USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 274 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 8 THR OG1 : rot 180:sc= -0.0165 USER MOD Set 1.2: A 9 ASN : amide:sc= -0.0119 K(o=-0.028,f=-0.74) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0745 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0636 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -5.09! C(o=-5.1!,f=-6!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -61:sc= -0.769! USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -4.24! C(o=-4.2!,f=-4!) USER MOD Single : A 32 LYS NZ :NH3+ -163:sc= -0.0777 (180deg=-0.631) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 4 4.438 -3.368 -9.308 1.00 0.00 N ATOM 2 CA THR A 4 3.670 -2.502 -8.369 1.00 0.00 C ATOM 3 C THR A 4 4.418 -1.183 -8.166 1.00 0.00 C ATOM 4 O THR A 4 5.174 -0.750 -9.013 1.00 0.00 O ATOM 5 CB THR A 4 3.516 -3.216 -7.025 1.00 0.00 C ATOM 6 OG1 THR A 4 4.742 -3.145 -6.310 1.00 0.00 O ATOM 7 CG2 THR A 4 3.146 -4.681 -7.263 1.00 0.00 C ATOM 0 HA THR A 4 2.683 -2.299 -8.785 1.00 0.00 H new ATOM 0 HB THR A 4 2.728 -2.735 -6.445 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.645 -3.601 -5.448 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.037 -5.189 -6.305 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.206 -4.734 -7.811 1.00 0.00 H new ATOM 0 HG23 THR A 4 3.932 -5.165 -7.843 1.00 0.00 H new ATOM 17 N ILE A 5 4.214 -0.539 -7.049 1.00 0.00 N ATOM 18 CA ILE A 5 4.915 0.752 -6.794 1.00 0.00 C ATOM 19 C ILE A 5 5.840 0.601 -5.586 1.00 0.00 C ATOM 20 O ILE A 5 5.759 -0.358 -4.845 1.00 0.00 O ATOM 21 CB ILE A 5 3.886 1.849 -6.503 1.00 0.00 C ATOM 22 CG1 ILE A 5 2.654 1.659 -7.391 1.00 0.00 C ATOM 23 CG2 ILE A 5 4.509 3.218 -6.786 1.00 0.00 C ATOM 24 CD1 ILE A 5 1.480 2.449 -6.806 1.00 0.00 C ATOM 0 H ILE A 5 3.593 -0.851 -6.302 1.00 0.00 H new ATOM 0 HA ILE A 5 5.499 1.022 -7.674 1.00 0.00 H new ATOM 0 HB ILE A 5 3.586 1.790 -5.457 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.867 1.999 -8.405 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.399 0.601 -7.456 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.778 4.000 -6.580 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.382 3.359 -6.148 1.00 0.00 H new ATOM 0 HG23 ILE A 5 4.811 3.271 -7.832 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.601 2.315 -7.437 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.263 2.088 -5.801 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.739 3.507 -6.764 1.00 0.00 H new ATOM 36 N SER A 6 6.712 1.548 -5.376 1.00 0.00 N ATOM 37 CA SER A 6 7.635 1.470 -4.210 1.00 0.00 C ATOM 38 C SER A 6 7.048 2.290 -3.062 1.00 0.00 C ATOM 39 O SER A 6 6.096 3.024 -3.239 1.00 0.00 O ATOM 40 CB SER A 6 8.999 2.040 -4.599 1.00 0.00 C ATOM 41 OG SER A 6 8.846 2.900 -5.720 1.00 0.00 O ATOM 0 H SER A 6 6.825 2.374 -5.963 1.00 0.00 H new ATOM 0 HA SER A 6 7.756 0.432 -3.901 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.429 2.589 -3.761 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.689 1.231 -4.838 1.00 0.00 H new ATOM 0 HG SER A 6 9.719 3.269 -5.971 1.00 0.00 H new ATOM 47 N CYS A 7 7.601 2.178 -1.885 1.00 0.00 N ATOM 48 CA CYS A 7 7.056 2.963 -0.741 1.00 0.00 C ATOM 49 C CYS A 7 7.794 2.596 0.547 1.00 0.00 C ATOM 50 O CYS A 7 7.517 1.587 1.165 1.00 0.00 O ATOM 51 CB CYS A 7 5.567 2.650 -0.578 1.00 0.00 C ATOM 52 SG CYS A 7 5.324 0.856 -0.561 1.00 0.00 S ATOM 0 H CYS A 7 8.400 1.582 -1.667 1.00 0.00 H new ATOM 0 HA CYS A 7 7.193 4.026 -0.940 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.192 3.087 0.347 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.999 3.097 -1.394 1.00 0.00 H new ATOM 57 N THR A 8 8.722 3.412 0.966 1.00 0.00 N ATOM 58 CA THR A 8 9.460 3.113 2.223 1.00 0.00 C ATOM 59 C THR A 8 8.489 3.210 3.403 1.00 0.00 C ATOM 60 O THR A 8 8.792 2.805 4.507 1.00 0.00 O ATOM 61 CB THR A 8 10.595 4.124 2.407 1.00 0.00 C ATOM 62 OG1 THR A 8 10.045 5.406 2.689 1.00 0.00 O ATOM 63 CG2 THR A 8 11.434 4.190 1.128 1.00 0.00 C ATOM 0 H THR A 8 9.000 4.271 0.492 1.00 0.00 H new ATOM 0 HA THR A 8 9.882 2.109 2.173 1.00 0.00 H new ATOM 0 HB THR A 8 11.230 3.813 3.237 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.770 6.054 2.809 1.00 0.00 H new ATOM 0 HG21 THR A 8 12.242 4.910 1.260 1.00 0.00 H new ATOM 0 HG22 THR A 8 11.855 3.207 0.918 1.00 0.00 H new ATOM 0 HG23 THR A 8 10.803 4.500 0.295 1.00 0.00 H new ATOM 71 N ASN A 9 7.320 3.746 3.172 1.00 0.00 N ATOM 72 CA ASN A 9 6.321 3.871 4.271 1.00 0.00 C ATOM 73 C ASN A 9 4.918 3.618 3.710 1.00 0.00 C ATOM 74 O ASN A 9 4.728 3.587 2.509 1.00 0.00 O ATOM 75 CB ASN A 9 6.383 5.279 4.879 1.00 0.00 C ATOM 76 CG ASN A 9 6.987 6.263 3.873 1.00 0.00 C ATOM 77 OD1 ASN A 9 8.076 6.763 4.072 1.00 0.00 O ATOM 78 ND2 ASN A 9 6.320 6.562 2.791 1.00 0.00 N ATOM 0 H ASN A 9 7.014 4.103 2.267 1.00 0.00 H new ATOM 0 HA ASN A 9 6.546 3.139 5.046 1.00 0.00 H new ATOM 0 HB2 ASN A 9 5.382 5.605 5.162 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.983 5.264 5.789 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.713 7.215 2.113 1.00 0.00 H new ATOM 0 HD22 ASN A 9 5.406 6.142 2.623 1.00 0.00 H new ATOM 85 N PRO A 10 3.978 3.441 4.602 1.00 0.00 N ATOM 86 CA PRO A 10 2.572 3.181 4.239 1.00 0.00 C ATOM 87 C PRO A 10 1.859 4.478 3.849 1.00 0.00 C ATOM 88 O PRO A 10 0.889 4.470 3.126 1.00 0.00 O ATOM 89 CB PRO A 10 1.972 2.616 5.526 1.00 0.00 C ATOM 90 CG PRO A 10 2.877 3.098 6.684 1.00 0.00 C ATOM 91 CD PRO A 10 4.229 3.482 6.058 1.00 0.00 C ATOM 0 HA PRO A 10 2.475 2.511 3.385 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.949 2.966 5.663 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.935 1.527 5.491 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.431 3.951 7.195 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.004 2.312 7.428 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.550 4.473 6.379 1.00 0.00 H new ATOM 0 HD3 PRO A 10 5.014 2.784 6.347 1.00 0.00 H new ATOM 99 N LYS A 11 2.328 5.587 4.342 1.00 0.00 N ATOM 100 CA LYS A 11 1.680 6.894 4.026 1.00 0.00 C ATOM 101 C LYS A 11 1.434 7.021 2.520 1.00 0.00 C ATOM 102 O LYS A 11 0.507 7.677 2.088 1.00 0.00 O ATOM 103 CB LYS A 11 2.597 8.029 4.481 1.00 0.00 C ATOM 104 CG LYS A 11 1.952 8.776 5.648 1.00 0.00 C ATOM 105 CD LYS A 11 2.876 9.909 6.098 1.00 0.00 C ATOM 106 CE LYS A 11 2.887 9.986 7.625 1.00 0.00 C ATOM 107 NZ LYS A 11 2.191 11.229 8.063 1.00 0.00 N ATOM 0 H LYS A 11 3.140 5.648 4.956 1.00 0.00 H new ATOM 0 HA LYS A 11 0.723 6.949 4.545 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.565 7.629 4.783 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.780 8.715 3.654 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.985 9.178 5.347 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.768 8.091 6.476 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.886 9.738 5.725 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.537 10.856 5.678 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.393 9.111 8.048 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.913 9.982 7.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.198 11.283 9.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.681 12.058 7.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.208 11.215 7.723 1.00 0.00 H new ATOM 121 N GLN A 12 2.260 6.412 1.716 1.00 0.00 N ATOM 122 CA GLN A 12 2.070 6.516 0.238 1.00 0.00 C ATOM 123 C GLN A 12 1.083 5.447 -0.240 1.00 0.00 C ATOM 124 O GLN A 12 0.266 5.682 -1.113 1.00 0.00 O ATOM 125 CB GLN A 12 3.417 6.321 -0.461 1.00 0.00 C ATOM 126 CG GLN A 12 3.801 7.610 -1.194 1.00 0.00 C ATOM 127 CD GLN A 12 4.831 7.291 -2.280 1.00 0.00 C ATOM 128 OE1 GLN A 12 4.516 6.645 -3.260 1.00 0.00 O ATOM 129 NE2 GLN A 12 6.056 7.721 -2.149 1.00 0.00 N ATOM 0 H GLN A 12 3.056 5.848 2.014 1.00 0.00 H new ATOM 0 HA GLN A 12 1.671 7.501 -0.005 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.184 6.062 0.269 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.356 5.492 -1.167 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.916 8.065 -1.639 1.00 0.00 H new ATOM 0 HG3 GLN A 12 4.212 8.333 -0.489 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.321 8.263 -1.327 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.749 7.515 -2.869 1.00 0.00 H new ATOM 138 N CYS A 13 1.149 4.273 0.325 1.00 0.00 N ATOM 139 CA CYS A 13 0.216 3.193 -0.097 1.00 0.00 C ATOM 140 C CYS A 13 -1.134 3.384 0.600 1.00 0.00 C ATOM 141 O CYS A 13 -2.083 2.671 0.339 1.00 0.00 O ATOM 142 CB CYS A 13 0.800 1.836 0.292 1.00 0.00 C ATOM 143 SG CYS A 13 2.070 1.362 -0.905 1.00 0.00 S ATOM 0 H CYS A 13 1.808 4.016 1.060 1.00 0.00 H new ATOM 0 HA CYS A 13 0.077 3.234 -1.177 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.229 1.886 1.293 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.012 1.083 0.320 1.00 0.00 H new ATOM 148 N TYR A 14 -1.231 4.343 1.480 1.00 0.00 N ATOM 149 CA TYR A 14 -2.510 4.578 2.187 1.00 0.00 C ATOM 150 C TYR A 14 -3.517 5.184 1.206 1.00 0.00 C ATOM 151 O TYR A 14 -4.604 4.664 1.043 1.00 0.00 O ATOM 152 CB TYR A 14 -2.264 5.525 3.363 1.00 0.00 C ATOM 153 CG TYR A 14 -2.177 4.726 4.641 1.00 0.00 C ATOM 154 CD1 TYR A 14 -3.217 3.859 5.000 1.00 0.00 C ATOM 155 CD2 TYR A 14 -1.052 4.848 5.466 1.00 0.00 C ATOM 156 CE1 TYR A 14 -3.132 3.115 6.184 1.00 0.00 C ATOM 157 CE2 TYR A 14 -0.968 4.105 6.651 1.00 0.00 C ATOM 158 CZ TYR A 14 -2.007 3.238 7.009 1.00 0.00 C ATOM 159 OH TYR A 14 -1.923 2.504 8.176 1.00 0.00 O ATOM 0 H TYR A 14 -0.472 4.974 1.737 1.00 0.00 H new ATOM 0 HA TYR A 14 -2.912 3.640 2.570 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.341 6.084 3.207 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.071 6.255 3.432 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.085 3.764 4.364 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.249 5.515 5.189 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.934 2.447 6.461 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.101 4.201 7.288 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.078 2.706 8.630 1.00 0.00 H new ATOM 169 N PRO A 15 -3.116 6.249 0.557 1.00 0.00 N ATOM 170 CA PRO A 15 -3.957 6.920 -0.443 1.00 0.00 C ATOM 171 C PRO A 15 -3.996 6.119 -1.748 1.00 0.00 C ATOM 172 O PRO A 15 -5.041 5.937 -2.340 1.00 0.00 O ATOM 173 CB PRO A 15 -3.288 8.284 -0.628 1.00 0.00 C ATOM 174 CG PRO A 15 -1.836 8.155 -0.109 1.00 0.00 C ATOM 175 CD PRO A 15 -1.792 6.880 0.756 1.00 0.00 C ATOM 0 HA PRO A 15 -4.998 7.014 -0.134 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.297 8.578 -1.678 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.827 9.055 -0.077 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.132 8.085 -0.939 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.554 9.030 0.476 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.986 6.217 0.444 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.620 7.119 1.806 1.00 0.00 H new ATOM 183 N HIS A 16 -2.874 5.630 -2.197 1.00 0.00 N ATOM 184 CA HIS A 16 -2.865 4.833 -3.455 1.00 0.00 C ATOM 185 C HIS A 16 -3.861 3.677 -3.321 1.00 0.00 C ATOM 186 O HIS A 16 -4.531 3.310 -4.265 1.00 0.00 O ATOM 187 CB HIS A 16 -1.462 4.273 -3.699 1.00 0.00 C ATOM 188 CG HIS A 16 -1.506 3.279 -4.827 1.00 0.00 C ATOM 189 ND1 HIS A 16 -2.249 3.496 -5.976 1.00 0.00 N ATOM 190 CD2 HIS A 16 -0.902 2.057 -4.996 1.00 0.00 C ATOM 191 CE1 HIS A 16 -2.077 2.430 -6.779 1.00 0.00 C ATOM 192 NE2 HIS A 16 -1.265 1.523 -6.229 1.00 0.00 N ATOM 0 H HIS A 16 -1.965 5.747 -1.749 1.00 0.00 H new ATOM 0 HA HIS A 16 -3.148 5.469 -4.294 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -0.773 5.082 -3.941 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -1.087 3.795 -2.794 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -0.246 1.583 -4.281 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -2.539 2.321 -7.749 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -0.973 0.630 -6.627 1.00 0.00 H new ATOM 200 N CYS A 17 -3.961 3.102 -2.153 1.00 0.00 N ATOM 201 CA CYS A 17 -4.913 1.971 -1.958 1.00 0.00 C ATOM 202 C CYS A 17 -6.307 2.520 -1.649 1.00 0.00 C ATOM 203 O CYS A 17 -7.309 1.888 -1.921 1.00 0.00 O ATOM 204 CB CYS A 17 -4.443 1.101 -0.789 1.00 0.00 C ATOM 205 SG CYS A 17 -2.925 0.232 -1.256 1.00 0.00 S ATOM 0 H CYS A 17 -3.425 3.366 -1.326 1.00 0.00 H new ATOM 0 HA CYS A 17 -4.950 1.372 -2.868 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.265 1.720 0.090 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.218 0.383 -0.521 1.00 0.00 H new ATOM 210 N LYS A 18 -6.381 3.691 -1.076 1.00 0.00 N ATOM 211 CA LYS A 18 -7.710 4.277 -0.744 1.00 0.00 C ATOM 212 C LYS A 18 -8.641 4.160 -1.952 1.00 0.00 C ATOM 213 O LYS A 18 -9.847 4.110 -1.815 1.00 0.00 O ATOM 214 CB LYS A 18 -7.540 5.753 -0.377 1.00 0.00 C ATOM 215 CG LYS A 18 -8.916 6.395 -0.183 1.00 0.00 C ATOM 216 CD LYS A 18 -8.761 7.718 0.571 1.00 0.00 C ATOM 217 CE LYS A 18 -8.793 8.882 -0.421 1.00 0.00 C ATOM 218 NZ LYS A 18 -7.400 9.306 -0.739 1.00 0.00 N ATOM 0 H LYS A 18 -5.578 4.267 -0.824 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.140 3.737 0.099 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.952 5.846 0.536 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.992 6.273 -1.163 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.388 6.569 -1.150 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.568 5.722 0.373 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.562 7.828 1.302 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.822 7.725 1.125 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.310 8.582 -1.333 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.351 9.718 0.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.423 10.097 -1.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.922 9.609 0.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.882 8.508 -1.159 1.00 0.00 H new ATOM 232 N LYS A 19 -8.091 4.116 -3.133 1.00 0.00 N ATOM 233 CA LYS A 19 -8.948 4.005 -4.348 1.00 0.00 C ATOM 234 C LYS A 19 -8.867 2.583 -4.905 1.00 0.00 C ATOM 235 O LYS A 19 -9.783 2.103 -5.542 1.00 0.00 O ATOM 236 CB LYS A 19 -8.462 4.996 -5.408 1.00 0.00 C ATOM 237 CG LYS A 19 -8.071 6.313 -4.734 1.00 0.00 C ATOM 238 CD LYS A 19 -8.524 7.489 -5.602 1.00 0.00 C ATOM 239 CE LYS A 19 -7.838 7.412 -6.968 1.00 0.00 C ATOM 240 NZ LYS A 19 -8.678 8.106 -7.984 1.00 0.00 N ATOM 0 H LYS A 19 -7.087 4.152 -3.310 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.981 4.232 -4.084 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.608 4.582 -5.944 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.246 5.171 -6.145 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.530 6.378 -3.747 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.992 6.351 -4.587 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.607 7.467 -5.726 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.278 8.431 -5.113 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.852 7.874 -6.918 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.688 6.371 -7.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.213 8.054 -8.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.609 7.646 -8.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.799 9.103 -7.712 1.00 0.00 H new ATOM 254 N GLU A 20 -7.777 1.905 -4.672 1.00 0.00 N ATOM 255 CA GLU A 20 -7.638 0.517 -5.190 1.00 0.00 C ATOM 256 C GLU A 20 -8.751 -0.354 -4.608 1.00 0.00 C ATOM 257 O GLU A 20 -9.457 -1.038 -5.323 1.00 0.00 O ATOM 258 CB GLU A 20 -6.278 -0.045 -4.773 1.00 0.00 C ATOM 259 CG GLU A 20 -5.183 0.597 -5.626 1.00 0.00 C ATOM 260 CD GLU A 20 -5.224 0.005 -7.035 1.00 0.00 C ATOM 261 OE1 GLU A 20 -5.529 -1.171 -7.153 1.00 0.00 O ATOM 262 OE2 GLU A 20 -4.951 0.736 -7.972 1.00 0.00 O ATOM 0 H GLU A 20 -6.976 2.254 -4.145 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.711 0.522 -6.278 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.097 0.156 -3.717 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.265 -1.128 -4.899 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.326 1.677 -5.669 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.206 0.423 -5.175 1.00 0.00 H new ATOM 269 N THR A 21 -8.913 -0.333 -3.315 1.00 0.00 N ATOM 270 CA THR A 21 -9.981 -1.158 -2.684 1.00 0.00 C ATOM 271 C THR A 21 -10.731 -0.312 -1.654 1.00 0.00 C ATOM 272 O THR A 21 -11.053 -0.772 -0.577 1.00 0.00 O ATOM 273 CB THR A 21 -9.352 -2.367 -1.989 1.00 0.00 C ATOM 274 OG1 THR A 21 -10.330 -3.005 -1.179 1.00 0.00 O ATOM 275 CG2 THR A 21 -8.186 -1.906 -1.115 1.00 0.00 C ATOM 0 H THR A 21 -8.352 0.220 -2.667 1.00 0.00 H new ATOM 0 HA THR A 21 -10.675 -1.503 -3.451 1.00 0.00 H new ATOM 0 HB THR A 21 -8.985 -3.068 -2.739 1.00 0.00 H new ATOM 0 HG1 THR A 21 -10.641 -2.382 -0.489 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.739 -2.768 -0.620 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.437 -1.415 -1.737 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.549 -1.205 -0.364 1.00 0.00 H new ATOM 283 N GLY A 22 -11.014 0.921 -1.978 1.00 0.00 N ATOM 284 CA GLY A 22 -11.742 1.794 -1.020 1.00 0.00 C ATOM 285 C GLY A 22 -10.863 2.060 0.204 1.00 0.00 C ATOM 286 O GLY A 22 -10.157 3.045 0.272 1.00 0.00 O ATOM 0 H GLY A 22 -10.771 1.360 -2.866 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -12.008 2.736 -1.501 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.674 1.318 -0.714 1.00 0.00 H new ATOM 290 N TYR A 23 -10.902 1.187 1.174 1.00 0.00 N ATOM 291 CA TYR A 23 -10.071 1.390 2.394 1.00 0.00 C ATOM 292 C TYR A 23 -8.621 1.685 1.991 1.00 0.00 C ATOM 293 O TYR A 23 -8.083 1.037 1.115 1.00 0.00 O ATOM 294 CB TYR A 23 -10.103 0.118 3.242 1.00 0.00 C ATOM 295 CG TYR A 23 -11.181 0.239 4.291 1.00 0.00 C ATOM 296 CD1 TYR A 23 -12.524 0.330 3.906 1.00 0.00 C ATOM 297 CD2 TYR A 23 -10.837 0.261 5.647 1.00 0.00 C ATOM 298 CE1 TYR A 23 -13.524 0.441 4.880 1.00 0.00 C ATOM 299 CE2 TYR A 23 -11.836 0.372 6.620 1.00 0.00 C ATOM 300 CZ TYR A 23 -13.180 0.461 6.237 1.00 0.00 C ATOM 301 OH TYR A 23 -14.166 0.571 7.197 1.00 0.00 O ATOM 0 H TYR A 23 -11.474 0.342 1.174 1.00 0.00 H new ATOM 0 HA TYR A 23 -10.468 2.230 2.964 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -10.292 -0.749 2.609 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -9.135 -0.040 3.717 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -12.788 0.315 2.859 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.800 0.192 5.942 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -14.560 0.511 4.584 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -11.571 0.389 7.667 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.757 0.569 8.088 1.00 0.00 H new ATOM 311 N PRO A 24 -8.026 2.649 2.649 1.00 0.00 N ATOM 312 CA PRO A 24 -6.632 3.044 2.385 1.00 0.00 C ATOM 313 C PRO A 24 -5.672 2.060 3.059 1.00 0.00 C ATOM 314 O PRO A 24 -4.472 2.123 2.880 1.00 0.00 O ATOM 315 CB PRO A 24 -6.524 4.431 3.024 1.00 0.00 C ATOM 316 CG PRO A 24 -7.646 4.510 4.086 1.00 0.00 C ATOM 317 CD PRO A 24 -8.685 3.437 3.712 1.00 0.00 C ATOM 0 HA PRO A 24 -6.378 3.049 1.325 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.545 4.573 3.482 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.642 5.214 2.275 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.247 4.331 5.085 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.100 5.501 4.097 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.940 2.814 4.569 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.612 3.887 3.357 1.00 0.00 H new ATOM 325 N ASN A 25 -6.195 1.149 3.836 1.00 0.00 N ATOM 326 CA ASN A 25 -5.320 0.160 4.524 1.00 0.00 C ATOM 327 C ASN A 25 -4.290 -0.388 3.536 1.00 0.00 C ATOM 328 O ASN A 25 -4.628 -1.065 2.584 1.00 0.00 O ATOM 329 CB ASN A 25 -6.174 -0.991 5.058 1.00 0.00 C ATOM 330 CG ASN A 25 -5.544 -1.543 6.339 1.00 0.00 C ATOM 331 OD1 ASN A 25 -4.894 -2.569 6.316 1.00 0.00 O ATOM 332 ND2 ASN A 25 -5.710 -0.900 7.462 1.00 0.00 N ATOM 0 H ASN A 25 -7.193 1.048 4.023 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.805 0.647 5.352 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.187 -0.643 5.259 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -6.250 -1.779 4.309 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.294 -1.259 8.321 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.256 -0.039 7.481 1.00 0.00 H new ATOM 339 N ALA A 26 -3.037 -0.102 3.753 1.00 0.00 N ATOM 340 CA ALA A 26 -1.988 -0.609 2.825 1.00 0.00 C ATOM 341 C ALA A 26 -0.718 -0.927 3.618 1.00 0.00 C ATOM 342 O ALA A 26 -0.522 -0.437 4.713 1.00 0.00 O ATOM 343 CB ALA A 26 -1.681 0.460 1.776 1.00 0.00 C ATOM 0 H ALA A 26 -2.694 0.460 4.532 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.343 -1.513 2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.913 0.092 1.095 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.586 0.688 1.213 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.324 1.363 2.271 1.00 0.00 H new ATOM 349 N LYS A 27 0.145 -1.743 3.078 1.00 0.00 N ATOM 350 CA LYS A 27 1.396 -2.089 3.808 1.00 0.00 C ATOM 351 C LYS A 27 2.532 -2.318 2.809 1.00 0.00 C ATOM 352 O LYS A 27 2.345 -2.916 1.767 1.00 0.00 O ATOM 353 CB LYS A 27 1.172 -3.367 4.619 1.00 0.00 C ATOM 354 CG LYS A 27 0.100 -3.118 5.681 1.00 0.00 C ATOM 355 CD LYS A 27 0.370 -4.006 6.897 1.00 0.00 C ATOM 356 CE LYS A 27 1.714 -3.624 7.519 1.00 0.00 C ATOM 357 NZ LYS A 27 1.650 -3.809 8.997 1.00 0.00 N ATOM 0 H LYS A 27 0.038 -2.184 2.165 1.00 0.00 H new ATOM 0 HA LYS A 27 1.662 -1.269 4.476 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.864 -4.179 3.960 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.103 -3.677 5.093 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.102 -2.069 5.976 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.888 -3.332 5.273 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.428 -3.890 7.630 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.380 -5.055 6.600 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.509 -4.240 7.099 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.955 -2.588 7.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.564 -3.549 9.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.902 -3.203 9.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.439 -4.804 9.213 1.00 0.00 H new ATOM 371 N CYS A 28 3.711 -1.853 3.122 1.00 0.00 N ATOM 372 CA CYS A 28 4.862 -2.049 2.197 1.00 0.00 C ATOM 373 C CYS A 28 5.817 -3.081 2.802 1.00 0.00 C ATOM 374 O CYS A 28 6.239 -2.957 3.935 1.00 0.00 O ATOM 375 CB CYS A 28 5.598 -0.720 2.007 1.00 0.00 C ATOM 376 SG CYS A 28 4.486 0.484 1.239 1.00 0.00 S ATOM 0 H CYS A 28 3.926 -1.345 3.980 1.00 0.00 H new ATOM 0 HA CYS A 28 4.502 -2.402 1.230 1.00 0.00 H new ATOM 0 HB2 CYS A 28 5.948 -0.345 2.969 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.479 -0.867 1.383 1.00 0.00 H new ATOM 381 N MET A 29 6.156 -4.103 2.064 1.00 0.00 N ATOM 382 CA MET A 29 7.076 -5.139 2.612 1.00 0.00 C ATOM 383 C MET A 29 8.246 -5.362 1.650 1.00 0.00 C ATOM 384 O MET A 29 8.058 -5.618 0.479 1.00 0.00 O ATOM 385 CB MET A 29 6.311 -6.451 2.795 1.00 0.00 C ATOM 386 CG MET A 29 5.079 -6.209 3.670 1.00 0.00 C ATOM 387 SD MET A 29 5.362 -6.904 5.316 1.00 0.00 S ATOM 388 CE MET A 29 4.440 -8.442 5.075 1.00 0.00 C ATOM 0 H MET A 29 5.837 -4.265 1.109 1.00 0.00 H new ATOM 0 HA MET A 29 7.464 -4.801 3.573 1.00 0.00 H new ATOM 0 HB2 MET A 29 6.009 -6.846 1.825 1.00 0.00 H new ATOM 0 HB3 MET A 29 6.956 -7.199 3.256 1.00 0.00 H new ATOM 0 HG2 MET A 29 4.877 -5.140 3.745 1.00 0.00 H new ATOM 0 HG3 MET A 29 4.201 -6.668 3.216 1.00 0.00 H new ATOM 0 HE1 MET A 29 4.483 -9.039 5.986 1.00 0.00 H new ATOM 0 HE2 MET A 29 3.401 -8.210 4.841 1.00 0.00 H new ATOM 0 HE3 MET A 29 4.880 -9.005 4.252 1.00 0.00 H new ATOM 398 N ASN A 30 9.453 -5.272 2.147 1.00 0.00 N ATOM 399 CA ASN A 30 10.649 -5.481 1.279 1.00 0.00 C ATOM 400 C ASN A 30 10.421 -4.845 -0.093 1.00 0.00 C ATOM 401 O ASN A 30 10.586 -5.480 -1.117 1.00 0.00 O ATOM 402 CB ASN A 30 10.906 -6.981 1.109 1.00 0.00 C ATOM 403 CG ASN A 30 9.591 -7.697 0.797 1.00 0.00 C ATOM 404 OD1 ASN A 30 9.213 -7.823 -0.351 1.00 0.00 O ATOM 405 ND2 ASN A 30 8.877 -8.177 1.777 1.00 0.00 N ATOM 0 H ASN A 30 9.662 -5.061 3.123 1.00 0.00 H new ATOM 0 HA ASN A 30 11.513 -5.013 1.750 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.622 -7.148 0.304 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.347 -7.390 2.018 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.000 -8.659 1.580 1.00 0.00 H new ATOM 0 HD22 ASN A 30 9.196 -8.070 2.740 1.00 0.00 H new ATOM 412 N ARG A 31 10.047 -3.597 -0.123 1.00 0.00 N ATOM 413 CA ARG A 31 9.814 -2.919 -1.431 1.00 0.00 C ATOM 414 C ARG A 31 8.653 -3.594 -2.165 1.00 0.00 C ATOM 415 O ARG A 31 8.735 -3.877 -3.344 1.00 0.00 O ATOM 416 CB ARG A 31 11.079 -3.015 -2.285 1.00 0.00 C ATOM 417 CG ARG A 31 12.298 -2.644 -1.438 1.00 0.00 C ATOM 418 CD ARG A 31 13.125 -1.586 -2.171 1.00 0.00 C ATOM 419 NE ARG A 31 14.231 -2.251 -2.914 1.00 0.00 N ATOM 420 CZ ARG A 31 14.996 -1.552 -3.709 1.00 0.00 C ATOM 421 NH1 ARG A 31 15.884 -0.737 -3.210 1.00 0.00 N ATOM 422 NH2 ARG A 31 14.869 -1.667 -5.002 1.00 0.00 N ATOM 0 H ARG A 31 9.892 -3.016 0.701 1.00 0.00 H new ATOM 0 HA ARG A 31 9.568 -1.872 -1.255 1.00 0.00 H new ATOM 0 HB2 ARG A 31 11.190 -4.026 -2.677 1.00 0.00 H new ATOM 0 HB3 ARG A 31 11.003 -2.347 -3.143 1.00 0.00 H new ATOM 0 HG2 ARG A 31 11.978 -2.263 -0.468 1.00 0.00 H new ATOM 0 HG3 ARG A 31 12.906 -3.529 -1.248 1.00 0.00 H new ATOM 0 HD2 ARG A 31 12.492 -1.028 -2.861 1.00 0.00 H new ATOM 0 HD3 ARG A 31 13.531 -0.868 -1.459 1.00 0.00 H new ATOM 0 HE ARG A 31 14.391 -3.252 -2.802 1.00 0.00 H new ATOM 0 HH11 ARG A 31 15.981 -0.646 -2.199 1.00 0.00 H new ATOM 0 HH12 ARG A 31 16.481 -0.191 -3.831 1.00 0.00 H new ATOM 0 HH21 ARG A 31 14.173 -2.302 -5.392 1.00 0.00 H new ATOM 0 HH22 ARG A 31 15.466 -1.121 -5.624 1.00 0.00 H new ATOM 436 N LYS A 32 7.573 -3.852 -1.481 1.00 0.00 N ATOM 437 CA LYS A 32 6.412 -4.504 -2.149 1.00 0.00 C ATOM 438 C LYS A 32 5.113 -3.976 -1.540 1.00 0.00 C ATOM 439 O LYS A 32 4.615 -4.499 -0.562 1.00 0.00 O ATOM 440 CB LYS A 32 6.491 -6.019 -1.950 1.00 0.00 C ATOM 441 CG LYS A 32 6.331 -6.717 -3.302 1.00 0.00 C ATOM 442 CD LYS A 32 5.844 -8.151 -3.083 1.00 0.00 C ATOM 443 CE LYS A 32 5.774 -8.878 -4.427 1.00 0.00 C ATOM 444 NZ LYS A 32 4.921 -8.100 -5.368 1.00 0.00 N ATOM 0 H LYS A 32 7.444 -3.640 -0.492 1.00 0.00 H new ATOM 0 HA LYS A 32 6.432 -4.278 -3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.446 -6.289 -1.500 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.711 -6.348 -1.264 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.620 -6.171 -3.923 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.282 -6.722 -3.835 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.520 -8.677 -2.408 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.862 -8.144 -2.610 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.775 -8.997 -4.841 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.364 -9.879 -4.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.635 -8.708 -6.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.074 -7.761 -4.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.457 -7.286 -5.731 1.00 0.00 H new ATOM 458 N CYS A 33 4.557 -2.943 -2.111 1.00 0.00 N ATOM 459 CA CYS A 33 3.290 -2.382 -1.567 1.00 0.00 C ATOM 460 C CYS A 33 2.186 -3.437 -1.664 1.00 0.00 C ATOM 461 O CYS A 33 2.227 -4.316 -2.503 1.00 0.00 O ATOM 462 CB CYS A 33 2.892 -1.147 -2.377 1.00 0.00 C ATOM 463 SG CYS A 33 1.414 -0.398 -1.649 1.00 0.00 S ATOM 0 H CYS A 33 4.927 -2.463 -2.932 1.00 0.00 H new ATOM 0 HA CYS A 33 3.432 -2.100 -0.524 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.710 -0.427 -2.387 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.699 -1.425 -3.413 1.00 0.00 H new ATOM 468 N LYS A 34 1.202 -3.361 -0.812 1.00 0.00 N ATOM 469 CA LYS A 34 0.101 -4.363 -0.856 1.00 0.00 C ATOM 470 C LYS A 34 -1.163 -3.760 -0.242 1.00 0.00 C ATOM 471 O LYS A 34 -1.271 -3.612 0.960 1.00 0.00 O ATOM 472 CB LYS A 34 0.511 -5.603 -0.058 1.00 0.00 C ATOM 473 CG LYS A 34 0.746 -6.774 -1.014 1.00 0.00 C ATOM 474 CD LYS A 34 -0.601 -7.304 -1.513 1.00 0.00 C ATOM 475 CE LYS A 34 -0.566 -8.833 -1.556 1.00 0.00 C ATOM 476 NZ LYS A 34 -1.279 -9.312 -2.773 1.00 0.00 N ATOM 0 H LYS A 34 1.113 -2.649 -0.087 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.095 -4.642 -1.891 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.417 -5.398 0.512 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.267 -5.858 0.662 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.357 -6.452 -1.857 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.295 -7.567 -0.507 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.402 -6.967 -0.855 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.815 -6.907 -2.505 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.466 -9.184 -1.564 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.035 -9.243 -0.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.255 -10.351 -2.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.267 -8.989 -2.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.813 -8.931 -3.621 1.00 0.00 H new ATOM 490 N CYS A 35 -2.122 -3.410 -1.056 1.00 0.00 N ATOM 491 CA CYS A 35 -3.378 -2.816 -0.517 1.00 0.00 C ATOM 492 C CYS A 35 -4.084 -3.838 0.377 1.00 0.00 C ATOM 493 O CYS A 35 -3.765 -5.010 0.369 1.00 0.00 O ATOM 494 CB CYS A 35 -4.298 -2.432 -1.676 1.00 0.00 C ATOM 495 SG CYS A 35 -3.529 -1.108 -2.642 1.00 0.00 S ATOM 0 H CYS A 35 -2.090 -3.510 -2.071 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.138 -1.927 0.067 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.483 -3.299 -2.310 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.265 -2.104 -1.294 1.00 0.00 H new ATOM 500 N PHE A 36 -5.042 -3.402 1.150 1.00 0.00 N ATOM 501 CA PHE A 36 -5.767 -4.349 2.044 1.00 0.00 C ATOM 502 C PHE A 36 -7.180 -3.823 2.309 1.00 0.00 C ATOM 503 O PHE A 36 -7.455 -3.249 3.343 1.00 0.00 O ATOM 504 CB PHE A 36 -5.014 -4.477 3.370 1.00 0.00 C ATOM 505 CG PHE A 36 -3.915 -5.501 3.226 1.00 0.00 C ATOM 506 CD1 PHE A 36 -4.204 -6.863 3.377 1.00 0.00 C ATOM 507 CD2 PHE A 36 -2.607 -5.090 2.941 1.00 0.00 C ATOM 508 CE1 PHE A 36 -3.185 -7.813 3.243 1.00 0.00 C ATOM 509 CE2 PHE A 36 -1.588 -6.041 2.806 1.00 0.00 C ATOM 510 CZ PHE A 36 -1.877 -7.403 2.958 1.00 0.00 C ATOM 0 H PHE A 36 -5.353 -2.432 1.201 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.828 -5.326 1.564 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.593 -3.513 3.656 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.700 -4.773 4.163 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.213 -7.180 3.597 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.384 -4.040 2.825 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.408 -8.863 3.360 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.579 -5.724 2.585 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.091 -8.137 2.855 1.00 0.00 H new ATOM 520 N GLY A 37 -8.076 -4.016 1.382 1.00 0.00 N ATOM 521 CA GLY A 37 -9.470 -3.529 1.580 1.00 0.00 C ATOM 522 C GLY A 37 -10.028 -4.090 2.889 1.00 0.00 C ATOM 523 O GLY A 37 -10.784 -3.440 3.582 1.00 0.00 O ATOM 0 H GLY A 37 -7.904 -4.490 0.495 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.485 -2.439 1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.096 -3.839 0.743 1.00 0.00 H new ATOM 527 N ARG A 38 -9.658 -5.293 3.233 1.00 0.00 N ATOM 528 CA ARG A 38 -10.163 -5.895 4.494 1.00 0.00 C ATOM 529 C ARG A 38 -9.062 -6.748 5.130 1.00 0.00 C ATOM 530 O ARG A 38 -9.383 -7.810 5.638 1.00 0.00 O ATOM 531 CB ARG A 38 -11.382 -6.774 4.200 1.00 0.00 C ATOM 532 CG ARG A 38 -12.137 -6.228 2.985 1.00 0.00 C ATOM 533 CD ARG A 38 -13.277 -7.181 2.622 1.00 0.00 C ATOM 534 NE ARG A 38 -12.736 -8.558 2.450 1.00 0.00 N ATOM 535 CZ ARG A 38 -13.505 -9.591 2.657 1.00 0.00 C ATOM 536 NH1 ARG A 38 -14.343 -9.977 1.733 1.00 0.00 N ATOM 537 NH2 ARG A 38 -13.440 -10.237 3.789 1.00 0.00 N ATOM 538 OXT ARG A 38 -7.919 -6.324 5.097 1.00 0.00 O ATOM 0 H ARG A 38 -9.026 -5.884 2.693 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.451 -5.099 5.180 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.065 -7.800 4.011 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -12.041 -6.799 5.068 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -12.534 -5.237 3.205 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.457 -6.119 2.140 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -14.036 -7.172 3.404 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -13.762 -6.852 1.703 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.764 -8.693 2.170 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -14.396 -9.471 0.849 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.944 -10.785 1.895 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.788 -9.934 4.512 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.042 -11.045 3.951 1.00 0.00 H new TER 552 ARG A 38