USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 636 hydrogens (31 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 16 HIS : no HE2:sc= -7.13! C(o=-8.4!,f=-16!) USER MOD Set 1.2: A 27 TYR OH : rot 151:sc= -1.31 USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00433) USER MOD Single : A 9 ASN :FLIP amide:sc= -1.7 F(o=-4!,f=-1.7) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -127:sc= -0.998 (180deg=-2.72!) USER MOD Single : A 20 THR OG1 : rot 142:sc= -6.46! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -174:sc= 0 (180deg=-0.00201) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -154:sc= 0.252 (180deg=0.0477) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0.363 X(o=0.36,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.467 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -2.47! C(o=-2.5!,f=-8!) USER MOD Single : A 52 SER OG : rot 72:sc= 1.05 USER MOD Single : A 53 GLN : amide:sc= -2.63! C(o=-2.6!,f=-2.2!) USER MOD Single : A 61 MET CE :methyl -107:sc= -7.96! (180deg=-12.7!) USER MOD Single : A 64 ASN :FLIP amide:sc= -1.1 F(o=-2.1,f=-1.1) USER MOD Single : A 67 SER OG : rot 180:sc= -0.129 USER MOD Single : A 72 GLN : amide:sc=-0.000869 K(o=-0.00087,f=-1.2!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -5.95! C(o=-5.9!,f=-8.9!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HEM CMA :methyl -30:sc= -11.3! (180deg=-14.5!) USER MOD Single : A 83 HEM CMB :methyl 150:sc= -13.6! (180deg=-13.6!) USER MOD Single : A 83 HEM CMC :methyl 150:sc= -1.09 (180deg=-1.09) USER MOD Single : A 83 HEM CMD :methyl -30:sc= -1.31 (180deg=-2.09) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 68.509 19.074 1.888 1.00 0.00 N ATOM 2 CA GLU A 1 68.296 17.912 0.976 1.00 0.00 C ATOM 3 C GLU A 1 67.770 16.711 1.768 1.00 0.00 C ATOM 4 O GLU A 1 68.518 16.011 2.421 1.00 0.00 O ATOM 5 CB GLU A 1 69.677 17.610 0.393 1.00 0.00 C ATOM 6 CG GLU A 1 69.761 18.156 -1.034 1.00 0.00 C ATOM 7 CD GLU A 1 69.669 16.998 -2.030 1.00 0.00 C ATOM 8 OE1 GLU A 1 68.724 16.233 -1.932 1.00 0.00 O ATOM 9 OE2 GLU A 1 70.544 16.898 -2.874 1.00 0.00 O ATOM 0 H1 GLU A 1 68.866 19.884 1.341 1.00 0.00 H new ATOM 0 H2 GLU A 1 67.608 19.331 2.339 1.00 0.00 H new ATOM 0 H3 GLU A 1 69.202 18.818 2.620 1.00 0.00 H new ATOM 0 HA GLU A 1 67.563 18.124 0.197 1.00 0.00 H new ATOM 0 HB2 GLU A 1 70.451 18.062 1.013 1.00 0.00 H new ATOM 0 HB3 GLU A 1 69.856 16.535 0.393 1.00 0.00 H new ATOM 0 HG2 GLU A 1 68.954 18.867 -1.211 1.00 0.00 H new ATOM 0 HG3 GLU A 1 70.697 18.696 -1.174 1.00 0.00 H new ATOM 18 N ASP A 2 66.487 16.471 1.721 1.00 0.00 N ATOM 19 CA ASP A 2 65.914 15.320 2.477 1.00 0.00 C ATOM 20 C ASP A 2 66.179 14.005 1.732 1.00 0.00 C ATOM 21 O ASP A 2 66.332 13.999 0.527 1.00 0.00 O ATOM 22 CB ASP A 2 64.412 15.600 2.547 1.00 0.00 C ATOM 23 CG ASP A 2 64.042 16.044 3.963 1.00 0.00 C ATOM 24 OD1 ASP A 2 64.948 16.300 4.738 1.00 0.00 O ATOM 25 OD2 ASP A 2 62.858 16.120 4.248 1.00 0.00 O ATOM 0 H ASP A 2 65.811 17.022 1.192 1.00 0.00 H new ATOM 0 HA ASP A 2 66.359 15.218 3.467 1.00 0.00 H new ATOM 0 HB2 ASP A 2 64.142 16.374 1.829 1.00 0.00 H new ATOM 0 HB3 ASP A 2 63.851 14.705 2.277 1.00 0.00 H new ATOM 30 N PRO A 3 66.226 12.926 2.478 1.00 0.00 N ATOM 31 CA PRO A 3 66.473 11.594 1.878 1.00 0.00 C ATOM 32 C PRO A 3 65.378 11.250 0.867 1.00 0.00 C ATOM 33 O PRO A 3 65.526 10.354 0.059 1.00 0.00 O ATOM 34 CB PRO A 3 66.423 10.661 3.094 1.00 0.00 C ATOM 35 CG PRO A 3 66.146 11.504 4.354 1.00 0.00 C ATOM 36 CD PRO A 3 66.033 12.980 3.948 1.00 0.00 C ATOM 0 HA PRO A 3 67.411 11.527 1.327 1.00 0.00 H new ATOM 0 HB2 PRO A 3 65.643 9.911 2.963 1.00 0.00 H new ATOM 0 HB3 PRO A 3 67.367 10.125 3.198 1.00 0.00 H new ATOM 0 HG2 PRO A 3 65.225 11.173 4.834 1.00 0.00 H new ATOM 0 HG3 PRO A 3 66.949 11.373 5.080 1.00 0.00 H new ATOM 0 HD2 PRO A 3 65.063 13.401 4.215 1.00 0.00 H new ATOM 0 HD3 PRO A 3 66.791 13.594 4.434 1.00 0.00 H new ATOM 44 N GLU A 4 64.286 11.959 0.893 1.00 0.00 N ATOM 45 CA GLU A 4 63.198 11.675 -0.084 1.00 0.00 C ATOM 46 C GLU A 4 63.629 12.155 -1.472 1.00 0.00 C ATOM 47 O GLU A 4 63.362 11.521 -2.474 1.00 0.00 O ATOM 48 CB GLU A 4 61.992 12.473 0.417 1.00 0.00 C ATOM 49 CG GLU A 4 60.704 11.728 0.062 1.00 0.00 C ATOM 50 CD GLU A 4 59.875 12.574 -0.907 1.00 0.00 C ATOM 51 OE1 GLU A 4 59.908 13.787 -0.781 1.00 0.00 O ATOM 52 OE2 GLU A 4 59.222 11.995 -1.759 1.00 0.00 O ATOM 0 H GLU A 4 64.099 12.720 1.545 1.00 0.00 H new ATOM 0 HA GLU A 4 62.966 10.613 -0.163 1.00 0.00 H new ATOM 0 HB2 GLU A 4 62.058 12.613 1.496 1.00 0.00 H new ATOM 0 HB3 GLU A 4 61.987 13.465 -0.034 1.00 0.00 H new ATOM 0 HG2 GLU A 4 60.941 10.765 -0.391 1.00 0.00 H new ATOM 0 HG3 GLU A 4 60.129 11.523 0.965 1.00 0.00 H new ATOM 59 N VAL A 5 64.306 13.271 -1.533 1.00 0.00 N ATOM 60 CA VAL A 5 64.764 13.792 -2.850 1.00 0.00 C ATOM 61 C VAL A 5 65.743 12.805 -3.488 1.00 0.00 C ATOM 62 O VAL A 5 65.575 12.396 -4.619 1.00 0.00 O ATOM 63 CB VAL A 5 65.455 15.124 -2.539 1.00 0.00 C ATOM 64 CG1 VAL A 5 66.430 15.481 -3.665 1.00 0.00 C ATOM 65 CG2 VAL A 5 64.399 16.225 -2.422 1.00 0.00 C ATOM 0 H VAL A 5 64.561 13.842 -0.727 1.00 0.00 H new ATOM 0 HA VAL A 5 63.942 13.924 -3.554 1.00 0.00 H new ATOM 0 HB VAL A 5 66.004 15.033 -1.602 1.00 0.00 H new ATOM 0 HG11 VAL A 5 66.918 16.429 -3.437 1.00 0.00 H new ATOM 0 HG12 VAL A 5 67.183 14.698 -3.756 1.00 0.00 H new ATOM 0 HG13 VAL A 5 65.884 15.570 -4.604 1.00 0.00 H new ATOM 0 HG21 VAL A 5 64.886 17.175 -2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 5 63.854 16.307 -3.362 1.00 0.00 H new ATOM 0 HG23 VAL A 5 63.704 15.978 -1.620 1.00 0.00 H new ATOM 75 N LEU A 6 66.760 12.416 -2.774 1.00 0.00 N ATOM 76 CA LEU A 6 67.738 11.455 -3.354 1.00 0.00 C ATOM 77 C LEU A 6 67.032 10.139 -3.685 1.00 0.00 C ATOM 78 O LEU A 6 67.351 9.474 -4.649 1.00 0.00 O ATOM 79 CB LEU A 6 68.814 11.259 -2.274 1.00 0.00 C ATOM 80 CG LEU A 6 68.348 10.239 -1.233 1.00 0.00 C ATOM 81 CD1 LEU A 6 68.585 8.823 -1.760 1.00 0.00 C ATOM 82 CD2 LEU A 6 69.140 10.435 0.061 1.00 0.00 C ATOM 0 H LEU A 6 66.956 12.719 -1.820 1.00 0.00 H new ATOM 0 HA LEU A 6 68.181 11.818 -4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 6 69.742 10.920 -2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 6 69.028 12.211 -1.789 1.00 0.00 H new ATOM 0 HG LEU A 6 67.285 10.382 -1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 6 68.253 8.098 -1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 6 68.024 8.680 -2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 6 69.648 8.681 -1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 6 68.809 9.709 0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 6 70.202 10.293 -0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 6 68.974 11.443 0.440 1.00 0.00 H new ATOM 94 N ALA A 7 66.060 9.769 -2.898 1.00 0.00 N ATOM 95 CA ALA A 7 65.324 8.504 -3.172 1.00 0.00 C ATOM 96 C ALA A 7 64.501 8.654 -4.453 1.00 0.00 C ATOM 97 O ALA A 7 64.143 7.685 -5.090 1.00 0.00 O ATOM 98 CB ALA A 7 64.411 8.305 -1.962 1.00 0.00 C ATOM 0 H ALA A 7 65.744 10.287 -2.078 1.00 0.00 H new ATOM 0 HA ALA A 7 65.991 7.654 -3.316 1.00 0.00 H new ATOM 0 HB1 ALA A 7 63.833 7.390 -2.089 1.00 0.00 H new ATOM 0 HB2 ALA A 7 65.016 8.230 -1.058 1.00 0.00 H new ATOM 0 HB3 ALA A 7 63.732 9.153 -1.875 1.00 0.00 H new ATOM 104 N LYS A 8 64.200 9.866 -4.836 1.00 0.00 N ATOM 105 CA LYS A 8 63.403 10.080 -6.077 1.00 0.00 C ATOM 106 C LYS A 8 64.297 9.954 -7.314 1.00 0.00 C ATOM 107 O LYS A 8 63.977 9.249 -8.251 1.00 0.00 O ATOM 108 CB LYS A 8 62.853 11.503 -5.958 1.00 0.00 C ATOM 109 CG LYS A 8 61.349 11.447 -5.682 1.00 0.00 C ATOM 110 CD LYS A 8 60.650 12.587 -6.426 1.00 0.00 C ATOM 111 CE LYS A 8 59.919 12.026 -7.648 1.00 0.00 C ATOM 112 NZ LYS A 8 60.920 12.074 -8.750 1.00 0.00 N ATOM 0 H LYS A 8 64.472 10.716 -4.343 1.00 0.00 H new ATOM 0 HA LYS A 8 62.608 9.342 -6.185 1.00 0.00 H new ATOM 0 HB2 LYS A 8 63.362 12.035 -5.154 1.00 0.00 H new ATOM 0 HB3 LYS A 8 63.045 12.056 -6.877 1.00 0.00 H new ATOM 0 HG2 LYS A 8 60.945 10.487 -6.004 1.00 0.00 H new ATOM 0 HG3 LYS A 8 61.162 11.529 -4.611 1.00 0.00 H new ATOM 0 HD2 LYS A 8 59.943 13.088 -5.764 1.00 0.00 H new ATOM 0 HD3 LYS A 8 61.380 13.334 -6.737 1.00 0.00 H new ATOM 0 HE2 LYS A 8 59.576 11.007 -7.470 1.00 0.00 H new ATOM 0 HE3 LYS A 8 59.038 12.621 -7.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 60.488 11.721 -9.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 61.235 13.055 -8.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 61.737 11.480 -8.503 1.00 0.00 H new ATOM 126 N ASN A 9 65.412 10.633 -7.330 1.00 0.00 N ATOM 127 CA ASN A 9 66.314 10.546 -8.517 1.00 0.00 C ATOM 128 C ASN A 9 66.876 9.129 -8.660 1.00 0.00 C ATOM 129 O ASN A 9 67.263 8.714 -9.735 1.00 0.00 O ATOM 130 CB ASN A 9 67.441 11.543 -8.246 1.00 0.00 C ATOM 131 CG ASN A 9 66.850 12.847 -7.716 1.00 0.00 C ATOM 132 OD1 ASN A 9 66.965 13.131 -6.450 1.00 0.00 O flip ATOM 133 ND2 ASN A 9 66.281 13.618 -8.463 1.00 0.00 N flip ATOM 0 H ASN A 9 65.737 11.241 -6.578 1.00 0.00 H new ATOM 0 HA ASN A 9 65.787 10.773 -9.444 1.00 0.00 H new ATOM 0 HB2 ASN A 9 68.142 11.128 -7.522 1.00 0.00 H new ATOM 0 HB3 ASN A 9 68.002 11.731 -9.161 1.00 0.00 H new ATOM 0 HD21 ASN A 9 66.191 13.395 -9.454 1.00 0.00 H new ATOM 0 HD22 ASN A 9 65.893 14.488 -8.099 1.00 0.00 H new ATOM 140 N LYS A 10 66.923 8.379 -7.591 1.00 0.00 N ATOM 141 CA LYS A 10 67.459 6.993 -7.683 1.00 0.00 C ATOM 142 C LYS A 10 66.353 6.039 -8.135 1.00 0.00 C ATOM 143 O LYS A 10 66.604 4.907 -8.496 1.00 0.00 O ATOM 144 CB LYS A 10 67.924 6.656 -6.268 1.00 0.00 C ATOM 145 CG LYS A 10 69.014 7.643 -5.846 1.00 0.00 C ATOM 146 CD LYS A 10 70.280 7.383 -6.661 1.00 0.00 C ATOM 147 CE LYS A 10 71.397 8.319 -6.185 1.00 0.00 C ATOM 148 NZ LYS A 10 71.517 9.366 -7.242 1.00 0.00 N ATOM 0 H LYS A 10 66.614 8.666 -6.662 1.00 0.00 H new ATOM 0 HA LYS A 10 68.271 6.903 -8.405 1.00 0.00 H new ATOM 0 HB2 LYS A 10 67.084 6.706 -5.575 1.00 0.00 H new ATOM 0 HB3 LYS A 10 68.307 5.636 -6.232 1.00 0.00 H new ATOM 0 HG2 LYS A 10 68.673 8.666 -6.001 1.00 0.00 H new ATOM 0 HG3 LYS A 10 69.225 7.535 -4.782 1.00 0.00 H new ATOM 0 HD2 LYS A 10 70.590 6.344 -6.550 1.00 0.00 H new ATOM 0 HD3 LYS A 10 70.083 7.545 -7.721 1.00 0.00 H new ATOM 0 HE2 LYS A 10 71.153 8.762 -5.220 1.00 0.00 H new ATOM 0 HE3 LYS A 10 72.335 7.778 -6.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 72.264 10.040 -6.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 71.758 8.918 -8.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 70.612 9.871 -7.335 1.00 0.00 H new ATOM 162 N GLY A 11 65.130 6.492 -8.120 1.00 0.00 N ATOM 163 CA GLY A 11 64.005 5.617 -8.551 1.00 0.00 C ATOM 164 C GLY A 11 63.537 4.762 -7.374 1.00 0.00 C ATOM 165 O GLY A 11 62.816 3.799 -7.545 1.00 0.00 O ATOM 0 H GLY A 11 64.861 7.431 -7.827 1.00 0.00 H new ATOM 0 HA2 GLY A 11 63.180 6.225 -8.922 1.00 0.00 H new ATOM 0 HA3 GLY A 11 64.324 4.977 -9.374 1.00 0.00 H new ATOM 169 N CYS A 12 63.940 5.099 -6.177 1.00 0.00 N ATOM 170 CA CYS A 12 63.507 4.289 -5.003 1.00 0.00 C ATOM 171 C CYS A 12 61.991 4.397 -4.811 1.00 0.00 C ATOM 172 O CYS A 12 61.347 3.475 -4.350 1.00 0.00 O ATOM 173 CB CYS A 12 64.232 4.888 -3.797 1.00 0.00 C ATOM 174 SG CYS A 12 66.023 4.920 -4.075 1.00 0.00 S ATOM 0 H CYS A 12 64.544 5.892 -5.963 1.00 0.00 H new ATOM 0 HA CYS A 12 63.743 3.233 -5.136 1.00 0.00 H new ATOM 0 HB2 CYS A 12 63.869 5.900 -3.614 1.00 0.00 H new ATOM 0 HB3 CYS A 12 64.008 4.303 -2.905 1.00 0.00 H new ATOM 179 N MET A 13 61.420 5.515 -5.154 1.00 0.00 N ATOM 180 CA MET A 13 59.949 5.688 -4.986 1.00 0.00 C ATOM 181 C MET A 13 59.211 5.199 -6.234 1.00 0.00 C ATOM 182 O MET A 13 58.017 5.376 -6.370 1.00 0.00 O ATOM 183 CB MET A 13 59.752 7.193 -4.804 1.00 0.00 C ATOM 184 CG MET A 13 60.232 7.605 -3.411 1.00 0.00 C ATOM 185 SD MET A 13 59.201 8.958 -2.793 1.00 0.00 S ATOM 186 CE MET A 13 58.008 7.940 -1.890 1.00 0.00 C ATOM 0 H MET A 13 61.909 6.320 -5.545 1.00 0.00 H new ATOM 0 HA MET A 13 59.558 5.117 -4.144 1.00 0.00 H new ATOM 0 HB2 MET A 13 60.307 7.738 -5.568 1.00 0.00 H new ATOM 0 HB3 MET A 13 58.700 7.451 -4.929 1.00 0.00 H new ATOM 0 HG2 MET A 13 60.181 6.755 -2.731 1.00 0.00 H new ATOM 0 HG3 MET A 13 61.275 7.918 -3.452 1.00 0.00 H new ATOM 0 HE1 MET A 13 56.997 8.196 -2.207 1.00 0.00 H new ATOM 0 HE2 MET A 13 58.198 6.887 -2.098 1.00 0.00 H new ATOM 0 HE3 MET A 13 58.110 8.123 -0.820 1.00 0.00 H new ATOM 196 N ALA A 14 59.913 4.588 -7.149 1.00 0.00 N ATOM 197 CA ALA A 14 59.252 4.092 -8.389 1.00 0.00 C ATOM 198 C ALA A 14 58.547 2.761 -8.126 1.00 0.00 C ATOM 199 O ALA A 14 57.427 2.544 -8.543 1.00 0.00 O ATOM 200 CB ALA A 14 60.388 3.906 -9.395 1.00 0.00 C ATOM 0 H ALA A 14 60.916 4.411 -7.091 1.00 0.00 H new ATOM 0 HA ALA A 14 58.491 4.783 -8.752 1.00 0.00 H new ATOM 0 HB1 ALA A 14 59.982 3.541 -10.339 1.00 0.00 H new ATOM 0 HB2 ALA A 14 60.888 4.860 -9.560 1.00 0.00 H new ATOM 0 HB3 ALA A 14 61.105 3.184 -9.005 1.00 0.00 H new ATOM 206 N CYS A 15 59.199 1.865 -7.444 1.00 0.00 N ATOM 207 CA CYS A 15 58.579 0.543 -7.158 1.00 0.00 C ATOM 208 C CYS A 15 58.072 0.479 -5.717 1.00 0.00 C ATOM 209 O CYS A 15 57.295 -0.386 -5.364 1.00 0.00 O ATOM 210 CB CYS A 15 59.713 -0.464 -7.329 1.00 0.00 C ATOM 211 SG CYS A 15 60.321 -0.445 -9.034 1.00 0.00 S ATOM 0 H CYS A 15 60.140 1.991 -7.070 1.00 0.00 H new ATOM 0 HA CYS A 15 57.729 0.351 -7.813 1.00 0.00 H new ATOM 0 HB2 CYS A 15 60.526 -0.226 -6.643 1.00 0.00 H new ATOM 0 HB3 CYS A 15 59.362 -1.464 -7.072 1.00 0.00 H new ATOM 216 N HIS A 16 58.529 1.357 -4.868 1.00 0.00 N ATOM 217 CA HIS A 16 58.092 1.295 -3.444 1.00 0.00 C ATOM 218 C HIS A 16 56.886 2.197 -3.165 1.00 0.00 C ATOM 219 O HIS A 16 56.509 3.034 -3.960 1.00 0.00 O ATOM 220 CB HIS A 16 59.302 1.775 -2.643 1.00 0.00 C ATOM 221 CG HIS A 16 60.174 0.603 -2.289 1.00 0.00 C ATOM 222 ND1 HIS A 16 59.667 -0.544 -1.699 1.00 0.00 N ATOM 223 CD2 HIS A 16 61.522 0.388 -2.430 1.00 0.00 C ATOM 224 CE1 HIS A 16 60.696 -1.389 -1.507 1.00 0.00 C ATOM 225 NE2 HIS A 16 61.850 -0.869 -1.934 1.00 0.00 N ATOM 0 H HIS A 16 59.180 2.109 -5.095 1.00 0.00 H new ATOM 0 HA HIS A 16 57.775 0.287 -3.178 1.00 0.00 H new ATOM 0 HB2 HIS A 16 59.870 2.501 -3.225 1.00 0.00 H new ATOM 0 HB3 HIS A 16 58.972 2.282 -1.736 1.00 0.00 H new ATOM 0 HD1 HIS A 16 58.692 -0.716 -1.455 1.00 0.00 H new ATOM 0 HD2 HIS A 16 62.222 1.089 -2.861 1.00 0.00 H new ATOM 0 HE1 HIS A 16 60.601 -2.368 -1.062 1.00 0.00 H new ATOM 233 N ALA A 17 56.296 2.023 -2.012 1.00 0.00 N ATOM 234 CA ALA A 17 55.122 2.847 -1.609 1.00 0.00 C ATOM 235 C ALA A 17 55.148 3.026 -0.088 1.00 0.00 C ATOM 236 O ALA A 17 55.094 2.068 0.652 1.00 0.00 O ATOM 237 CB ALA A 17 53.898 2.036 -2.036 1.00 0.00 C ATOM 0 H ALA A 17 56.585 1.331 -1.321 1.00 0.00 H new ATOM 0 HA ALA A 17 55.117 3.838 -2.063 1.00 0.00 H new ATOM 0 HB1 ALA A 17 52.991 2.580 -1.772 1.00 0.00 H new ATOM 0 HB2 ALA A 17 53.925 1.877 -3.114 1.00 0.00 H new ATOM 0 HB3 ALA A 17 53.905 1.072 -1.527 1.00 0.00 H new ATOM 243 N ILE A 18 55.247 4.242 0.379 1.00 0.00 N ATOM 244 CA ILE A 18 55.302 4.484 1.852 1.00 0.00 C ATOM 245 C ILE A 18 54.356 3.536 2.598 1.00 0.00 C ATOM 246 O ILE A 18 54.579 3.201 3.743 1.00 0.00 O ATOM 247 CB ILE A 18 54.866 5.942 2.033 1.00 0.00 C ATOM 248 CG1 ILE A 18 55.882 6.866 1.355 1.00 0.00 C ATOM 249 CG2 ILE A 18 54.800 6.273 3.525 1.00 0.00 C ATOM 250 CD1 ILE A 18 55.234 7.550 0.150 1.00 0.00 C ATOM 0 H ILE A 18 55.292 5.082 -0.198 1.00 0.00 H new ATOM 0 HA ILE A 18 56.298 4.303 2.257 1.00 0.00 H new ATOM 0 HB ILE A 18 53.884 6.085 1.583 1.00 0.00 H new ATOM 0 HG12 ILE A 18 56.236 7.615 2.063 1.00 0.00 H new ATOM 0 HG13 ILE A 18 56.752 6.293 1.035 1.00 0.00 H new ATOM 0 HG21 ILE A 18 54.490 7.310 3.654 1.00 0.00 H new ATOM 0 HG22 ILE A 18 54.080 5.616 4.012 1.00 0.00 H new ATOM 0 HG23 ILE A 18 55.783 6.130 3.973 1.00 0.00 H new ATOM 0 HD11 ILE A 18 55.960 8.207 -0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 18 54.902 6.795 -0.562 1.00 0.00 H new ATOM 0 HD13 ILE A 18 54.378 8.137 0.482 1.00 0.00 H new ATOM 262 N ASP A 19 53.308 3.094 1.960 1.00 0.00 N ATOM 263 CA ASP A 19 52.363 2.160 2.645 1.00 0.00 C ATOM 264 C ASP A 19 51.728 1.201 1.634 1.00 0.00 C ATOM 265 O ASP A 19 51.488 0.047 1.928 1.00 0.00 O ATOM 266 CB ASP A 19 51.299 3.056 3.279 1.00 0.00 C ATOM 267 CG ASP A 19 50.717 3.991 2.219 1.00 0.00 C ATOM 268 OD1 ASP A 19 51.450 4.837 1.736 1.00 0.00 O ATOM 269 OD2 ASP A 19 49.545 3.846 1.909 1.00 0.00 O ATOM 0 H ASP A 19 53.064 3.336 1.000 1.00 0.00 H new ATOM 0 HA ASP A 19 52.868 1.543 3.388 1.00 0.00 H new ATOM 0 HB2 ASP A 19 50.508 2.446 3.714 1.00 0.00 H new ATOM 0 HB3 ASP A 19 51.736 3.638 4.091 1.00 0.00 H new ATOM 274 N THR A 20 51.458 1.666 0.448 1.00 0.00 N ATOM 275 CA THR A 20 50.842 0.771 -0.576 1.00 0.00 C ATOM 276 C THR A 20 51.858 -0.288 -1.011 1.00 0.00 C ATOM 277 O THR A 20 52.970 -0.326 -0.526 1.00 0.00 O ATOM 278 CB THR A 20 50.481 1.685 -1.751 1.00 0.00 C ATOM 279 OG1 THR A 20 51.420 2.747 -1.835 1.00 0.00 O ATOM 280 CG2 THR A 20 49.077 2.256 -1.546 1.00 0.00 C ATOM 0 H THR A 20 51.635 2.623 0.141 1.00 0.00 H new ATOM 0 HA THR A 20 49.966 0.246 -0.195 1.00 0.00 H new ATOM 0 HB THR A 20 50.504 1.109 -2.676 1.00 0.00 H new ATOM 0 HG1 THR A 20 51.609 2.943 -2.776 1.00 0.00 H new ATOM 0 HG21 THR A 20 48.823 2.906 -2.383 1.00 0.00 H new ATOM 0 HG22 THR A 20 48.357 1.440 -1.489 1.00 0.00 H new ATOM 0 HG23 THR A 20 49.049 2.830 -0.620 1.00 0.00 H new ATOM 288 N LYS A 21 51.489 -1.150 -1.917 1.00 0.00 N ATOM 289 CA LYS A 21 52.444 -2.200 -2.368 1.00 0.00 C ATOM 290 C LYS A 21 52.518 -2.232 -3.896 1.00 0.00 C ATOM 291 O LYS A 21 51.788 -2.951 -4.549 1.00 0.00 O ATOM 292 CB LYS A 21 51.876 -3.512 -1.827 1.00 0.00 C ATOM 293 CG LYS A 21 52.797 -4.669 -2.221 1.00 0.00 C ATOM 294 CD LYS A 21 51.967 -5.940 -2.411 1.00 0.00 C ATOM 295 CE LYS A 21 52.605 -7.087 -1.626 1.00 0.00 C ATOM 296 NZ LYS A 21 51.514 -8.085 -1.449 1.00 0.00 N ATOM 0 H LYS A 21 50.572 -1.173 -2.363 1.00 0.00 H new ATOM 0 HA LYS A 21 53.457 -2.017 -2.009 1.00 0.00 H new ATOM 0 HB2 LYS A 21 51.783 -3.460 -0.742 1.00 0.00 H new ATOM 0 HB3 LYS A 21 50.875 -3.679 -2.225 1.00 0.00 H new ATOM 0 HG2 LYS A 21 53.328 -4.428 -3.142 1.00 0.00 H new ATOM 0 HG3 LYS A 21 53.551 -4.826 -1.450 1.00 0.00 H new ATOM 0 HD2 LYS A 21 50.945 -5.775 -2.069 1.00 0.00 H new ATOM 0 HD3 LYS A 21 51.911 -6.196 -3.469 1.00 0.00 H new ATOM 0 HE2 LYS A 21 53.448 -7.516 -2.168 1.00 0.00 H new ATOM 0 HE3 LYS A 21 52.986 -6.743 -0.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 51.875 -8.903 -0.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 50.728 -7.651 -0.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 51.176 -8.399 -2.381 1.00 0.00 H new ATOM 310 N MET A 22 53.397 -1.457 -4.471 1.00 0.00 N ATOM 311 CA MET A 22 53.522 -1.441 -5.957 1.00 0.00 C ATOM 312 C MET A 22 54.322 -2.663 -6.430 1.00 0.00 C ATOM 313 O MET A 22 53.801 -3.758 -6.509 1.00 0.00 O ATOM 314 CB MET A 22 54.259 -0.139 -6.271 1.00 0.00 C ATOM 315 CG MET A 22 53.238 0.984 -6.469 1.00 0.00 C ATOM 316 SD MET A 22 53.657 2.378 -5.394 1.00 0.00 S ATOM 317 CE MET A 22 54.571 3.343 -6.620 1.00 0.00 C ATOM 0 H MET A 22 54.035 -0.834 -3.976 1.00 0.00 H new ATOM 0 HA MET A 22 52.558 -1.488 -6.463 1.00 0.00 H new ATOM 0 HB2 MET A 22 54.940 0.112 -5.458 1.00 0.00 H new ATOM 0 HB3 MET A 22 54.865 -0.258 -7.169 1.00 0.00 H new ATOM 0 HG2 MET A 22 53.231 1.304 -7.511 1.00 0.00 H new ATOM 0 HG3 MET A 22 52.235 0.623 -6.240 1.00 0.00 H new ATOM 0 HE1 MET A 22 55.019 4.212 -6.138 1.00 0.00 H new ATOM 0 HE2 MET A 22 55.356 2.726 -7.057 1.00 0.00 H new ATOM 0 HE3 MET A 22 53.890 3.674 -7.404 1.00 0.00 H new ATOM 327 N VAL A 23 55.580 -2.493 -6.739 1.00 0.00 N ATOM 328 CA VAL A 23 56.395 -3.653 -7.193 1.00 0.00 C ATOM 329 C VAL A 23 57.197 -4.203 -6.013 1.00 0.00 C ATOM 330 O VAL A 23 57.554 -5.365 -5.973 1.00 0.00 O ATOM 331 CB VAL A 23 57.326 -3.092 -8.270 1.00 0.00 C ATOM 332 CG1 VAL A 23 58.353 -4.154 -8.667 1.00 0.00 C ATOM 333 CG2 VAL A 23 56.502 -2.701 -9.501 1.00 0.00 C ATOM 0 H VAL A 23 56.076 -1.603 -6.696 1.00 0.00 H new ATOM 0 HA VAL A 23 55.787 -4.470 -7.581 1.00 0.00 H new ATOM 0 HB VAL A 23 57.843 -2.215 -7.879 1.00 0.00 H new ATOM 0 HG11 VAL A 23 59.015 -3.752 -9.434 1.00 0.00 H new ATOM 0 HG12 VAL A 23 58.940 -4.437 -7.793 1.00 0.00 H new ATOM 0 HG13 VAL A 23 57.837 -5.031 -9.057 1.00 0.00 H new ATOM 0 HG21 VAL A 23 57.163 -2.301 -10.270 1.00 0.00 H new ATOM 0 HG22 VAL A 23 55.986 -3.580 -9.888 1.00 0.00 H new ATOM 0 HG23 VAL A 23 55.769 -1.943 -9.223 1.00 0.00 H new ATOM 343 N GLY A 24 57.472 -3.371 -5.045 1.00 0.00 N ATOM 344 CA GLY A 24 58.238 -3.827 -3.853 1.00 0.00 C ATOM 345 C GLY A 24 57.368 -3.648 -2.603 1.00 0.00 C ATOM 346 O GLY A 24 56.288 -3.096 -2.679 1.00 0.00 O ATOM 0 H GLY A 24 57.196 -2.389 -5.030 1.00 0.00 H new ATOM 0 HA2 GLY A 24 58.524 -4.873 -3.966 1.00 0.00 H new ATOM 0 HA3 GLY A 24 59.160 -3.253 -3.756 1.00 0.00 H new ATOM 350 N PRO A 25 57.861 -4.125 -1.489 1.00 0.00 N ATOM 351 CA PRO A 25 57.114 -4.024 -0.214 1.00 0.00 C ATOM 352 C PRO A 25 57.033 -2.567 0.248 1.00 0.00 C ATOM 353 O PRO A 25 58.017 -1.854 0.253 1.00 0.00 O ATOM 354 CB PRO A 25 57.976 -4.853 0.743 1.00 0.00 C ATOM 355 CG PRO A 25 59.192 -5.394 -0.033 1.00 0.00 C ATOM 356 CD PRO A 25 59.181 -4.788 -1.441 1.00 0.00 C ATOM 0 HA PRO A 25 56.083 -4.372 -0.281 1.00 0.00 H new ATOM 0 HB2 PRO A 25 58.305 -4.240 1.582 1.00 0.00 H new ATOM 0 HB3 PRO A 25 57.395 -5.677 1.158 1.00 0.00 H new ATOM 0 HG2 PRO A 25 60.116 -5.135 0.483 1.00 0.00 H new ATOM 0 HG3 PRO A 25 59.152 -6.482 -0.089 1.00 0.00 H new ATOM 0 HD2 PRO A 25 59.997 -4.080 -1.585 1.00 0.00 H new ATOM 0 HD3 PRO A 25 59.281 -5.551 -2.213 1.00 0.00 H new ATOM 364 N ALA A 26 55.874 -2.121 0.642 1.00 0.00 N ATOM 365 CA ALA A 26 55.745 -0.713 1.108 1.00 0.00 C ATOM 366 C ALA A 26 56.888 -0.383 2.070 1.00 0.00 C ATOM 367 O ALA A 26 57.407 -1.247 2.747 1.00 0.00 O ATOM 368 CB ALA A 26 54.400 -0.655 1.831 1.00 0.00 C ATOM 0 H ALA A 26 55.013 -2.668 0.662 1.00 0.00 H new ATOM 0 HA ALA A 26 55.793 0.005 0.289 1.00 0.00 H new ATOM 0 HB1 ALA A 26 54.231 0.355 2.205 1.00 0.00 H new ATOM 0 HB2 ALA A 26 53.603 -0.923 1.138 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.405 -1.355 2.666 1.00 0.00 H new ATOM 374 N TYR A 27 57.290 0.855 2.134 1.00 0.00 N ATOM 375 CA TYR A 27 58.401 1.228 3.052 1.00 0.00 C ATOM 376 C TYR A 27 58.007 0.933 4.502 1.00 0.00 C ATOM 377 O TYR A 27 58.594 0.092 5.155 1.00 0.00 O ATOM 378 CB TYR A 27 58.594 2.727 2.831 1.00 0.00 C ATOM 379 CG TYR A 27 59.358 2.954 1.548 1.00 0.00 C ATOM 380 CD1 TYR A 27 60.482 2.171 1.251 1.00 0.00 C ATOM 381 CD2 TYR A 27 58.943 3.950 0.657 1.00 0.00 C ATOM 382 CE1 TYR A 27 61.189 2.388 0.063 1.00 0.00 C ATOM 383 CE2 TYR A 27 59.650 4.165 -0.531 1.00 0.00 C ATOM 384 CZ TYR A 27 60.774 3.385 -0.829 1.00 0.00 C ATOM 385 OH TYR A 27 61.471 3.598 -1.999 1.00 0.00 O ATOM 0 H TYR A 27 56.898 1.624 1.591 1.00 0.00 H new ATOM 0 HA TYR A 27 59.315 0.667 2.859 1.00 0.00 H new ATOM 0 HB2 TYR A 27 57.626 3.226 2.783 1.00 0.00 H new ATOM 0 HB3 TYR A 27 59.136 3.162 3.671 1.00 0.00 H new ATOM 0 HD1 TYR A 27 60.802 1.401 1.938 1.00 0.00 H new ATOM 0 HD2 TYR A 27 58.077 4.553 0.886 1.00 0.00 H new ATOM 0 HE1 TYR A 27 62.056 1.786 -0.166 1.00 0.00 H new ATOM 0 HE2 TYR A 27 59.329 4.933 -1.219 1.00 0.00 H new ATOM 0 HH TYR A 27 60.862 3.943 -2.684 1.00 0.00 H new ATOM 395 N LYS A 28 57.012 1.607 5.011 1.00 0.00 N ATOM 396 CA LYS A 28 56.586 1.346 6.415 1.00 0.00 C ATOM 397 C LYS A 28 56.443 -0.159 6.633 1.00 0.00 C ATOM 398 O LYS A 28 56.909 -0.705 7.613 1.00 0.00 O ATOM 399 CB LYS A 28 55.233 2.041 6.560 1.00 0.00 C ATOM 400 CG LYS A 28 55.210 2.845 7.861 1.00 0.00 C ATOM 401 CD LYS A 28 53.830 2.725 8.511 1.00 0.00 C ATOM 402 CE LYS A 28 52.953 3.902 8.071 1.00 0.00 C ATOM 403 NZ LYS A 28 51.673 3.742 8.822 1.00 0.00 N ATOM 0 H LYS A 28 56.478 2.323 4.519 1.00 0.00 H new ATOM 0 HA LYS A 28 57.305 1.715 7.146 1.00 0.00 H new ATOM 0 HB2 LYS A 28 55.058 2.700 5.710 1.00 0.00 H new ATOM 0 HB3 LYS A 28 54.431 1.303 6.562 1.00 0.00 H new ATOM 0 HG2 LYS A 28 55.978 2.477 8.542 1.00 0.00 H new ATOM 0 HG3 LYS A 28 55.439 3.891 7.658 1.00 0.00 H new ATOM 0 HD2 LYS A 28 53.362 1.783 8.225 1.00 0.00 H new ATOM 0 HD3 LYS A 28 53.927 2.716 9.597 1.00 0.00 H new ATOM 0 HE2 LYS A 28 53.429 4.855 8.303 1.00 0.00 H new ATOM 0 HE3 LYS A 28 52.782 3.884 6.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 51.024 4.514 8.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 51.238 2.830 8.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 51.864 3.770 9.844 1.00 0.00 H new ATOM 417 N ASP A 29 55.805 -0.832 5.718 1.00 0.00 N ATOM 418 CA ASP A 29 55.633 -2.306 5.861 1.00 0.00 C ATOM 419 C ASP A 29 56.989 -2.973 6.126 1.00 0.00 C ATOM 420 O ASP A 29 57.127 -3.792 7.014 1.00 0.00 O ATOM 421 CB ASP A 29 55.062 -2.769 4.520 1.00 0.00 C ATOM 422 CG ASP A 29 53.535 -2.715 4.570 1.00 0.00 C ATOM 423 OD1 ASP A 29 52.958 -3.492 5.313 1.00 0.00 O ATOM 424 OD2 ASP A 29 52.967 -1.898 3.864 1.00 0.00 O ATOM 0 H ASP A 29 55.395 -0.426 4.877 1.00 0.00 H new ATOM 0 HA ASP A 29 54.981 -2.568 6.694 1.00 0.00 H new ATOM 0 HB2 ASP A 29 55.433 -2.133 3.716 1.00 0.00 H new ATOM 0 HB3 ASP A 29 55.394 -3.784 4.303 1.00 0.00 H new ATOM 429 N VAL A 30 57.992 -2.625 5.364 1.00 0.00 N ATOM 430 CA VAL A 30 59.337 -3.238 5.576 1.00 0.00 C ATOM 431 C VAL A 30 59.812 -2.975 7.006 1.00 0.00 C ATOM 432 O VAL A 30 60.481 -3.790 7.610 1.00 0.00 O ATOM 433 CB VAL A 30 60.255 -2.540 4.574 1.00 0.00 C ATOM 434 CG1 VAL A 30 61.679 -3.078 4.728 1.00 0.00 C ATOM 435 CG2 VAL A 30 59.757 -2.811 3.152 1.00 0.00 C ATOM 0 H VAL A 30 57.939 -1.945 4.606 1.00 0.00 H new ATOM 0 HA VAL A 30 59.326 -4.319 5.434 1.00 0.00 H new ATOM 0 HB VAL A 30 60.250 -1.466 4.762 1.00 0.00 H new ATOM 0 HG11 VAL A 30 62.335 -2.581 4.014 1.00 0.00 H new ATOM 0 HG12 VAL A 30 62.033 -2.886 5.741 1.00 0.00 H new ATOM 0 HG13 VAL A 30 61.685 -4.152 4.540 1.00 0.00 H new ATOM 0 HG21 VAL A 30 60.411 -2.313 2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 30 59.762 -3.884 2.963 1.00 0.00 H new ATOM 0 HG23 VAL A 30 58.742 -2.428 3.043 1.00 0.00 H new ATOM 445 N ALA A 31 59.471 -1.841 7.549 1.00 0.00 N ATOM 446 CA ALA A 31 59.900 -1.517 8.939 1.00 0.00 C ATOM 447 C ALA A 31 59.059 -2.297 9.953 1.00 0.00 C ATOM 448 O ALA A 31 59.492 -2.569 11.053 1.00 0.00 O ATOM 449 CB ALA A 31 59.656 -0.016 9.089 1.00 0.00 C ATOM 0 H ALA A 31 58.912 -1.122 7.090 1.00 0.00 H new ATOM 0 HA ALA A 31 60.941 -1.784 9.119 1.00 0.00 H new ATOM 0 HB1 ALA A 31 59.948 0.302 10.090 1.00 0.00 H new ATOM 0 HB2 ALA A 31 60.247 0.524 8.350 1.00 0.00 H new ATOM 0 HB3 ALA A 31 58.598 0.198 8.935 1.00 0.00 H new ATOM 455 N ALA A 32 57.858 -2.656 9.591 1.00 0.00 N ATOM 456 CA ALA A 32 56.991 -3.415 10.539 1.00 0.00 C ATOM 457 C ALA A 32 57.465 -4.867 10.645 1.00 0.00 C ATOM 458 O ALA A 32 57.284 -5.516 11.656 1.00 0.00 O ATOM 459 CB ALA A 32 55.591 -3.352 9.931 1.00 0.00 C ATOM 0 H ALA A 32 57.439 -2.458 8.682 1.00 0.00 H new ATOM 0 HA ALA A 32 57.018 -2.999 11.546 1.00 0.00 H new ATOM 0 HB1 ALA A 32 54.892 -3.889 10.571 1.00 0.00 H new ATOM 0 HB2 ALA A 32 55.278 -2.311 9.845 1.00 0.00 H new ATOM 0 HB3 ALA A 32 55.603 -3.810 8.942 1.00 0.00 H new ATOM 465 N LYS A 33 58.069 -5.380 9.610 1.00 0.00 N ATOM 466 CA LYS A 33 58.553 -6.790 9.649 1.00 0.00 C ATOM 467 C LYS A 33 59.946 -6.852 10.284 1.00 0.00 C ATOM 468 O LYS A 33 60.267 -7.773 11.009 1.00 0.00 O ATOM 469 CB LYS A 33 58.597 -7.228 8.180 1.00 0.00 C ATOM 470 CG LYS A 33 59.551 -8.416 8.009 1.00 0.00 C ATOM 471 CD LYS A 33 58.955 -9.654 8.682 1.00 0.00 C ATOM 472 CE LYS A 33 60.002 -10.771 8.718 1.00 0.00 C ATOM 473 NZ LYS A 33 60.485 -10.796 10.125 1.00 0.00 N ATOM 0 H LYS A 33 58.249 -4.884 8.737 1.00 0.00 H new ATOM 0 HA LYS A 33 57.911 -7.438 10.245 1.00 0.00 H new ATOM 0 HB2 LYS A 33 57.597 -7.504 7.845 1.00 0.00 H new ATOM 0 HB3 LYS A 33 58.924 -6.397 7.555 1.00 0.00 H new ATOM 0 HG2 LYS A 33 59.719 -8.611 6.950 1.00 0.00 H new ATOM 0 HG3 LYS A 33 60.521 -8.183 8.448 1.00 0.00 H new ATOM 0 HD2 LYS A 33 58.633 -9.411 9.694 1.00 0.00 H new ATOM 0 HD3 LYS A 33 58.071 -9.987 8.137 1.00 0.00 H new ATOM 0 HE2 LYS A 33 59.568 -11.729 8.432 1.00 0.00 H new ATOM 0 HE3 LYS A 33 60.818 -10.571 8.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 61.452 -11.179 10.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 60.484 -9.830 10.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 59.858 -11.397 10.697 1.00 0.00 H new ATOM 487 N TYR A 34 60.777 -5.881 10.016 1.00 0.00 N ATOM 488 CA TYR A 34 62.148 -5.889 10.606 1.00 0.00 C ATOM 489 C TYR A 34 62.196 -5.002 11.852 1.00 0.00 C ATOM 490 O TYR A 34 63.204 -4.915 12.524 1.00 0.00 O ATOM 491 CB TYR A 34 63.053 -5.326 9.510 1.00 0.00 C ATOM 492 CG TYR A 34 63.388 -6.420 8.525 1.00 0.00 C ATOM 493 CD1 TYR A 34 63.863 -7.654 8.985 1.00 0.00 C ATOM 494 CD2 TYR A 34 63.224 -6.201 7.152 1.00 0.00 C ATOM 495 CE1 TYR A 34 64.172 -8.670 8.073 1.00 0.00 C ATOM 496 CE2 TYR A 34 63.533 -7.217 6.239 1.00 0.00 C ATOM 497 CZ TYR A 34 64.007 -8.451 6.699 1.00 0.00 C ATOM 498 OH TYR A 34 64.313 -9.452 5.799 1.00 0.00 O ATOM 0 H TYR A 34 60.567 -5.084 9.415 1.00 0.00 H new ATOM 0 HA TYR A 34 62.457 -6.887 10.918 1.00 0.00 H new ATOM 0 HB2 TYR A 34 62.555 -4.502 8.999 1.00 0.00 H new ATOM 0 HB3 TYR A 34 63.966 -4.924 9.948 1.00 0.00 H new ATOM 0 HD1 TYR A 34 63.991 -7.822 10.044 1.00 0.00 H new ATOM 0 HD2 TYR A 34 62.859 -5.249 6.797 1.00 0.00 H new ATOM 0 HE1 TYR A 34 64.537 -9.622 8.428 1.00 0.00 H new ATOM 0 HE2 TYR A 34 63.406 -7.048 5.180 1.00 0.00 H new ATOM 0 HH TYR A 34 64.141 -9.136 4.887 1.00 0.00 H new ATOM 508 N ALA A 35 61.115 -4.343 12.167 1.00 0.00 N ATOM 509 CA ALA A 35 61.108 -3.465 13.374 1.00 0.00 C ATOM 510 C ALA A 35 61.617 -4.239 14.592 1.00 0.00 C ATOM 511 O ALA A 35 60.855 -4.860 15.306 1.00 0.00 O ATOM 512 CB ALA A 35 59.646 -3.065 13.566 1.00 0.00 C ATOM 0 H ALA A 35 60.240 -4.373 11.644 1.00 0.00 H new ATOM 0 HA ALA A 35 61.755 -2.596 13.256 1.00 0.00 H new ATOM 0 HB1 ALA A 35 59.558 -2.416 14.437 1.00 0.00 H new ATOM 0 HB2 ALA A 35 59.295 -2.534 12.681 1.00 0.00 H new ATOM 0 HB3 ALA A 35 59.041 -3.959 13.716 1.00 0.00 H new ATOM 518 N GLY A 36 62.899 -4.207 14.837 1.00 0.00 N ATOM 519 CA GLY A 36 63.450 -4.943 16.011 1.00 0.00 C ATOM 520 C GLY A 36 64.648 -5.785 15.573 1.00 0.00 C ATOM 521 O GLY A 36 64.592 -6.999 15.552 1.00 0.00 O ATOM 0 H GLY A 36 63.587 -3.704 14.277 1.00 0.00 H new ATOM 0 HA2 GLY A 36 63.752 -4.238 16.786 1.00 0.00 H new ATOM 0 HA3 GLY A 36 62.682 -5.583 16.445 1.00 0.00 H new ATOM 525 N GLN A 37 65.735 -5.152 15.224 1.00 0.00 N ATOM 526 CA GLN A 37 66.936 -5.921 14.789 1.00 0.00 C ATOM 527 C GLN A 37 68.214 -5.217 15.255 1.00 0.00 C ATOM 528 O GLN A 37 68.257 -4.010 15.385 1.00 0.00 O ATOM 529 CB GLN A 37 66.861 -5.943 13.262 1.00 0.00 C ATOM 530 CG GLN A 37 66.187 -7.238 12.804 1.00 0.00 C ATOM 531 CD GLN A 37 67.056 -7.923 11.747 1.00 0.00 C ATOM 532 OE1 GLN A 37 68.028 -8.576 12.074 1.00 0.00 O ATOM 533 NE2 GLN A 37 66.745 -7.800 10.487 1.00 0.00 N ATOM 0 H GLN A 37 65.843 -4.138 15.221 1.00 0.00 H new ATOM 0 HA GLN A 37 66.957 -6.926 15.210 1.00 0.00 H new ATOM 0 HB2 GLN A 37 66.299 -5.081 12.902 1.00 0.00 H new ATOM 0 HB3 GLN A 37 67.862 -5.871 12.837 1.00 0.00 H new ATOM 0 HG2 GLN A 37 66.039 -7.903 13.655 1.00 0.00 H new ATOM 0 HG3 GLN A 37 65.201 -7.021 12.394 1.00 0.00 H new ATOM 0 HE21 GLN A 37 65.929 -7.252 10.214 1.00 0.00 H new ATOM 0 HE22 GLN A 37 67.317 -8.252 9.774 1.00 0.00 H new ATOM 542 N ALA A 38 69.254 -5.965 15.512 1.00 0.00 N ATOM 543 CA ALA A 38 70.526 -5.341 15.970 1.00 0.00 C ATOM 544 C ALA A 38 71.410 -4.991 14.769 1.00 0.00 C ATOM 545 O ALA A 38 72.614 -5.151 14.806 1.00 0.00 O ATOM 546 CB ALA A 38 71.199 -6.405 16.839 1.00 0.00 C ATOM 0 H ALA A 38 69.276 -6.981 15.424 1.00 0.00 H new ATOM 0 HA ALA A 38 70.356 -4.414 16.518 1.00 0.00 H new ATOM 0 HB1 ALA A 38 72.147 -6.021 17.216 1.00 0.00 H new ATOM 0 HB2 ALA A 38 70.549 -6.654 17.678 1.00 0.00 H new ATOM 0 HB3 ALA A 38 71.382 -7.299 16.243 1.00 0.00 H new ATOM 552 N GLY A 39 70.823 -4.512 13.706 1.00 0.00 N ATOM 553 CA GLY A 39 71.633 -4.153 12.509 1.00 0.00 C ATOM 554 C GLY A 39 70.807 -4.378 11.242 1.00 0.00 C ATOM 555 O GLY A 39 71.249 -5.015 10.306 1.00 0.00 O ATOM 0 H GLY A 39 69.819 -4.354 13.615 1.00 0.00 H new ATOM 0 HA2 GLY A 39 71.947 -3.111 12.570 1.00 0.00 H new ATOM 0 HA3 GLY A 39 72.539 -4.758 12.476 1.00 0.00 H new ATOM 559 N ALA A 40 69.609 -3.862 11.203 1.00 0.00 N ATOM 560 CA ALA A 40 68.756 -4.051 9.996 1.00 0.00 C ATOM 561 C ALA A 40 69.080 -2.989 8.944 1.00 0.00 C ATOM 562 O ALA A 40 69.171 -3.275 7.768 1.00 0.00 O ATOM 563 CB ALA A 40 67.319 -3.894 10.496 1.00 0.00 C ATOM 0 H ALA A 40 69.184 -3.318 11.954 1.00 0.00 H new ATOM 0 HA ALA A 40 68.919 -5.020 9.525 1.00 0.00 H new ATOM 0 HB1 ALA A 40 66.628 -4.020 9.663 1.00 0.00 H new ATOM 0 HB2 ALA A 40 67.113 -4.649 11.255 1.00 0.00 H new ATOM 0 HB3 ALA A 40 67.190 -2.901 10.927 1.00 0.00 H new ATOM 569 N GLU A 41 69.254 -1.767 9.360 1.00 0.00 N ATOM 570 CA GLU A 41 69.575 -0.686 8.382 1.00 0.00 C ATOM 571 C GLU A 41 70.878 -1.015 7.650 1.00 0.00 C ATOM 572 O GLU A 41 71.014 -0.774 6.469 1.00 0.00 O ATOM 573 CB GLU A 41 69.732 0.582 9.225 1.00 0.00 C ATOM 574 CG GLU A 41 68.537 0.717 10.174 1.00 0.00 C ATOM 575 CD GLU A 41 68.977 0.387 11.601 1.00 0.00 C ATOM 576 OE1 GLU A 41 70.002 -0.256 11.750 1.00 0.00 O ATOM 577 OE2 GLU A 41 68.281 0.784 12.520 1.00 0.00 O ATOM 0 H GLU A 41 69.188 -1.468 10.333 1.00 0.00 H new ATOM 0 HA GLU A 41 68.803 -0.570 7.622 1.00 0.00 H new ATOM 0 HB2 GLU A 41 70.660 0.539 9.796 1.00 0.00 H new ATOM 0 HB3 GLU A 41 69.796 1.456 8.577 1.00 0.00 H new ATOM 0 HG2 GLU A 41 68.138 1.730 10.131 1.00 0.00 H new ATOM 0 HG3 GLU A 41 67.736 0.045 9.865 1.00 0.00 H new ATOM 584 N ALA A 42 71.837 -1.572 8.339 1.00 0.00 N ATOM 585 CA ALA A 42 73.121 -1.923 7.668 1.00 0.00 C ATOM 586 C ALA A 42 72.852 -2.919 6.540 1.00 0.00 C ATOM 587 O ALA A 42 73.313 -2.756 5.427 1.00 0.00 O ATOM 588 CB ALA A 42 73.981 -2.561 8.758 1.00 0.00 C ATOM 0 H ALA A 42 71.788 -1.798 9.332 1.00 0.00 H new ATOM 0 HA ALA A 42 73.614 -1.057 7.226 1.00 0.00 H new ATOM 0 HB1 ALA A 42 74.946 -2.847 8.339 1.00 0.00 H new ATOM 0 HB2 ALA A 42 74.134 -1.846 9.566 1.00 0.00 H new ATOM 0 HB3 ALA A 42 73.478 -3.446 9.147 1.00 0.00 H new ATOM 594 N TYR A 43 72.096 -3.947 6.818 1.00 0.00 N ATOM 595 CA TYR A 43 71.782 -4.951 5.761 1.00 0.00 C ATOM 596 C TYR A 43 70.836 -4.327 4.741 1.00 0.00 C ATOM 597 O TYR A 43 70.735 -4.772 3.616 1.00 0.00 O ATOM 598 CB TYR A 43 71.109 -6.105 6.509 1.00 0.00 C ATOM 599 CG TYR A 43 70.965 -7.302 5.600 1.00 0.00 C ATOM 600 CD1 TYR A 43 72.094 -7.869 4.999 1.00 0.00 C ATOM 601 CD2 TYR A 43 69.697 -7.850 5.366 1.00 0.00 C ATOM 602 CE1 TYR A 43 71.957 -8.984 4.162 1.00 0.00 C ATOM 603 CE2 TYR A 43 69.560 -8.965 4.531 1.00 0.00 C ATOM 604 CZ TYR A 43 70.689 -9.531 3.929 1.00 0.00 C ATOM 605 OH TYR A 43 70.552 -10.630 3.106 1.00 0.00 O ATOM 0 H TYR A 43 71.682 -4.135 7.731 1.00 0.00 H new ATOM 0 HA TYR A 43 72.661 -5.291 5.214 1.00 0.00 H new ATOM 0 HB2 TYR A 43 71.699 -6.373 7.385 1.00 0.00 H new ATOM 0 HB3 TYR A 43 70.129 -5.792 6.869 1.00 0.00 H new ATOM 0 HD1 TYR A 43 73.071 -7.447 5.180 1.00 0.00 H new ATOM 0 HD2 TYR A 43 68.825 -7.412 5.830 1.00 0.00 H new ATOM 0 HE1 TYR A 43 72.828 -9.421 3.697 1.00 0.00 H new ATOM 0 HE2 TYR A 43 68.583 -9.388 4.351 1.00 0.00 H new ATOM 0 HH TYR A 43 69.607 -10.883 3.053 1.00 0.00 H new ATOM 615 N LEU A 44 70.165 -3.278 5.121 1.00 0.00 N ATOM 616 CA LEU A 44 69.252 -2.598 4.169 1.00 0.00 C ATOM 617 C LEU A 44 70.106 -1.851 3.150 1.00 0.00 C ATOM 618 O LEU A 44 69.781 -1.764 1.984 1.00 0.00 O ATOM 619 CB LEU A 44 68.438 -1.631 5.030 1.00 0.00 C ATOM 620 CG LEU A 44 67.307 -2.399 5.719 1.00 0.00 C ATOM 621 CD1 LEU A 44 66.652 -1.510 6.776 1.00 0.00 C ATOM 622 CD2 LEU A 44 66.263 -2.807 4.678 1.00 0.00 C ATOM 0 H LEU A 44 70.211 -2.863 6.052 1.00 0.00 H new ATOM 0 HA LEU A 44 68.596 -3.275 3.622 1.00 0.00 H new ATOM 0 HB2 LEU A 44 69.080 -1.160 5.774 1.00 0.00 H new ATOM 0 HB3 LEU A 44 68.027 -0.833 4.412 1.00 0.00 H new ATOM 0 HG LEU A 44 67.713 -3.290 6.198 1.00 0.00 H new ATOM 0 HD11 LEU A 44 65.847 -2.059 7.265 1.00 0.00 H new ATOM 0 HD12 LEU A 44 67.396 -1.219 7.518 1.00 0.00 H new ATOM 0 HD13 LEU A 44 66.246 -0.618 6.300 1.00 0.00 H new ATOM 0 HD21 LEU A 44 65.457 -3.354 5.166 1.00 0.00 H new ATOM 0 HD22 LEU A 44 65.859 -1.915 4.199 1.00 0.00 H new ATOM 0 HD23 LEU A 44 66.729 -3.443 3.925 1.00 0.00 H new ATOM 634 N ALA A 45 71.218 -1.335 3.588 1.00 0.00 N ATOM 635 CA ALA A 45 72.123 -0.613 2.659 1.00 0.00 C ATOM 636 C ALA A 45 72.876 -1.623 1.792 1.00 0.00 C ATOM 637 O ALA A 45 73.193 -1.358 0.648 1.00 0.00 O ATOM 638 CB ALA A 45 73.091 0.152 3.562 1.00 0.00 C ATOM 0 H ALA A 45 71.539 -1.383 4.555 1.00 0.00 H new ATOM 0 HA ALA A 45 71.588 0.057 1.986 1.00 0.00 H new ATOM 0 HB1 ALA A 45 73.795 0.713 2.948 1.00 0.00 H new ATOM 0 HB2 ALA A 45 72.531 0.841 4.194 1.00 0.00 H new ATOM 0 HB3 ALA A 45 73.638 -0.552 4.189 1.00 0.00 H new ATOM 644 N GLN A 46 73.158 -2.784 2.322 1.00 0.00 N ATOM 645 CA GLN A 46 73.885 -3.803 1.516 1.00 0.00 C ATOM 646 C GLN A 46 72.923 -4.472 0.535 1.00 0.00 C ATOM 647 O GLN A 46 73.311 -4.922 -0.524 1.00 0.00 O ATOM 648 CB GLN A 46 74.407 -4.815 2.535 1.00 0.00 C ATOM 649 CG GLN A 46 75.927 -4.938 2.413 1.00 0.00 C ATOM 650 CD GLN A 46 76.395 -6.161 3.200 1.00 0.00 C ATOM 651 OE1 GLN A 46 76.221 -7.282 2.764 1.00 0.00 O ATOM 652 NE2 GLN A 46 76.985 -5.994 4.351 1.00 0.00 N ATOM 0 H GLN A 46 72.918 -3.068 3.272 1.00 0.00 H new ATOM 0 HA GLN A 46 74.693 -3.370 0.926 1.00 0.00 H new ATOM 0 HB2 GLN A 46 74.138 -4.501 3.544 1.00 0.00 H new ATOM 0 HB3 GLN A 46 73.940 -5.786 2.369 1.00 0.00 H new ATOM 0 HG2 GLN A 46 76.214 -5.033 1.366 1.00 0.00 H new ATOM 0 HG3 GLN A 46 76.409 -4.038 2.795 1.00 0.00 H new ATOM 0 HE21 GLN A 46 77.131 -5.053 4.717 1.00 0.00 H new ATOM 0 HE22 GLN A 46 77.300 -6.804 4.885 1.00 0.00 H new ATOM 661 N ARG A 47 71.667 -4.531 0.878 1.00 0.00 N ATOM 662 CA ARG A 47 70.677 -5.160 -0.036 1.00 0.00 C ATOM 663 C ARG A 47 70.168 -4.121 -1.030 1.00 0.00 C ATOM 664 O ARG A 47 69.598 -4.449 -2.051 1.00 0.00 O ATOM 665 CB ARG A 47 69.543 -5.642 0.870 1.00 0.00 C ATOM 666 CG ARG A 47 70.042 -6.786 1.753 1.00 0.00 C ATOM 667 CD ARG A 47 69.524 -8.116 1.202 1.00 0.00 C ATOM 668 NE ARG A 47 70.212 -8.282 -0.109 1.00 0.00 N ATOM 669 CZ ARG A 47 71.476 -8.612 -0.150 1.00 0.00 C ATOM 670 NH1 ARG A 47 72.143 -8.800 0.956 1.00 0.00 N ATOM 671 NH2 ARG A 47 72.073 -8.754 -1.300 1.00 0.00 N ATOM 0 H ARG A 47 71.284 -4.171 1.752 1.00 0.00 H new ATOM 0 HA ARG A 47 71.103 -5.981 -0.614 1.00 0.00 H new ATOM 0 HB2 ARG A 47 69.185 -4.820 1.490 1.00 0.00 H new ATOM 0 HB3 ARG A 47 68.699 -5.977 0.267 1.00 0.00 H new ATOM 0 HG2 ARG A 47 71.132 -6.791 1.780 1.00 0.00 H new ATOM 0 HG3 ARG A 47 69.698 -6.646 2.778 1.00 0.00 H new ATOM 0 HD2 ARG A 47 69.755 -8.940 1.877 1.00 0.00 H new ATOM 0 HD3 ARG A 47 68.441 -8.098 1.080 1.00 0.00 H new ATOM 0 HE ARG A 47 69.695 -8.138 -0.977 1.00 0.00 H new ATOM 0 HH11 ARG A 47 71.678 -8.690 1.857 1.00 0.00 H new ATOM 0 HH12 ARG A 47 73.129 -9.057 0.919 1.00 0.00 H new ATOM 0 HH21 ARG A 47 71.554 -8.608 -2.166 1.00 0.00 H new ATOM 0 HH22 ARG A 47 73.059 -9.011 -1.334 1.00 0.00 H new ATOM 685 N ILE A 48 70.375 -2.867 -0.739 1.00 0.00 N ATOM 686 CA ILE A 48 69.912 -1.803 -1.670 1.00 0.00 C ATOM 687 C ILE A 48 70.998 -1.514 -2.706 1.00 0.00 C ATOM 688 O ILE A 48 70.717 -1.117 -3.819 1.00 0.00 O ATOM 689 CB ILE A 48 69.669 -0.580 -0.789 1.00 0.00 C ATOM 690 CG1 ILE A 48 68.386 -0.778 0.022 1.00 0.00 C ATOM 691 CG2 ILE A 48 69.526 0.663 -1.669 1.00 0.00 C ATOM 692 CD1 ILE A 48 68.317 0.280 1.126 1.00 0.00 C ATOM 0 H ILE A 48 70.845 -2.534 0.103 1.00 0.00 H new ATOM 0 HA ILE A 48 69.014 -2.089 -2.217 1.00 0.00 H new ATOM 0 HB ILE A 48 70.512 -0.451 -0.110 1.00 0.00 H new ATOM 0 HG12 ILE A 48 67.515 -0.699 -0.629 1.00 0.00 H new ATOM 0 HG13 ILE A 48 68.368 -1.777 0.458 1.00 0.00 H new ATOM 0 HG21 ILE A 48 69.352 1.536 -1.040 1.00 0.00 H new ATOM 0 HG22 ILE A 48 70.439 0.807 -2.246 1.00 0.00 H new ATOM 0 HG23 ILE A 48 68.684 0.533 -2.349 1.00 0.00 H new ATOM 0 HD11 ILE A 48 67.404 0.142 1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 48 69.182 0.179 1.781 1.00 0.00 H new ATOM 0 HD13 ILE A 48 68.315 1.274 0.678 1.00 0.00 H new ATOM 704 N LYS A 49 72.240 -1.710 -2.351 1.00 0.00 N ATOM 705 CA LYS A 49 73.336 -1.443 -3.322 1.00 0.00 C ATOM 706 C LYS A 49 73.483 -2.618 -4.293 1.00 0.00 C ATOM 707 O LYS A 49 74.029 -2.476 -5.370 1.00 0.00 O ATOM 708 CB LYS A 49 74.595 -1.291 -2.467 1.00 0.00 C ATOM 709 CG LYS A 49 75.815 -1.128 -3.376 1.00 0.00 C ATOM 710 CD LYS A 49 77.094 -1.267 -2.546 1.00 0.00 C ATOM 711 CE LYS A 49 78.210 -0.440 -3.188 1.00 0.00 C ATOM 712 NZ LYS A 49 79.373 -0.590 -2.269 1.00 0.00 N ATOM 0 H LYS A 49 72.540 -2.042 -1.434 1.00 0.00 H new ATOM 0 HA LYS A 49 73.145 -0.556 -3.926 1.00 0.00 H new ATOM 0 HB2 LYS A 49 74.499 -0.426 -1.811 1.00 0.00 H new ATOM 0 HB3 LYS A 49 74.720 -2.164 -1.827 1.00 0.00 H new ATOM 0 HG2 LYS A 49 75.797 -1.880 -4.164 1.00 0.00 H new ATOM 0 HG3 LYS A 49 75.790 -0.154 -3.864 1.00 0.00 H new ATOM 0 HD2 LYS A 49 76.917 -0.928 -1.525 1.00 0.00 H new ATOM 0 HD3 LYS A 49 77.390 -2.314 -2.487 1.00 0.00 H new ATOM 0 HE2 LYS A 49 78.447 -0.804 -4.188 1.00 0.00 H new ATOM 0 HE3 LYS A 49 77.919 0.605 -3.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 80.181 -0.051 -2.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 79.120 -0.229 -1.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 79.631 -1.595 -2.197 1.00 0.00 H new ATOM 726 N ASN A 50 73.000 -3.777 -3.928 1.00 0.00 N ATOM 727 CA ASN A 50 73.119 -4.951 -4.843 1.00 0.00 C ATOM 728 C ASN A 50 71.731 -5.502 -5.188 1.00 0.00 C ATOM 729 O ASN A 50 71.562 -6.233 -6.144 1.00 0.00 O ATOM 730 CB ASN A 50 73.920 -5.989 -4.057 1.00 0.00 C ATOM 731 CG ASN A 50 75.220 -5.362 -3.551 1.00 0.00 C ATOM 732 OD1 ASN A 50 75.204 -4.309 -2.946 1.00 0.00 O ATOM 733 ND2 ASN A 50 76.353 -5.970 -3.775 1.00 0.00 N ATOM 0 H ASN A 50 72.531 -3.961 -3.041 1.00 0.00 H new ATOM 0 HA ASN A 50 73.601 -4.688 -5.785 1.00 0.00 H new ATOM 0 HB2 ASN A 50 73.331 -6.357 -3.217 1.00 0.00 H new ATOM 0 HB3 ASN A 50 74.142 -6.848 -4.691 1.00 0.00 H new ATOM 0 HD21 ASN A 50 77.226 -5.561 -3.442 1.00 0.00 H new ATOM 0 HD22 ASN A 50 76.365 -6.854 -4.283 1.00 0.00 H new ATOM 740 N GLY A 51 70.742 -5.156 -4.411 1.00 0.00 N ATOM 741 CA GLY A 51 69.357 -5.659 -4.672 1.00 0.00 C ATOM 742 C GLY A 51 69.384 -7.189 -4.788 1.00 0.00 C ATOM 743 O GLY A 51 70.439 -7.787 -4.857 1.00 0.00 O ATOM 0 H GLY A 51 70.831 -4.543 -3.601 1.00 0.00 H new ATOM 0 HA2 GLY A 51 68.690 -5.356 -3.865 1.00 0.00 H new ATOM 0 HA3 GLY A 51 68.966 -5.220 -5.590 1.00 0.00 H new ATOM 747 N SER A 52 68.236 -7.832 -4.807 1.00 0.00 N ATOM 748 CA SER A 52 68.219 -9.335 -4.913 1.00 0.00 C ATOM 749 C SER A 52 66.847 -9.908 -4.527 1.00 0.00 C ATOM 750 O SER A 52 66.008 -9.225 -3.979 1.00 0.00 O ATOM 751 CB SER A 52 69.268 -9.824 -3.916 1.00 0.00 C ATOM 752 OG SER A 52 70.411 -10.287 -4.623 1.00 0.00 O ATOM 0 H SER A 52 67.319 -7.389 -4.754 1.00 0.00 H new ATOM 0 HA SER A 52 68.424 -9.654 -5.935 1.00 0.00 H new ATOM 0 HB2 SER A 52 69.548 -9.016 -3.240 1.00 0.00 H new ATOM 0 HB3 SER A 52 68.857 -10.626 -3.302 1.00 0.00 H new ATOM 0 HG SER A 52 70.891 -9.523 -5.005 1.00 0.00 H new ATOM 758 N GLN A 53 66.624 -11.172 -4.803 1.00 0.00 N ATOM 759 CA GLN A 53 65.314 -11.802 -4.447 1.00 0.00 C ATOM 760 C GLN A 53 65.424 -12.548 -3.114 1.00 0.00 C ATOM 761 O GLN A 53 66.312 -12.292 -2.325 1.00 0.00 O ATOM 762 CB GLN A 53 64.978 -12.755 -5.607 1.00 0.00 C ATOM 763 CG GLN A 53 65.621 -14.135 -5.404 1.00 0.00 C ATOM 764 CD GLN A 53 67.143 -13.996 -5.350 1.00 0.00 C ATOM 765 OE1 GLN A 53 67.780 -13.765 -6.357 1.00 0.00 O ATOM 766 NE2 GLN A 53 67.757 -14.128 -4.206 1.00 0.00 N ATOM 0 H GLN A 53 67.293 -11.793 -5.259 1.00 0.00 H new ATOM 0 HA GLN A 53 64.526 -11.061 -4.316 1.00 0.00 H new ATOM 0 HB2 GLN A 53 63.897 -12.864 -5.688 1.00 0.00 H new ATOM 0 HB3 GLN A 53 65.326 -12.324 -6.546 1.00 0.00 H new ATOM 0 HG2 GLN A 53 65.255 -14.584 -4.481 1.00 0.00 H new ATOM 0 HG3 GLN A 53 65.336 -14.802 -6.218 1.00 0.00 H new ATOM 0 HE21 GLN A 53 67.222 -14.322 -3.359 1.00 0.00 H new ATOM 0 HE22 GLN A 53 68.772 -14.037 -4.158 1.00 0.00 H new ATOM 775 N GLY A 54 64.521 -13.450 -2.842 1.00 0.00 N ATOM 776 CA GLY A 54 64.577 -14.177 -1.545 1.00 0.00 C ATOM 777 C GLY A 54 64.402 -13.155 -0.426 1.00 0.00 C ATOM 778 O GLY A 54 64.740 -13.393 0.717 1.00 0.00 O ATOM 0 H GLY A 54 63.752 -13.713 -3.458 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.793 -14.933 -1.497 1.00 0.00 H new ATOM 0 HA3 GLY A 54 65.529 -14.698 -1.440 1.00 0.00 H new ATOM 782 N VAL A 55 63.873 -12.009 -0.760 1.00 0.00 N ATOM 783 CA VAL A 55 63.665 -10.941 0.254 1.00 0.00 C ATOM 784 C VAL A 55 62.213 -10.970 0.735 1.00 0.00 C ATOM 785 O VAL A 55 61.925 -11.328 1.860 1.00 0.00 O ATOM 786 CB VAL A 55 63.964 -9.644 -0.503 1.00 0.00 C ATOM 787 CG1 VAL A 55 64.101 -8.484 0.481 1.00 0.00 C ATOM 788 CG2 VAL A 55 65.272 -9.804 -1.282 1.00 0.00 C ATOM 0 H VAL A 55 63.573 -11.767 -1.704 1.00 0.00 H new ATOM 0 HA VAL A 55 64.294 -11.054 1.137 1.00 0.00 H new ATOM 0 HB VAL A 55 63.145 -9.434 -1.191 1.00 0.00 H new ATOM 0 HG11 VAL A 55 64.314 -7.566 -0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 55 63.171 -8.368 1.038 1.00 0.00 H new ATOM 0 HG13 VAL A 55 64.916 -8.690 1.175 1.00 0.00 H new ATOM 0 HG21 VAL A 55 65.489 -8.883 -1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 55 66.085 -10.017 -0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 55 65.175 -10.626 -1.991 1.00 0.00 H new ATOM 798 N TRP A 56 61.298 -10.606 -0.116 1.00 0.00 N ATOM 799 CA TRP A 56 59.866 -10.621 0.263 1.00 0.00 C ATOM 800 C TRP A 56 59.122 -11.595 -0.648 1.00 0.00 C ATOM 801 O TRP A 56 58.235 -12.313 -0.228 1.00 0.00 O ATOM 802 CB TRP A 56 59.398 -9.195 0.010 1.00 0.00 C ATOM 803 CG TRP A 56 60.073 -8.266 0.966 1.00 0.00 C ATOM 804 CD1 TRP A 56 61.264 -7.663 0.746 1.00 0.00 C ATOM 805 CD2 TRP A 56 59.620 -7.813 2.275 1.00 0.00 C ATOM 806 NE1 TRP A 56 61.571 -6.869 1.836 1.00 0.00 N ATOM 807 CE2 TRP A 56 60.590 -6.929 2.804 1.00 0.00 C ATOM 808 CE3 TRP A 56 58.475 -8.079 3.048 1.00 0.00 C ATOM 809 CZ2 TRP A 56 60.432 -6.331 4.052 1.00 0.00 C ATOM 810 CZ3 TRP A 56 58.313 -7.477 4.307 1.00 0.00 C ATOM 811 CH2 TRP A 56 59.290 -6.605 4.806 1.00 0.00 C ATOM 0 H TRP A 56 61.487 -10.295 -1.069 1.00 0.00 H new ATOM 0 HA TRP A 56 59.692 -10.934 1.293 1.00 0.00 H new ATOM 0 HB2 TRP A 56 59.625 -8.904 -1.016 1.00 0.00 H new ATOM 0 HB3 TRP A 56 58.316 -9.131 0.128 1.00 0.00 H new ATOM 0 HD1 TRP A 56 61.875 -7.782 -0.136 1.00 0.00 H new ATOM 0 HE1 TRP A 56 62.419 -6.308 1.915 1.00 0.00 H new ATOM 0 HE3 TRP A 56 57.717 -8.749 2.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 61.188 -5.660 4.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 57.431 -7.687 4.893 1.00 0.00 H new ATOM 0 HH2 TRP A 56 59.159 -6.145 5.774 1.00 0.00 H new ATOM 822 N GLY A 57 59.492 -11.622 -1.898 1.00 0.00 N ATOM 823 CA GLY A 57 58.833 -12.544 -2.862 1.00 0.00 C ATOM 824 C GLY A 57 59.828 -12.909 -3.970 1.00 0.00 C ATOM 825 O GLY A 57 61.008 -12.646 -3.850 1.00 0.00 O ATOM 0 H GLY A 57 60.229 -11.039 -2.295 1.00 0.00 H new ATOM 0 HA2 GLY A 57 58.495 -13.444 -2.349 1.00 0.00 H new ATOM 0 HA3 GLY A 57 57.950 -12.071 -3.291 1.00 0.00 H new ATOM 829 N PRO A 58 59.320 -13.510 -5.020 1.00 0.00 N ATOM 830 CA PRO A 58 60.171 -13.921 -6.170 1.00 0.00 C ATOM 831 C PRO A 58 60.654 -12.712 -6.994 1.00 0.00 C ATOM 832 O PRO A 58 61.115 -12.867 -8.108 1.00 0.00 O ATOM 833 CB PRO A 58 59.202 -14.769 -7.004 1.00 0.00 C ATOM 834 CG PRO A 58 57.830 -14.792 -6.302 1.00 0.00 C ATOM 835 CD PRO A 58 57.877 -13.828 -5.110 1.00 0.00 C ATOM 0 HA PRO A 58 61.078 -14.439 -5.858 1.00 0.00 H new ATOM 0 HB2 PRO A 58 59.105 -14.354 -8.007 1.00 0.00 H new ATOM 0 HB3 PRO A 58 59.587 -15.783 -7.114 1.00 0.00 H new ATOM 0 HG2 PRO A 58 57.044 -14.497 -6.997 1.00 0.00 H new ATOM 0 HG3 PRO A 58 57.594 -15.801 -5.964 1.00 0.00 H new ATOM 0 HD2 PRO A 58 57.274 -12.937 -5.283 1.00 0.00 H new ATOM 0 HD3 PRO A 58 57.505 -14.292 -4.197 1.00 0.00 H new ATOM 843 N ILE A 59 60.546 -11.514 -6.480 1.00 0.00 N ATOM 844 CA ILE A 59 60.995 -10.328 -7.267 1.00 0.00 C ATOM 845 C ILE A 59 62.261 -9.710 -6.657 1.00 0.00 C ATOM 846 O ILE A 59 62.179 -8.920 -5.736 1.00 0.00 O ATOM 847 CB ILE A 59 59.832 -9.343 -7.182 1.00 0.00 C ATOM 848 CG1 ILE A 59 58.532 -10.064 -7.544 1.00 0.00 C ATOM 849 CG2 ILE A 59 60.068 -8.191 -8.159 1.00 0.00 C ATOM 850 CD1 ILE A 59 57.415 -9.035 -7.726 1.00 0.00 C ATOM 0 H ILE A 59 60.169 -11.307 -5.555 1.00 0.00 H new ATOM 0 HA ILE A 59 61.244 -10.593 -8.294 1.00 0.00 H new ATOM 0 HB ILE A 59 59.760 -8.948 -6.169 1.00 0.00 H new ATOM 0 HG12 ILE A 59 58.665 -10.639 -8.460 1.00 0.00 H new ATOM 0 HG13 ILE A 59 58.265 -10.772 -6.759 1.00 0.00 H new ATOM 0 HG21 ILE A 59 59.238 -7.487 -8.099 1.00 0.00 H new ATOM 0 HG22 ILE A 59 60.996 -7.680 -7.902 1.00 0.00 H new ATOM 0 HG23 ILE A 59 60.139 -8.583 -9.174 1.00 0.00 H new ATOM 0 HD11 ILE A 59 56.488 -9.546 -7.984 1.00 0.00 H new ATOM 0 HD12 ILE A 59 57.277 -8.480 -6.798 1.00 0.00 H new ATOM 0 HD13 ILE A 59 57.683 -8.345 -8.526 1.00 0.00 H new ATOM 862 N PRO A 60 63.397 -10.081 -7.196 1.00 0.00 N ATOM 863 CA PRO A 60 64.687 -9.544 -6.703 1.00 0.00 C ATOM 864 C PRO A 60 64.777 -8.042 -6.961 1.00 0.00 C ATOM 865 O PRO A 60 64.583 -7.586 -8.071 1.00 0.00 O ATOM 866 CB PRO A 60 65.713 -10.282 -7.570 1.00 0.00 C ATOM 867 CG PRO A 60 64.963 -11.212 -8.544 1.00 0.00 C ATOM 868 CD PRO A 60 63.455 -11.054 -8.313 1.00 0.00 C ATOM 0 HA PRO A 60 64.830 -9.684 -5.632 1.00 0.00 H new ATOM 0 HB2 PRO A 60 66.322 -9.568 -8.124 1.00 0.00 H new ATOM 0 HB3 PRO A 60 66.391 -10.860 -6.942 1.00 0.00 H new ATOM 0 HG2 PRO A 60 65.215 -10.962 -9.575 1.00 0.00 H new ATOM 0 HG3 PRO A 60 65.263 -12.248 -8.384 1.00 0.00 H new ATOM 0 HD2 PRO A 60 62.946 -10.681 -9.202 1.00 0.00 H new ATOM 0 HD3 PRO A 60 62.984 -12.001 -8.050 1.00 0.00 H new ATOM 876 N MET A 61 65.092 -7.264 -5.964 1.00 0.00 N ATOM 877 CA MET A 61 65.212 -5.806 -6.200 1.00 0.00 C ATOM 878 C MET A 61 66.445 -5.547 -7.067 1.00 0.00 C ATOM 879 O MET A 61 67.514 -6.028 -6.753 1.00 0.00 O ATOM 880 CB MET A 61 65.410 -5.191 -4.820 1.00 0.00 C ATOM 881 CG MET A 61 65.698 -3.697 -4.971 1.00 0.00 C ATOM 882 SD MET A 61 67.381 -3.341 -4.415 1.00 0.00 S ATOM 883 CE MET A 61 66.973 -3.086 -2.672 1.00 0.00 C ATOM 0 H MET A 61 65.269 -7.573 -5.008 1.00 0.00 H new ATOM 0 HA MET A 61 64.342 -5.388 -6.707 1.00 0.00 H new ATOM 0 HB2 MET A 61 64.519 -5.342 -4.210 1.00 0.00 H new ATOM 0 HB3 MET A 61 66.236 -5.682 -4.305 1.00 0.00 H new ATOM 0 HG2 MET A 61 65.578 -3.397 -6.012 1.00 0.00 H new ATOM 0 HG3 MET A 61 64.982 -3.118 -4.388 1.00 0.00 H new ATOM 0 HE1 MET A 61 67.035 -2.024 -2.435 1.00 0.00 H new ATOM 0 HE2 MET A 61 65.961 -3.442 -2.479 1.00 0.00 H new ATOM 0 HE3 MET A 61 67.677 -3.638 -2.049 1.00 0.00 H new ATOM 893 N PRO A 62 66.268 -4.805 -8.131 1.00 0.00 N ATOM 894 CA PRO A 62 67.401 -4.499 -9.029 1.00 0.00 C ATOM 895 C PRO A 62 68.444 -3.663 -8.272 1.00 0.00 C ATOM 896 O PRO A 62 68.101 -2.674 -7.656 1.00 0.00 O ATOM 897 CB PRO A 62 66.740 -3.675 -10.138 1.00 0.00 C ATOM 898 CG PRO A 62 65.238 -3.534 -9.821 1.00 0.00 C ATOM 899 CD PRO A 62 64.946 -4.244 -8.495 1.00 0.00 C ATOM 0 HA PRO A 62 67.923 -5.378 -9.407 1.00 0.00 H new ATOM 0 HB2 PRO A 62 67.206 -2.692 -10.207 1.00 0.00 H new ATOM 0 HB3 PRO A 62 66.878 -4.161 -11.104 1.00 0.00 H new ATOM 0 HG2 PRO A 62 64.963 -2.481 -9.754 1.00 0.00 H new ATOM 0 HG3 PRO A 62 64.640 -3.969 -10.622 1.00 0.00 H new ATOM 0 HD2 PRO A 62 64.577 -3.553 -7.738 1.00 0.00 H new ATOM 0 HD3 PRO A 62 64.193 -5.023 -8.610 1.00 0.00 H new ATOM 907 N PRO A 63 69.686 -4.075 -8.335 1.00 0.00 N ATOM 908 CA PRO A 63 70.756 -3.332 -7.634 1.00 0.00 C ATOM 909 C PRO A 63 70.784 -1.878 -8.114 1.00 0.00 C ATOM 910 O PRO A 63 70.442 -1.583 -9.242 1.00 0.00 O ATOM 911 CB PRO A 63 72.018 -4.090 -8.045 1.00 0.00 C ATOM 912 CG PRO A 63 71.616 -5.252 -8.976 1.00 0.00 C ATOM 913 CD PRO A 63 70.087 -5.279 -9.098 1.00 0.00 C ATOM 0 HA PRO A 63 70.632 -3.282 -6.552 1.00 0.00 H new ATOM 0 HB2 PRO A 63 72.712 -3.421 -8.554 1.00 0.00 H new ATOM 0 HB3 PRO A 63 72.533 -4.473 -7.164 1.00 0.00 H new ATOM 0 HG2 PRO A 63 72.071 -5.124 -9.958 1.00 0.00 H new ATOM 0 HG3 PRO A 63 71.980 -6.199 -8.577 1.00 0.00 H new ATOM 0 HD2 PRO A 63 69.761 -5.229 -10.137 1.00 0.00 H new ATOM 0 HD3 PRO A 63 69.662 -6.189 -8.674 1.00 0.00 H new ATOM 921 N ASN A 64 71.165 -0.967 -7.263 1.00 0.00 N ATOM 922 CA ASN A 64 71.185 0.466 -7.674 1.00 0.00 C ATOM 923 C ASN A 64 72.592 1.055 -7.546 1.00 0.00 C ATOM 924 O ASN A 64 73.453 0.504 -6.888 1.00 0.00 O ATOM 925 CB ASN A 64 70.226 1.153 -6.702 1.00 0.00 C ATOM 926 CG ASN A 64 68.824 0.565 -6.872 1.00 0.00 C ATOM 927 OD1 ASN A 64 68.515 -0.543 -6.252 1.00 0.00 O flip ATOM 928 ND2 ASN A 64 68.002 1.115 -7.576 1.00 0.00 N flip ATOM 0 H ASN A 64 71.462 -1.150 -6.305 1.00 0.00 H new ATOM 0 HA ASN A 64 70.894 0.599 -8.716 1.00 0.00 H new ATOM 0 HB2 ASN A 64 70.569 1.014 -5.677 1.00 0.00 H new ATOM 0 HB3 ASN A 64 70.207 2.227 -6.890 1.00 0.00 H new ATOM 0 HD21 ASN A 64 68.242 1.980 -8.060 1.00 0.00 H new ATOM 0 HD22 ASN A 64 67.071 0.712 -7.683 1.00 0.00 H new ATOM 935 N ALA A 65 72.831 2.177 -8.172 1.00 0.00 N ATOM 936 CA ALA A 65 74.176 2.811 -8.089 1.00 0.00 C ATOM 937 C ALA A 65 74.227 3.780 -6.907 1.00 0.00 C ATOM 938 O ALA A 65 74.845 4.824 -6.971 1.00 0.00 O ATOM 939 CB ALA A 65 74.340 3.566 -9.408 1.00 0.00 C ATOM 0 H ALA A 65 72.149 2.682 -8.739 1.00 0.00 H new ATOM 0 HA ALA A 65 74.970 2.080 -7.937 1.00 0.00 H new ATOM 0 HB1 ALA A 65 75.310 4.062 -9.425 1.00 0.00 H new ATOM 0 HB2 ALA A 65 74.277 2.864 -10.239 1.00 0.00 H new ATOM 0 HB3 ALA A 65 73.550 4.311 -9.502 1.00 0.00 H new ATOM 945 N VAL A 66 73.576 3.442 -5.829 1.00 0.00 N ATOM 946 CA VAL A 66 73.580 4.342 -4.639 1.00 0.00 C ATOM 947 C VAL A 66 74.827 4.091 -3.790 1.00 0.00 C ATOM 948 O VAL A 66 74.946 3.074 -3.135 1.00 0.00 O ATOM 949 CB VAL A 66 72.318 3.976 -3.853 1.00 0.00 C ATOM 950 CG1 VAL A 66 71.080 4.418 -4.636 1.00 0.00 C ATOM 951 CG2 VAL A 66 72.271 2.461 -3.639 1.00 0.00 C ATOM 0 H VAL A 66 73.040 2.581 -5.719 1.00 0.00 H new ATOM 0 HA VAL A 66 73.592 5.394 -4.922 1.00 0.00 H new ATOM 0 HB VAL A 66 72.335 4.480 -2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 66 70.182 4.157 -4.075 1.00 0.00 H new ATOM 0 HG12 VAL A 66 71.112 5.497 -4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 66 71.063 3.916 -5.603 1.00 0.00 H new ATOM 0 HG21 VAL A 66 71.373 2.200 -3.079 1.00 0.00 H new ATOM 0 HG22 VAL A 66 72.255 1.957 -4.606 1.00 0.00 H new ATOM 0 HG23 VAL A 66 73.151 2.145 -3.079 1.00 0.00 H new ATOM 961 N SER A 67 75.755 5.012 -3.792 1.00 0.00 N ATOM 962 CA SER A 67 76.990 4.826 -2.977 1.00 0.00 C ATOM 963 C SER A 67 76.619 4.253 -1.609 1.00 0.00 C ATOM 964 O SER A 67 75.528 4.449 -1.129 1.00 0.00 O ATOM 965 CB SER A 67 77.578 6.229 -2.832 1.00 0.00 C ATOM 966 OG SER A 67 76.898 6.917 -1.790 1.00 0.00 O ATOM 0 H SER A 67 75.711 5.883 -4.322 1.00 0.00 H new ATOM 0 HA SER A 67 77.699 4.136 -3.435 1.00 0.00 H new ATOM 0 HB2 SER A 67 78.643 6.168 -2.609 1.00 0.00 H new ATOM 0 HB3 SER A 67 77.479 6.776 -3.770 1.00 0.00 H new ATOM 0 HG SER A 67 77.274 7.817 -1.693 1.00 0.00 H new ATOM 972 N ASP A 68 77.509 3.538 -0.983 1.00 0.00 N ATOM 973 CA ASP A 68 77.181 2.950 0.350 1.00 0.00 C ATOM 974 C ASP A 68 76.509 3.990 1.253 1.00 0.00 C ATOM 975 O ASP A 68 75.490 3.728 1.860 1.00 0.00 O ATOM 976 CB ASP A 68 78.528 2.519 0.934 1.00 0.00 C ATOM 977 CG ASP A 68 78.294 1.557 2.100 1.00 0.00 C ATOM 978 OD1 ASP A 68 77.900 2.023 3.157 1.00 0.00 O ATOM 979 OD2 ASP A 68 78.514 0.372 1.917 1.00 0.00 O ATOM 0 H ASP A 68 78.446 3.334 -1.332 1.00 0.00 H new ATOM 0 HA ASP A 68 76.484 2.116 0.267 1.00 0.00 H new ATOM 0 HB2 ASP A 68 79.132 2.036 0.166 1.00 0.00 H new ATOM 0 HB3 ASP A 68 79.085 3.392 1.275 1.00 0.00 H new ATOM 984 N ASP A 69 77.072 5.163 1.354 1.00 0.00 N ATOM 985 CA ASP A 69 76.461 6.208 2.227 1.00 0.00 C ATOM 986 C ASP A 69 75.047 6.550 1.744 1.00 0.00 C ATOM 987 O ASP A 69 74.164 6.839 2.529 1.00 0.00 O ATOM 988 CB ASP A 69 77.384 7.421 2.099 1.00 0.00 C ATOM 989 CG ASP A 69 77.443 8.160 3.437 1.00 0.00 C ATOM 990 OD1 ASP A 69 76.424 8.699 3.839 1.00 0.00 O ATOM 991 OD2 ASP A 69 78.504 8.176 4.038 1.00 0.00 O ATOM 0 H ASP A 69 77.926 5.443 0.872 1.00 0.00 H new ATOM 0 HA ASP A 69 76.366 5.876 3.261 1.00 0.00 H new ATOM 0 HB2 ASP A 69 78.383 7.101 1.803 1.00 0.00 H new ATOM 0 HB3 ASP A 69 77.019 8.088 1.318 1.00 0.00 H new ATOM 996 N GLU A 70 74.825 6.525 0.459 1.00 0.00 N ATOM 997 CA GLU A 70 73.469 6.852 -0.071 1.00 0.00 C ATOM 998 C GLU A 70 72.472 5.744 0.281 1.00 0.00 C ATOM 999 O GLU A 70 71.345 6.008 0.650 1.00 0.00 O ATOM 1000 CB GLU A 70 73.649 6.957 -1.586 1.00 0.00 C ATOM 1001 CG GLU A 70 73.709 8.433 -1.992 1.00 0.00 C ATOM 1002 CD GLU A 70 72.767 8.673 -3.173 1.00 0.00 C ATOM 1003 OE1 GLU A 70 71.634 8.229 -3.100 1.00 0.00 O ATOM 1004 OE2 GLU A 70 73.196 9.298 -4.130 1.00 0.00 O ATOM 0 H GLU A 70 75.523 6.293 -0.248 1.00 0.00 H new ATOM 0 HA GLU A 70 73.073 7.773 0.357 1.00 0.00 H new ATOM 0 HB2 GLU A 70 74.563 6.448 -1.891 1.00 0.00 H new ATOM 0 HB3 GLU A 70 72.823 6.462 -2.096 1.00 0.00 H new ATOM 0 HG2 GLU A 70 73.424 9.065 -1.151 1.00 0.00 H new ATOM 0 HG3 GLU A 70 74.729 8.706 -2.264 1.00 0.00 H new ATOM 1011 N ALA A 71 72.878 4.509 0.180 1.00 0.00 N ATOM 1012 CA ALA A 71 71.951 3.394 0.523 1.00 0.00 C ATOM 1013 C ALA A 71 71.762 3.352 2.038 1.00 0.00 C ATOM 1014 O ALA A 71 70.786 2.835 2.542 1.00 0.00 O ATOM 1015 CB ALA A 71 72.649 2.125 0.032 1.00 0.00 C ATOM 0 H ALA A 71 73.809 4.224 -0.124 1.00 0.00 H new ATOM 0 HA ALA A 71 70.967 3.506 0.069 1.00 0.00 H new ATOM 0 HB1 ALA A 71 72.025 1.259 0.250 1.00 0.00 H new ATOM 0 HB2 ALA A 71 72.813 2.193 -1.044 1.00 0.00 H new ATOM 0 HB3 ALA A 71 73.608 2.018 0.539 1.00 0.00 H new ATOM 1021 N GLN A 72 72.688 3.918 2.764 1.00 0.00 N ATOM 1022 CA GLN A 72 72.566 3.940 4.246 1.00 0.00 C ATOM 1023 C GLN A 72 71.437 4.890 4.620 1.00 0.00 C ATOM 1024 O GLN A 72 70.596 4.587 5.443 1.00 0.00 O ATOM 1025 CB GLN A 72 73.910 4.462 4.754 1.00 0.00 C ATOM 1026 CG GLN A 72 74.891 3.297 4.889 1.00 0.00 C ATOM 1027 CD GLN A 72 76.128 3.754 5.664 1.00 0.00 C ATOM 1028 OE1 GLN A 72 76.283 4.925 5.950 1.00 0.00 O ATOM 1029 NE2 GLN A 72 77.020 2.871 6.020 1.00 0.00 N ATOM 0 H GLN A 72 73.525 4.367 2.392 1.00 0.00 H new ATOM 0 HA GLN A 72 72.341 2.964 4.676 1.00 0.00 H new ATOM 0 HB2 GLN A 72 74.307 5.207 4.065 1.00 0.00 H new ATOM 0 HB3 GLN A 72 73.780 4.956 5.717 1.00 0.00 H new ATOM 0 HG2 GLN A 72 74.413 2.464 5.405 1.00 0.00 H new ATOM 0 HG3 GLN A 72 75.181 2.936 3.902 1.00 0.00 H new ATOM 0 HE21 GLN A 72 76.889 1.888 5.780 1.00 0.00 H new ATOM 0 HE22 GLN A 72 77.848 3.163 6.539 1.00 0.00 H new ATOM 1038 N THR A 73 71.395 6.029 3.989 1.00 0.00 N ATOM 1039 CA THR A 73 70.299 6.989 4.273 1.00 0.00 C ATOM 1040 C THR A 73 69.005 6.422 3.697 1.00 0.00 C ATOM 1041 O THR A 73 67.919 6.737 4.141 1.00 0.00 O ATOM 1042 CB THR A 73 70.688 8.282 3.553 1.00 0.00 C ATOM 1043 OG1 THR A 73 71.796 8.886 4.213 1.00 0.00 O ATOM 1044 CG2 THR A 73 69.498 9.243 3.560 1.00 0.00 C ATOM 0 H THR A 73 72.072 6.335 3.290 1.00 0.00 H new ATOM 0 HA THR A 73 70.151 7.167 5.338 1.00 0.00 H new ATOM 0 HB THR A 73 70.967 8.055 2.524 1.00 0.00 H new ATOM 0 HG1 THR A 73 72.043 9.713 3.748 1.00 0.00 H new ATOM 0 HG21 THR A 73 69.772 10.165 3.048 1.00 0.00 H new ATOM 0 HG22 THR A 73 68.654 8.781 3.048 1.00 0.00 H new ATOM 0 HG23 THR A 73 69.219 9.469 4.589 1.00 0.00 H new ATOM 1052 N LEU A 74 69.123 5.566 2.715 1.00 0.00 N ATOM 1053 CA LEU A 74 67.908 4.953 2.113 1.00 0.00 C ATOM 1054 C LEU A 74 67.312 3.955 3.104 1.00 0.00 C ATOM 1055 O LEU A 74 66.111 3.840 3.243 1.00 0.00 O ATOM 1056 CB LEU A 74 68.398 4.245 0.847 1.00 0.00 C ATOM 1057 CG LEU A 74 68.607 5.281 -0.258 1.00 0.00 C ATOM 1058 CD1 LEU A 74 69.159 4.596 -1.509 1.00 0.00 C ATOM 1059 CD2 LEU A 74 67.268 5.944 -0.587 1.00 0.00 C ATOM 0 H LEU A 74 70.008 5.267 2.306 1.00 0.00 H new ATOM 0 HA LEU A 74 67.134 5.683 1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 74 69.330 3.717 1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 74 67.671 3.498 0.529 1.00 0.00 H new ATOM 0 HG LEU A 74 69.317 6.036 0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 74 69.307 5.337 -2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 74 70.112 4.122 -1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 74 68.452 3.840 -1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 74 67.412 6.684 -1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 74 66.561 5.187 -0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 74 66.876 6.434 0.304 1.00 0.00 H new ATOM 1071 N ALA A 75 68.151 3.247 3.812 1.00 0.00 N ATOM 1072 CA ALA A 75 67.639 2.272 4.814 1.00 0.00 C ATOM 1073 C ALA A 75 66.926 3.031 5.934 1.00 0.00 C ATOM 1074 O ALA A 75 65.797 2.741 6.274 1.00 0.00 O ATOM 1075 CB ALA A 75 68.881 1.562 5.350 1.00 0.00 C ATOM 0 H ALA A 75 69.167 3.303 3.739 1.00 0.00 H new ATOM 0 HA ALA A 75 66.927 1.564 4.391 1.00 0.00 H new ATOM 0 HB1 ALA A 75 68.585 0.825 6.097 1.00 0.00 H new ATOM 0 HB2 ALA A 75 69.396 1.061 4.530 1.00 0.00 H new ATOM 0 HB3 ALA A 75 69.549 2.292 5.806 1.00 0.00 H new ATOM 1081 N LYS A 76 67.574 4.013 6.499 1.00 0.00 N ATOM 1082 CA LYS A 76 66.925 4.802 7.584 1.00 0.00 C ATOM 1083 C LYS A 76 65.750 5.587 7.002 1.00 0.00 C ATOM 1084 O LYS A 76 64.838 5.975 7.702 1.00 0.00 O ATOM 1085 CB LYS A 76 68.011 5.752 8.094 1.00 0.00 C ATOM 1086 CG LYS A 76 69.096 4.952 8.817 1.00 0.00 C ATOM 1087 CD LYS A 76 70.179 5.906 9.330 1.00 0.00 C ATOM 1088 CE LYS A 76 70.699 6.761 8.173 1.00 0.00 C ATOM 1089 NZ LYS A 76 72.182 6.705 8.293 1.00 0.00 N ATOM 0 H LYS A 76 68.522 4.302 6.257 1.00 0.00 H new ATOM 0 HA LYS A 76 66.536 4.176 8.387 1.00 0.00 H new ATOM 0 HB2 LYS A 76 68.446 6.303 7.261 1.00 0.00 H new ATOM 0 HB3 LYS A 76 67.576 6.488 8.770 1.00 0.00 H new ATOM 0 HG2 LYS A 76 68.661 4.398 9.649 1.00 0.00 H new ATOM 0 HG3 LYS A 76 69.534 4.218 8.140 1.00 0.00 H new ATOM 0 HD2 LYS A 76 69.773 6.545 10.114 1.00 0.00 H new ATOM 0 HD3 LYS A 76 70.998 5.339 9.773 1.00 0.00 H new ATOM 0 HE2 LYS A 76 70.365 6.370 7.212 1.00 0.00 H new ATOM 0 HE3 LYS A 76 70.335 7.786 8.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 72.613 7.269 7.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 72.470 7.089 9.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 72.500 5.718 8.215 1.00 0.00 H new ATOM 1103 N TRP A 77 65.769 5.819 5.717 1.00 0.00 N ATOM 1104 CA TRP A 77 64.658 6.572 5.069 1.00 0.00 C ATOM 1105 C TRP A 77 63.448 5.655 4.879 1.00 0.00 C ATOM 1106 O TRP A 77 62.323 6.105 4.788 1.00 0.00 O ATOM 1107 CB TRP A 77 65.227 7.005 3.719 1.00 0.00 C ATOM 1108 CG TRP A 77 64.136 7.570 2.869 1.00 0.00 C ATOM 1109 CD1 TRP A 77 63.595 8.800 3.014 1.00 0.00 C ATOM 1110 CD2 TRP A 77 63.451 6.953 1.743 1.00 0.00 C ATOM 1111 NE1 TRP A 77 62.625 8.979 2.043 1.00 0.00 N ATOM 1112 CE2 TRP A 77 62.499 7.867 1.236 1.00 0.00 C ATOM 1113 CE3 TRP A 77 63.565 5.698 1.119 1.00 0.00 C ATOM 1114 CZ2 TRP A 77 61.688 7.551 0.147 1.00 0.00 C ATOM 1115 CZ3 TRP A 77 62.749 5.375 0.022 1.00 0.00 C ATOM 1116 CH2 TRP A 77 61.813 6.300 -0.464 1.00 0.00 C ATOM 0 H TRP A 77 66.511 5.517 5.085 1.00 0.00 H new ATOM 0 HA TRP A 77 64.320 7.422 5.662 1.00 0.00 H new ATOM 0 HB2 TRP A 77 66.009 7.750 3.866 1.00 0.00 H new ATOM 0 HB3 TRP A 77 65.687 6.154 3.218 1.00 0.00 H new ATOM 0 HD1 TRP A 77 63.874 9.525 3.765 1.00 0.00 H new ATOM 0 HE1 TRP A 77 62.071 9.829 1.937 1.00 0.00 H new ATOM 0 HE3 TRP A 77 64.283 4.979 1.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 60.969 8.267 -0.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 62.843 4.408 -0.450 1.00 0.00 H new ATOM 0 HH2 TRP A 77 61.190 6.046 -1.309 1.00 0.00 H new ATOM 1127 N ILE A 78 63.670 4.369 4.821 1.00 0.00 N ATOM 1128 CA ILE A 78 62.531 3.423 4.646 1.00 0.00 C ATOM 1129 C ILE A 78 61.894 3.111 6.005 1.00 0.00 C ATOM 1130 O ILE A 78 60.733 3.385 6.234 1.00 0.00 O ATOM 1131 CB ILE A 78 63.147 2.156 4.043 1.00 0.00 C ATOM 1132 CG1 ILE A 78 63.515 2.400 2.576 1.00 0.00 C ATOM 1133 CG2 ILE A 78 62.135 1.011 4.124 1.00 0.00 C ATOM 1134 CD1 ILE A 78 64.821 1.671 2.251 1.00 0.00 C ATOM 0 H ILE A 78 64.590 3.933 4.887 1.00 0.00 H new ATOM 0 HA ILE A 78 61.748 3.836 4.009 1.00 0.00 H new ATOM 0 HB ILE A 78 64.046 1.896 4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 78 62.716 2.045 1.925 1.00 0.00 H new ATOM 0 HG13 ILE A 78 63.626 3.468 2.390 1.00 0.00 H new ATOM 0 HG21 ILE A 78 62.571 0.109 3.695 1.00 0.00 H new ATOM 0 HG22 ILE A 78 61.875 0.828 5.167 1.00 0.00 H new ATOM 0 HG23 ILE A 78 61.237 1.279 3.568 1.00 0.00 H new ATOM 0 HD11 ILE A 78 65.084 1.844 1.207 1.00 0.00 H new ATOM 0 HD12 ILE A 78 65.617 2.047 2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 78 64.693 0.602 2.421 1.00 0.00 H new ATOM 1146 N LEU A 79 62.645 2.538 6.908 1.00 0.00 N ATOM 1147 CA LEU A 79 62.079 2.209 8.249 1.00 0.00 C ATOM 1148 C LEU A 79 61.366 3.427 8.836 1.00 0.00 C ATOM 1149 O LEU A 79 60.300 3.323 9.408 1.00 0.00 O ATOM 1150 CB LEU A 79 63.284 1.828 9.110 1.00 0.00 C ATOM 1151 CG LEU A 79 63.332 0.309 9.287 1.00 0.00 C ATOM 1152 CD1 LEU A 79 64.754 -0.186 9.022 1.00 0.00 C ATOM 1153 CD2 LEU A 79 62.925 -0.053 10.717 1.00 0.00 C ATOM 0 H LEU A 79 63.624 2.284 6.775 1.00 0.00 H new ATOM 0 HA LEU A 79 61.345 1.405 8.198 1.00 0.00 H new ATOM 0 HB2 LEU A 79 64.203 2.178 8.641 1.00 0.00 H new ATOM 0 HB3 LEU A 79 63.217 2.315 10.083 1.00 0.00 H new ATOM 0 HG LEU A 79 62.644 -0.161 8.585 1.00 0.00 H new ATOM 0 HD11 LEU A 79 64.792 -1.268 9.147 1.00 0.00 H new ATOM 0 HD12 LEU A 79 65.045 0.072 8.004 1.00 0.00 H new ATOM 0 HD13 LEU A 79 65.440 0.285 9.726 1.00 0.00 H new ATOM 0 HD21 LEU A 79 62.959 -1.135 10.842 1.00 0.00 H new ATOM 0 HD22 LEU A 79 63.613 0.416 11.421 1.00 0.00 H new ATOM 0 HD23 LEU A 79 61.912 0.302 10.908 1.00 0.00 H new ATOM 1165 N SER A 80 61.951 4.583 8.700 1.00 0.00 N ATOM 1166 CA SER A 80 61.312 5.813 9.252 1.00 0.00 C ATOM 1167 C SER A 80 60.334 6.404 8.236 1.00 0.00 C ATOM 1168 O SER A 80 59.248 6.823 8.582 1.00 0.00 O ATOM 1169 CB SER A 80 62.467 6.779 9.505 1.00 0.00 C ATOM 1170 OG SER A 80 63.127 6.419 10.710 1.00 0.00 O ATOM 0 H SER A 80 62.844 4.731 8.231 1.00 0.00 H new ATOM 0 HA SER A 80 60.743 5.610 10.159 1.00 0.00 H new ATOM 0 HB2 SER A 80 63.168 6.751 8.671 1.00 0.00 H new ATOM 0 HB3 SER A 80 62.093 7.801 9.573 1.00 0.00 H new ATOM 0 HG SER A 80 63.870 7.037 10.873 1.00 0.00 H new ATOM 1176 N GLN A 81 60.715 6.437 6.985 1.00 0.00 N ATOM 1177 CA GLN A 81 59.815 7.001 5.936 1.00 0.00 C ATOM 1178 C GLN A 81 59.057 8.219 6.473 1.00 0.00 C ATOM 1179 O GLN A 81 59.494 8.877 7.397 1.00 0.00 O ATOM 1180 CB GLN A 81 58.842 5.868 5.601 1.00 0.00 C ATOM 1181 CG GLN A 81 59.040 5.428 4.149 1.00 0.00 C ATOM 1182 CD GLN A 81 59.097 6.658 3.240 1.00 0.00 C ATOM 1183 OE1 GLN A 81 58.078 7.230 2.909 1.00 0.00 O ATOM 1184 NE2 GLN A 81 60.254 7.089 2.820 1.00 0.00 N ATOM 0 H GLN A 81 61.614 6.096 6.644 1.00 0.00 H new ATOM 0 HA GLN A 81 60.369 7.340 5.060 1.00 0.00 H new ATOM 0 HB2 GLN A 81 59.006 5.025 6.272 1.00 0.00 H new ATOM 0 HB3 GLN A 81 57.815 6.201 5.753 1.00 0.00 H new ATOM 0 HG2 GLN A 81 59.961 4.852 4.056 1.00 0.00 H new ATOM 0 HG3 GLN A 81 58.223 4.775 3.842 1.00 0.00 H new ATOM 0 HE21 GLN A 81 61.109 6.608 3.099 1.00 0.00 H new ATOM 0 HE22 GLN A 81 60.304 7.907 2.213 1.00 0.00 H new ATOM 1193 N LYS A 82 57.923 8.519 5.904 1.00 0.00 N ATOM 1194 CA LYS A 82 57.135 9.692 6.382 1.00 0.00 C ATOM 1195 C LYS A 82 56.930 9.608 7.898 1.00 0.00 C ATOM 1196 O LYS A 82 56.708 8.512 8.387 1.00 0.00 O ATOM 1197 CB LYS A 82 55.797 9.589 5.651 1.00 0.00 C ATOM 1198 CG LYS A 82 54.994 10.873 5.872 1.00 0.00 C ATOM 1199 CD LYS A 82 54.820 11.601 4.538 1.00 0.00 C ATOM 1200 CE LYS A 82 56.193 11.868 3.920 1.00 0.00 C ATOM 1201 NZ LYS A 82 55.912 12.643 2.680 1.00 0.00 N ATOM 1202 OXT LYS A 82 56.998 10.642 8.543 1.00 0.00 O ATOM 0 H LYS A 82 57.507 8.003 5.129 1.00 0.00 H new ATOM 0 HA LYS A 82 57.637 10.639 6.183 1.00 0.00 H new ATOM 0 HB2 LYS A 82 55.964 9.431 4.586 1.00 0.00 H new ATOM 0 HB3 LYS A 82 55.236 8.729 6.017 1.00 0.00 H new ATOM 0 HG2 LYS A 82 54.020 10.636 6.299 1.00 0.00 H new ATOM 0 HG3 LYS A 82 55.507 11.517 6.586 1.00 0.00 H new ATOM 0 HD2 LYS A 82 54.215 11.000 3.860 1.00 0.00 H new ATOM 0 HD3 LYS A 82 54.289 12.541 4.691 1.00 0.00 H new ATOM 0 HE2 LYS A 82 56.830 12.431 4.602 1.00 0.00 H new ATOM 0 HE3 LYS A 82 56.712 10.937 3.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 56.807 12.865 2.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 55.309 12.079 2.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 55.423 13.527 2.927 1.00 0.00 H new TER 1216 LYS A 82 HETATM 1217 FE HEM A 83 63.630 -1.518 -3.626 1.00 0.00 FE HETATM 1218 CHA HEM A 83 63.159 -4.213 -1.678 1.00 0.00 C HETATM 1219 CHB HEM A 83 65.114 0.130 -1.044 1.00 0.00 C HETATM 1220 CHC HEM A 83 64.510 0.955 -5.728 1.00 0.00 C HETATM 1221 CHD HEM A 83 62.010 -3.086 -6.148 1.00 0.00 C HETATM 1222 NA HEM A 83 64.046 -1.948 -1.774 1.00 0.00 N HETATM 1223 C1A HEM A 83 63.877 -3.165 -1.167 1.00 0.00 C HETATM 1224 C2A HEM A 83 64.571 -3.242 0.073 1.00 0.00 C HETATM 1225 C3A HEM A 83 64.995 -1.981 0.341 1.00 0.00 C HETATM 1226 C4A HEM A 83 64.685 -1.175 -0.827 1.00 0.00 C HETATM 1227 CMA HEM A 83 65.635 -1.500 1.627 1.00 0.00 C HETATM 1228 CAA HEM A 83 64.959 -4.569 0.707 1.00 0.00 C HETATM 1229 CBA HEM A 83 65.472 -5.546 -0.363 1.00 0.00 C HETATM 1230 CGA HEM A 83 66.433 -6.548 0.280 1.00 0.00 C HETATM 1231 O1A HEM A 83 66.844 -7.469 -0.408 1.00 0.00 O HETATM 1232 O2A HEM A 83 66.741 -6.380 1.448 1.00 0.00 O HETATM 1233 NB HEM A 83 64.575 0.182 -3.422 1.00 0.00 N HETATM 1234 C1B HEM A 83 65.086 0.759 -2.277 1.00 0.00 C HETATM 1235 C2B HEM A 83 65.730 2.029 -2.576 1.00 0.00 C HETATM 1236 C3B HEM A 83 65.638 2.196 -3.914 1.00 0.00 C HETATM 1237 C4B HEM A 83 64.897 1.072 -4.416 1.00 0.00 C HETATM 1238 CMB HEM A 83 66.355 2.991 -1.580 1.00 0.00 C HETATM 1239 CAB HEM A 83 66.204 3.285 -4.836 1.00 0.00 C HETATM 1240 CBB HEM A 83 67.682 3.037 -5.143 1.00 0.00 C HETATM 1241 NC HEM A 83 63.320 -1.138 -5.513 1.00 0.00 N HETATM 1242 C1C HEM A 83 63.761 -0.067 -6.244 1.00 0.00 C HETATM 1243 C2C HEM A 83 63.284 -0.117 -7.608 1.00 0.00 C HETATM 1244 C3C HEM A 83 62.540 -1.235 -7.699 1.00 0.00 C HETATM 1245 C4C HEM A 83 62.595 -1.875 -6.414 1.00 0.00 C HETATM 1246 CMC HEM A 83 63.537 0.909 -8.699 1.00 0.00 C HETATM 1247 CAC HEM A 83 61.626 -1.693 -8.829 1.00 0.00 C HETATM 1248 CBC HEM A 83 62.364 -1.869 -10.156 1.00 0.00 C HETATM 1249 ND HEM A 83 62.726 -3.245 -3.843 1.00 0.00 N HETATM 1250 C1D HEM A 83 62.074 -3.735 -4.948 1.00 0.00 C HETATM 1251 C2D HEM A 83 61.535 -5.054 -4.709 1.00 0.00 C HETATM 1252 C3D HEM A 83 61.864 -5.377 -3.445 1.00 0.00 C HETATM 1253 C4D HEM A 83 62.608 -4.255 -2.923 1.00 0.00 C HETATM 1254 CMD HEM A 83 60.748 -5.907 -5.691 1.00 0.00 C HETATM 1255 CAD HEM A 83 61.506 -6.658 -2.709 1.00 0.00 C HETATM 1256 CBD HEM A 83 62.418 -7.810 -3.136 1.00 0.00 C HETATM 1257 CGD HEM A 83 61.624 -9.118 -3.134 1.00 0.00 C HETATM 1258 O1D HEM A 83 62.248 -10.166 -3.126 1.00 0.00 O HETATM 1259 O2D HEM A 83 60.406 -9.048 -3.141 1.00 0.00 O HETATM 0 HMA1 HEM A 83 66.296 -0.661 1.412 1.00 0.00 H new HETATM 0 HMA2 HEM A 83 66.211 -2.311 2.072 1.00 0.00 H new HETATM 0 HMA3 HEM A 83 64.859 -1.182 2.323 1.00 0.00 H new HETATM 0 HMB1 HEM A 83 67.173 3.529 -2.058 1.00 0.00 H new HETATM 0 HMB2 HEM A 83 66.738 2.432 -0.726 1.00 0.00 H new HETATM 0 HMB3 HEM A 83 65.603 3.703 -1.240 1.00 0.00 H new HETATM 0 HMC1 HEM A 83 63.545 0.413 -9.670 1.00 0.00 H new HETATM 0 HMC2 HEM A 83 64.500 1.390 -8.530 1.00 0.00 H new HETATM 0 HMC3 HEM A 83 62.748 1.661 -8.682 1.00 0.00 H new HETATM 0 HMD1 HEM A 83 60.192 -5.261 -6.370 1.00 0.00 H new HETATM 0 HMD2 HEM A 83 60.052 -6.543 -5.144 1.00 0.00 H new HETATM 0 HMD3 HEM A 83 61.435 -6.530 -6.264 1.00 0.00 H new HETATM 0 HBB1 HEM A 83 68.228 3.726 -5.787 1.00 0.00 H new HETATM 0 HBB2 HEM A 83 68.189 2.171 -4.718 1.00 0.00 H new HETATM 0 HBC1 HEM A 83 61.820 -2.194 -11.043 1.00 0.00 H new HETATM 0 HBC2 HEM A 83 63.434 -1.670 -10.215 1.00 0.00 H new HETATM 0 HBA1 HEM A 83 65.979 -4.998 -1.158 1.00 0.00 H new HETATM 0 HBA2 HEM A 83 64.635 -6.072 -0.822 1.00 0.00 H new HETATM 0 HAA1 HEM A 83 64.099 -5.000 1.219 1.00 0.00 H new HETATM 0 HAA2 HEM A 83 65.730 -4.407 1.460 1.00 0.00 H new HETATM 0 HBD1 HEM A 83 63.267 -7.887 -2.457 1.00 0.00 H new HETATM 0 HBD2 HEM A 83 62.822 -7.619 -4.130 1.00 0.00 H new HETATM 0 HAD1 HEM A 83 60.467 -6.919 -2.910 1.00 0.00 H new HETATM 0 HAD2 HEM A 83 61.593 -6.500 -1.634 1.00 0.00 H new HETATM 0 HHA HEM A 83 63.018 -5.075 -1.043 1.00 0.00 H new HETATM 0 HHB HEM A 83 65.492 0.687 -0.199 1.00 0.00 H new HETATM 0 HHC HEM A 83 64.822 1.733 -6.408 1.00 0.00 H new HETATM 0 HHD HEM A 83 61.458 -3.561 -6.946 1.00 0.00 H new HETATM 0 HAB HEM A 83 65.628 4.126 -5.222 1.00 0.00 H new HETATM 0 HAC HEM A 83 60.559 -1.876 -8.704 1.00 0.00 H new