -9.981 1.00 0.00 H new ATOM 762 N SER A 54 4.085 8.891 -10.376 1.00 0.00 N ATOM 763 CA SER A 54 3.603 10.182 -10.853 1.00 0.00 C ATOM 764 C SER A 54 3.268 11.103 -9.684 1.00 0.00 C ATOM 765 O SER A 54 3.596 12.290 -9.701 1.00 0.00 O ATOM 766 CB SER A 54 2.369 9.993 -11.738 1.00 0.00 C ATOM 767 OG SER A 54 1.851 11.242 -12.164 1.00 0.00 O ATOM 0 H SER A 54 3.617 8.086 -10.792 1.00 0.00 H new ATOM 0 HA SER A 54 4.396 10.644 -11.441 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.630 9.388 -12.607 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.603 9.447 -11.188 1.00 0.00 H new ATOM 0 HG SER A 54 1.064 11.094 -12.729 1.00 0.00 H new ATOM 773 N HIS A 55 2.614 10.548 -8.669 1.00 0.00 N ATOM 774 CA HIS A 55 2.235 11.319 -7.491 1.00 0.00 C ATOM 775 C HIS A 55 3.465 11.918 -6.815 1.00 0.00 C ATOM 776 O HIS A 55 4.265 11.203 -6.212 1.00 0.00 O ATOM 777 CB HIS A 55 1.474 10.437 -6.501 1.00 0.00 C ATOM 778 CG HIS A 55 0.645 11.211 -5.523 1.00 0.00 C ATOM 779 ND1 HIS A 55 -0.227 12.211 -5.901 1.00 0.00 N ATOM 780 CD2 HIS A 55 0.556 11.126 -4.175 1.00 0.00 C ATOM 781 CE1 HIS A 55 -0.814 12.708 -4.828 1.00 0.00 C ATOM 782 NE2 HIS A 55 -0.357 12.067 -3.767 1.00 0.00 N ATOM 0 H HIS A 55 2.336 9.567 -8.639 1.00 0.00 H new ATOM 0 HA HIS A 55 1.586 12.133 -7.814 1.00 0.00 H new ATOM 0 HB2 HIS A 55 0.827 9.758 -7.056 1.00 0.00 H new ATOM 0 HB3 HIS A 55 2.187 9.821 -5.953 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -0.392 12.518 -6.859 1.00 0.00 H new ATOM 0 HD2 HIS A 55 1.102 10.445 -3.539 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -1.544 13.504 -4.819 1.00 0.00 H new ATOM 790 N VAL A 56 3.610 13.235 -6.921 1.00 0.00 N ATOM 791 CA VAL A 56 4.742 13.931 -6.320 1.00 0.00 C ATOM 792 C VAL A 56 4.292 14.811 -5.159 1.00 0.00 C ATOM 793 O VAL A 56 4.961 14.889 -4.129 1.00 0.00 O ATOM 794 CB VAL A 56 5.479 14.801 -7.355 1.00 0.00 C ATOM 795 CG1 VAL A 56 6.055 13.936 -8.466 1.00 0.00 C ATOM 796 CG2 VAL A 56 4.547 15.861 -7.921 1.00 0.00 C ATOM 0 H VAL A 56 2.958 13.842 -7.418 1.00 0.00 H new ATOM 0 HA VAL A 56 5.424 13.166 -5.949 1.00 0.00 H new ATOM 0 HB VAL A 56 6.305 15.307 -6.856 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.572 14.568 -9.188 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.758 13.219 -8.042 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.248 13.400 -8.965 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.085 16.466 -8.651 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.698 15.378 -8.405 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.189 16.499 -7.113 1.00 0.00 H new ATOM 806 N LYS A 57 3.154 15.475 -5.334 1.00 0.00 N ATOM 807 CA LYS A 57 2.612 16.350 -4.301 1.00 0.00 C ATOM 808 C LYS A 57 1.125 16.085 -4.088 1.00 0.00 C ATOM 809 O LYS A 57 0.471 15.457 -4.921 1.00 0.00 O ATOM 810 CB LYS A 57 2.831 17.817 -4.680 1.00 0.00 C ATOM 811 CG LYS A 57 4.194 18.352 -4.277 1.00 0.00 C ATOM 812 CD LYS A 57 4.625 19.506 -5.166 1.00 0.00 C ATOM 813 CE LYS A 57 4.028 20.824 -4.698 1.00 0.00 C ATOM 814 NZ LYS A 57 2.542 20.824 -4.794 1.00 0.00 N ATOM 0 H LYS A 57 2.589 15.424 -6.182 1.00 0.00 H new ATOM 0 HA LYS A 57 3.137 16.139 -3.369 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.711 17.927 -5.758 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.058 18.424 -4.210 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.164 18.683 -3.239 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.932 17.552 -4.335 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.713 19.578 -5.168 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.317 19.310 -6.193 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.325 21.012 -3.666 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.431 21.639 -5.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.204 21.795 -4.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.245 20.220 -5.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.137 20.457 -3.909 1.00 0.00 H new ATOM 828 N CYS A 58 0.597 16.570 -2.969 1.00 0.00 N ATOM 829 CA CYS A 58 -0.813 16.387 -2.648 1.00 0.00 C ATOM 830 C CYS A 58 -1.542 17.727 -2.614 1.00 0.00 C ATOM 831 O CYS A 58 -2.333 17.992 -1.708 1.00 0.00 O ATOM 832 CB CYS A 58 -0.962 15.678 -1.300 1.00 0.00 C ATOM 833 SG CYS A 58 -0.016 14.128 -1.166 1.00 0.00 S ATOM 0 H CYS A 58 1.125 17.093 -2.270 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.261 15.770 -3.427 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.643 16.356 -0.508 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.017 15.463 -1.129 1.00 0.00 H new ATOM 0 HG CYS A 58 -0.237 13.393 -2.215 1.00 0.00 H new