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= -5.15! C(o=-6.8!,f=-13!) USER MOD Set 1.2: A 27 TYR OH : rot 166:sc= -1.68! USER MOD Single : A 1 GLU N :NH3+ 147:sc= -0.159 (180deg=-1.55!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -6.94! C(o=-6.9!,f=-9.6!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 143:sc= -1.29 (180deg=-5.45!) USER MOD Single : A 20 THR OG1 : rot 160:sc= -5.25! USER MOD Single : A 21 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.311) USER MOD Single : A 22 MET CE :methyl 156:sc= -0.283 (180deg=-1.37!) USER MOD Single : A 28 LYS NZ :NH3+ 159:sc= -0.12 (180deg=-0.774) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.507 K(o=-0.51,f=-3.6!) USER MOD Single : A 43 TYR OH : rot 180:sc=-0.000377 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= 0 X(o=0,f=-0.062) USER MOD Single : A 52 SER OG : rot 72:sc= 0.597 USER MOD Single : A 53 GLN : amide:sc= -2.18! C(o=-2.2!,f=-2.9!) USER MOD Single : A 61 MET CE :methyl -113:sc= -7.5! (180deg=-11.5!) USER MOD Single : A 64 ASN :FLIP amide:sc= -4.38! C(o=-5.8!,f=-4.4!) USER MOD Single : A 67 SER OG : rot 180:sc= 0.0901 USER MOD Single : A 72 GLN : amide:sc= -0.819 K(o=-0.82,f=-2.3!) 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= -6.88! C(o=-6.9!,f=-9.5!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HEM CMA :methyl -30:sc= -20! (180deg=-29.9!) USER MOD Single : A 83 HEM CMB :methyl 150:sc= -6.96! (180deg=-6.96!) USER MOD Single : A 83 HEM CMC :methyl -30:sc= -0.0211 (180deg=-0.861) USER MOD Single : A 83 HEM CMD :methyl 150:sc= -2.65! (180deg=-2.65!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 70.269 17.764 0.551 1.00 0.00 N ATOM 2 CA GLU A 1 69.495 16.714 -0.171 1.00 0.00 C ATOM 3 C GLU A 1 68.869 15.736 0.825 1.00 0.00 C ATOM 4 O GLU A 1 69.551 14.949 1.450 1.00 0.00 O ATOM 5 CB GLU A 1 70.520 15.997 -1.049 1.00 0.00 C ATOM 6 CG GLU A 1 71.741 15.621 -0.207 1.00 0.00 C ATOM 7 CD GLU A 1 72.239 14.235 -0.619 1.00 0.00 C ATOM 8 OE1 GLU A 1 73.046 14.163 -1.532 1.00 0.00 O ATOM 9 OE2 GLU A 1 71.805 13.268 -0.016 1.00 0.00 O ATOM 0 H1 GLU A 1 71.087 18.049 -0.024 1.00 0.00 H new ATOM 0 H2 GLU A 1 69.660 18.590 0.720 1.00 0.00 H new ATOM 0 H3 GLU A 1 70.601 17.386 1.462 1.00 0.00 H new ATOM 0 HA GLU A 1 68.679 17.137 -0.757 1.00 0.00 H new ATOM 0 HB2 GLU A 1 70.077 15.102 -1.486 1.00 0.00 H new ATOM 0 HB3 GLU A 1 70.820 16.641 -1.876 1.00 0.00 H new ATOM 0 HG2 GLU A 1 72.532 16.359 -0.344 1.00 0.00 H new ATOM 0 HG3 GLU A 1 71.481 15.626 0.852 1.00 0.00 H new ATOM 18 N ASP A 2 67.574 15.780 0.976 1.00 0.00 N ATOM 19 CA ASP A 2 66.903 14.852 1.929 1.00 0.00 C ATOM 20 C ASP A 2 66.800 13.452 1.313 1.00 0.00 C ATOM 21 O ASP A 2 66.950 13.294 0.118 1.00 0.00 O ATOM 22 CB ASP A 2 65.514 15.452 2.144 1.00 0.00 C ATOM 23 CG ASP A 2 65.636 16.734 2.971 1.00 0.00 C ATOM 24 OD1 ASP A 2 66.717 16.987 3.477 1.00 0.00 O ATOM 25 OD2 ASP A 2 64.648 17.439 3.083 1.00 0.00 O ATOM 0 H ASP A 2 66.952 16.418 0.481 1.00 0.00 H new ATOM 0 HA ASP A 2 67.450 14.746 2.866 1.00 0.00 H new ATOM 0 HB2 ASP A 2 65.047 15.669 1.183 1.00 0.00 H new ATOM 0 HB3 ASP A 2 64.872 14.736 2.656 1.00 0.00 H new ATOM 30 N PRO A 3 66.549 12.473 2.148 1.00 0.00 N ATOM 31 CA PRO A 3 66.431 11.077 1.667 1.00 0.00 C ATOM 32 C PRO A 3 65.303 10.967 0.644 1.00 0.00 C ATOM 33 O PRO A 3 65.342 10.149 -0.250 1.00 0.00 O ATOM 34 CB PRO A 3 66.103 10.304 2.948 1.00 0.00 C ATOM 35 CG PRO A 3 66.044 11.299 4.124 1.00 0.00 C ATOM 36 CD PRO A 3 66.369 12.705 3.600 1.00 0.00 C ATOM 0 HA PRO A 3 67.324 10.703 1.165 1.00 0.00 H new ATOM 0 HB2 PRO A 3 65.150 9.786 2.843 1.00 0.00 H new ATOM 0 HB3 PRO A 3 66.861 9.543 3.135 1.00 0.00 H new ATOM 0 HG2 PRO A 3 65.054 11.286 4.580 1.00 0.00 H new ATOM 0 HG3 PRO A 3 66.755 11.011 4.898 1.00 0.00 H new ATOM 0 HD2 PRO A 3 65.562 13.410 3.801 1.00 0.00 H new ATOM 0 HD3 PRO A 3 67.269 13.112 4.061 1.00 0.00 H new ATOM 44 N GLU A 4 64.308 11.799 0.757 1.00 0.00 N ATOM 45 CA GLU A 4 63.197 11.752 -0.227 1.00 0.00 C ATOM 46 C GLU A 4 63.717 12.242 -1.579 1.00 0.00 C ATOM 47 O GLU A 4 63.285 11.798 -2.626 1.00 0.00 O ATOM 48 CB GLU A 4 62.128 12.695 0.330 1.00 0.00 C ATOM 49 CG GLU A 4 62.692 14.113 0.424 1.00 0.00 C ATOM 50 CD GLU A 4 62.337 14.885 -0.846 1.00 0.00 C ATOM 51 OE1 GLU A 4 62.088 14.243 -1.854 1.00 0.00 O ATOM 52 OE2 GLU A 4 62.320 16.104 -0.791 1.00 0.00 O ATOM 0 H GLU A 4 64.217 12.507 1.486 1.00 0.00 H new ATOM 0 HA GLU A 4 62.794 10.750 -0.374 1.00 0.00 H new ATOM 0 HB2 GLU A 4 61.249 12.685 -0.314 1.00 0.00 H new ATOM 0 HB3 GLU A 4 61.806 12.355 1.314 1.00 0.00 H new ATOM 0 HG2 GLU A 4 62.284 14.621 1.298 1.00 0.00 H new ATOM 0 HG3 GLU A 4 63.774 14.078 0.551 1.00 0.00 H new ATOM 59 N VAL A 5 64.665 13.141 -1.560 1.00 0.00 N ATOM 60 CA VAL A 5 65.240 13.649 -2.836 1.00 0.00 C ATOM 61 C VAL A 5 66.078 12.548 -3.482 1.00 0.00 C ATOM 62 O VAL A 5 65.815 12.118 -4.588 1.00 0.00 O ATOM 63 CB VAL A 5 66.123 14.832 -2.435 1.00 0.00 C ATOM 64 CG1 VAL A 5 66.906 15.319 -3.653 1.00 0.00 C ATOM 65 CG2 VAL A 5 65.246 15.970 -1.908 1.00 0.00 C ATOM 0 H VAL A 5 65.066 13.545 -0.713 1.00 0.00 H new ATOM 0 HA VAL A 5 64.476 13.947 -3.554 1.00 0.00 H new ATOM 0 HB VAL A 5 66.818 14.517 -1.656 1.00 0.00 H new ATOM 0 HG11 VAL A 5 67.535 16.162 -3.368 1.00 0.00 H new ATOM 0 HG12 VAL A 5 67.532 14.510 -4.030 1.00 0.00 H new ATOM 0 HG13 VAL A 5 66.210 15.633 -4.431 1.00 0.00 H new ATOM 0 HG21 VAL A 5 65.876 16.812 -1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 5 64.551 16.284 -2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 5 64.686 15.625 -1.039 1.00 0.00 H new ATOM 75 N LEU A 6 67.079 12.079 -2.791 1.00 0.00 N ATOM 76 CA LEU A 6 67.926 10.990 -3.361 1.00 0.00 C ATOM 77 C LEU A 6 67.070 9.745 -3.593 1.00 0.00 C ATOM 78 O LEU A 6 67.404 8.885 -4.386 1.00 0.00 O ATOM 79 CB LEU A 6 69.020 10.709 -2.322 1.00 0.00 C ATOM 80 CG LEU A 6 68.444 10.741 -0.904 1.00 0.00 C ATOM 81 CD1 LEU A 6 68.749 9.416 -0.203 1.00 0.00 C ATOM 82 CD2 LEU A 6 69.092 11.891 -0.128 1.00 0.00 C ATOM 0 H LEU A 6 67.348 12.399 -1.861 1.00 0.00 H new ATOM 0 HA LEU A 6 68.364 11.273 -4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 6 69.469 9.735 -2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 6 69.814 11.450 -2.414 1.00 0.00 H new ATOM 0 HG LEU A 6 67.365 10.888 -0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 6 68.340 9.436 0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 6 68.297 8.596 -0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 6 69.828 9.270 -0.155 1.00 0.00 H new ATOM 0 HD21 LEU A 6 68.687 11.921 0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 6 70.170 11.738 -0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 6 68.881 12.834 -0.631 1.00 0.00 H new ATOM 94 N ALA A 7 65.962 9.647 -2.912 1.00 0.00 N ATOM 95 CA ALA A 7 65.077 8.465 -3.095 1.00 0.00 C ATOM 96 C ALA A 7 64.308 8.595 -4.410 1.00 0.00 C ATOM 97 O ALA A 7 63.963 7.615 -5.038 1.00 0.00 O ATOM 98 CB ALA A 7 64.120 8.496 -1.902 1.00 0.00 C ATOM 0 H ALA A 7 65.632 10.336 -2.236 1.00 0.00 H new ATOM 0 HA ALA A 7 65.633 7.528 -3.140 1.00 0.00 H new ATOM 0 HB1 ALA A 7 63.433 7.652 -1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 7 64.691 8.431 -0.976 1.00 0.00 H new ATOM 0 HB3 ALA A 7 63.554 9.427 -1.914 1.00 0.00 H new ATOM 104 N LYS A 8 64.043 9.800 -4.836 1.00 0.00 N ATOM 105 CA LYS A 8 63.307 9.990 -6.118 1.00 0.00 C ATOM 106 C LYS A 8 64.295 9.998 -7.287 1.00 0.00 C ATOM 107 O LYS A 8 63.959 9.650 -8.402 1.00 0.00 O ATOM 108 CB LYS A 8 62.620 11.349 -5.988 1.00 0.00 C ATOM 109 CG LYS A 8 61.152 11.219 -6.402 1.00 0.00 C ATOM 110 CD LYS A 8 60.877 12.126 -7.603 1.00 0.00 C ATOM 111 CE LYS A 8 59.632 12.973 -7.329 1.00 0.00 C ATOM 112 NZ LYS A 8 59.186 13.442 -8.670 1.00 0.00 N ATOM 0 H LYS A 8 64.304 10.660 -4.353 1.00 0.00 H new ATOM 0 HA LYS A 8 62.589 9.192 -6.307 1.00 0.00 H new ATOM 0 HB2 LYS A 8 62.689 11.707 -4.961 1.00 0.00 H new ATOM 0 HB3 LYS A 8 63.123 12.084 -6.616 1.00 0.00 H new ATOM 0 HG2 LYS A 8 60.925 10.183 -6.656 1.00 0.00 H new ATOM 0 HG3 LYS A 8 60.503 11.493 -5.570 1.00 0.00 H new ATOM 0 HD2 LYS A 8 61.735 12.772 -7.789 1.00 0.00 H new ATOM 0 HD3 LYS A 8 60.730 11.525 -8.500 1.00 0.00 H new ATOM 0 HE2 LYS A 8 58.856 12.387 -6.837 1.00 0.00 H new ATOM 0 HE3 LYS A 8 59.862 13.813 -6.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 58.335 14.031 -8.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 59.943 14.002 -9.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 58.968 12.621 -9.270 1.00 0.00 H new ATOM 126 N ASN A 9 65.512 10.401 -7.038 1.00 0.00 N ATOM 127 CA ASN A 9 66.527 10.440 -8.132 1.00 0.00 C ATOM 128 C ASN A 9 66.957 9.019 -8.510 1.00 0.00 C ATOM 129 O ASN A 9 67.156 8.711 -9.668 1.00 0.00 O ATOM 130 CB ASN A 9 67.713 11.221 -7.556 1.00 0.00 C ATOM 131 CG ASN A 9 67.200 12.410 -6.740 1.00 0.00 C ATOM 132 OD1 ASN A 9 67.895 12.919 -5.883 1.00 0.00 O ATOM 133 ND2 ASN A 9 66.005 12.880 -6.976 1.00 0.00 N ATOM 0 H ASN A 9 65.848 10.705 -6.124 1.00 0.00 H new ATOM 0 HA ASN A 9 66.134 10.906 -9.036 1.00 0.00 H new ATOM 0 HB2 ASN A 9 68.318 10.569 -6.926 1.00 0.00 H new ATOM 0 HB3 ASN A 9 68.356 11.572 -8.363 1.00 0.00 H new ATOM 0 HD21 ASN A 9 65.655 13.675 -6.441 1.00 0.00 H new ATOM 0 HD22 ASN A 9 65.422 12.453 -7.695 1.00 0.00 H new ATOM 140 N LYS A 10 67.097 8.147 -7.547 1.00 0.00 N ATOM 141 CA LYS A 10 67.508 6.753 -7.872 1.00 0.00 C ATOM 142 C LYS A 10 66.289 5.927 -8.293 1.00 0.00 C ATOM 143 O LYS A 10 66.406 4.785 -8.690 1.00 0.00 O ATOM 144 CB LYS A 10 68.123 6.200 -6.587 1.00 0.00 C ATOM 145 CG LYS A 10 69.630 6.468 -6.594 1.00 0.00 C ATOM 146 CD LYS A 10 69.956 7.605 -5.630 1.00 0.00 C ATOM 147 CE LYS A 10 71.065 8.475 -6.223 1.00 0.00 C ATOM 148 NZ LYS A 10 70.972 9.765 -5.486 1.00 0.00 N ATOM 0 H LYS A 10 66.945 8.339 -6.557 1.00 0.00 H new ATOM 0 HA LYS A 10 68.215 6.716 -8.701 1.00 0.00 H new ATOM 0 HB2 LYS A 10 67.662 6.669 -5.718 1.00 0.00 H new ATOM 0 HB3 LYS A 10 67.932 5.130 -6.510 1.00 0.00 H new ATOM 0 HG2 LYS A 10 70.170 5.567 -6.304 1.00 0.00 H new ATOM 0 HG3 LYS A 10 69.958 6.727 -7.601 1.00 0.00 H new ATOM 0 HD2 LYS A 10 69.066 8.207 -5.447 1.00 0.00 H new ATOM 0 HD3 LYS A 10 70.271 7.201 -4.668 1.00 0.00 H new ATOM 0 HE2 LYS A 10 72.043 8.013 -6.090 1.00 0.00 H new ATOM 0 HE3 LYS A 10 70.924 8.620 -7.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 71.702 10.418 -5.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 70.032 10.184 -5.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 71.117 9.596 -4.470 1.00 0.00 H new ATOM 162 N GLY A 11 65.122 6.503 -8.215 1.00 0.00 N ATOM 163 CA GLY A 11 63.894 5.760 -8.619 1.00 0.00 C ATOM 164 C GLY A 11 63.405 4.888 -7.461 1.00 0.00 C ATOM 165 O GLY A 11 62.635 3.968 -7.652 1.00 0.00 O ATOM 0 H GLY A 11 64.965 7.457 -7.889 1.00 0.00 H new ATOM 0 HA2 GLY A 11 63.113 6.463 -8.911 1.00 0.00 H new ATOM 0 HA3 GLY A 11 64.105 5.138 -9.489 1.00 0.00 H new ATOM 169 N CYS A 12 63.841 5.162 -6.260 1.00 0.00 N ATOM 170 CA CYS A 12 63.386 4.334 -5.104 1.00 0.00 C ATOM 171 C CYS A 12 61.873 4.483 -4.901 1.00 0.00 C ATOM 172 O CYS A 12 61.187 3.539 -4.569 1.00 0.00 O ATOM 173 CB CYS A 12 64.134 4.881 -3.885 1.00 0.00 C ATOM 174 SG CYS A 12 65.903 5.042 -4.245 1.00 0.00 S ATOM 0 H CYS A 12 64.487 5.917 -6.030 1.00 0.00 H new ATOM 0 HA CYS A 12 63.589 3.275 -5.266 1.00 0.00 H new ATOM 0 HB2 CYS A 12 63.724 5.851 -3.605 1.00 0.00 H new ATOM 0 HB3 CYS A 12 63.989 4.216 -3.034 1.00 0.00 H new ATOM 179 N MET A 13 61.353 5.665 -5.087 1.00 0.00 N ATOM 180 CA MET A 13 59.890 5.879 -4.896 1.00 0.00 C ATOM 181 C MET A 13 59.116 5.445 -6.142 1.00 0.00 C ATOM 182 O MET A 13 57.924 5.656 -6.248 1.00 0.00 O ATOM 183 CB MET A 13 59.746 7.384 -4.675 1.00 0.00 C ATOM 184 CG MET A 13 60.621 7.815 -3.497 1.00 0.00 C ATOM 185 SD MET A 13 59.588 8.608 -2.240 1.00 0.00 S ATOM 186 CE MET A 13 58.402 7.256 -2.036 1.00 0.00 C ATOM 0 H MET A 13 61.879 6.494 -5.364 1.00 0.00 H new ATOM 0 HA MET A 13 59.493 5.298 -4.064 1.00 0.00 H new ATOM 0 HB2 MET A 13 60.039 7.924 -5.575 1.00 0.00 H new ATOM 0 HB3 MET A 13 58.704 7.635 -4.478 1.00 0.00 H new ATOM 0 HG2 MET A 13 61.130 6.950 -3.072 1.00 0.00 H new ATOM 0 HG3 MET A 13 61.394 8.505 -3.837 1.00 0.00 H new ATOM 0 HE1 MET A 13 58.113 7.180 -0.988 1.00 0.00 H new ATOM 0 HE2 MET A 13 57.518 7.453 -2.642 1.00 0.00 H new ATOM 0 HE3 MET A 13 58.859 6.319 -2.355 1.00 0.00 H new ATOM 196 N ALA A 14 59.783 4.844 -7.088 1.00 0.00 N ATOM 197 CA ALA A 14 59.083 4.403 -8.325 1.00 0.00 C ATOM 198 C ALA A 14 58.498 3.001 -8.138 1.00 0.00 C ATOM 199 O ALA A 14 57.431 2.692 -8.631 1.00 0.00 O ATOM 200 CB ALA A 14 60.160 4.396 -9.410 1.00 0.00 C ATOM 0 H ALA A 14 60.782 4.640 -7.057 1.00 0.00 H new ATOM 0 HA ALA A 14 58.251 5.059 -8.581 1.00 0.00 H new ATOM 0 HB1 ALA A 14 59.721 4.080 -10.356 1.00 0.00 H new ATOM 0 HB2 ALA A 14 60.574 5.399 -9.518 1.00 0.00 H new ATOM 0 HB3 ALA A 14 60.954 3.704 -9.130 1.00 0.00 H new ATOM 206 N CYS A 15 59.188 2.150 -7.433 1.00 0.00 N ATOM 207 CA CYS A 15 58.674 0.768 -7.218 1.00 0.00 C ATOM 208 C CYS A 15 58.160 0.601 -5.785 1.00 0.00 C ATOM 209 O CYS A 15 57.444 -0.333 -5.482 1.00 0.00 O ATOM 210 CB CYS A 15 59.883 -0.139 -7.429 1.00 0.00 C ATOM 211 SG CYS A 15 60.297 -0.241 -9.190 1.00 0.00 S ATOM 0 H CYS A 15 60.087 2.351 -6.995 1.00 0.00 H new ATOM 0 HA CYS A 15 57.848 0.537 -7.891 1.00 0.00 H new ATOM 0 HB2 CYS A 15 60.736 0.246 -6.870 1.00 0.00 H new ATOM 0 HB3 CYS A 15 59.670 -1.135 -7.041 1.00 0.00 H new ATOM 216 N HIS A 16 58.539 1.474 -4.894 1.00 0.00 N ATOM 217 CA HIS A 16 58.088 1.326 -3.479 1.00 0.00 C ATOM 218 C HIS A 16 56.905 2.242 -3.162 1.00 0.00 C ATOM 219 O HIS A 16 56.531 3.099 -3.938 1.00 0.00 O ATOM 220 CB HIS A 16 59.294 1.723 -2.636 1.00 0.00 C ATOM 221 CG HIS A 16 60.186 0.529 -2.439 1.00 0.00 C ATOM 222 ND1 HIS A 16 59.709 -0.675 -1.942 1.00 0.00 N ATOM 223 CD2 HIS A 16 61.529 0.338 -2.662 1.00 0.00 C ATOM 224 CE1 HIS A 16 60.748 -1.527 -1.881 1.00 0.00 C ATOM 225 NE2 HIS A 16 61.879 -0.961 -2.306 1.00 0.00 N ATOM 0 H HIS A 16 59.137 2.279 -5.081 1.00 0.00 H new ATOM 0 HA HIS A 16 57.749 0.309 -3.280 1.00 0.00 H new ATOM 0 HB2 HIS A 16 59.846 2.525 -3.127 1.00 0.00 H new ATOM 0 HB3 HIS A 16 58.965 2.107 -1.670 1.00 0.00 H new ATOM 0 HD1 HIS A 16 58.746 -0.877 -1.672 1.00 0.00 H new ATOM 0 HD2 HIS A 16 62.208 1.081 -3.053 1.00 0.00 H new ATOM 0 HE1 HIS A 16 60.676 -2.546 -1.530 1.00 0.00 H new ATOM 233 N ALA A 17 56.324 2.057 -2.008 1.00 0.00 N ATOM 234 CA ALA A 17 55.167 2.897 -1.590 1.00 0.00 C ATOM 235 C ALA A 17 55.216 3.092 -0.069 1.00 0.00 C ATOM 236 O ALA A 17 55.171 2.143 0.683 1.00 0.00 O ATOM 237 CB ALA A 17 53.934 2.095 -2.004 1.00 0.00 C ATOM 0 H ALA A 17 56.606 1.350 -1.329 1.00 0.00 H new ATOM 0 HA ALA A 17 55.165 3.888 -2.043 1.00 0.00 H new ATOM 0 HB1 ALA A 17 53.034 2.645 -1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 17 53.949 1.935 -3.082 1.00 0.00 H new ATOM 0 HB3 ALA A 17 53.939 1.131 -1.494 1.00 0.00 H new ATOM 243 N ILE A 18 55.328 4.314 0.380 1.00 0.00 N ATOM 244 CA ILE A 18 55.409 4.585 1.849 1.00 0.00 C ATOM 245 C ILE A 18 54.493 3.647 2.634 1.00 0.00 C ATOM 246 O ILE A 18 54.790 3.267 3.746 1.00 0.00 O ATOM 247 CB ILE A 18 54.950 6.034 2.011 1.00 0.00 C ATOM 248 CG1 ILE A 18 55.940 6.967 1.310 1.00 0.00 C ATOM 249 CG2 ILE A 18 54.890 6.387 3.499 1.00 0.00 C ATOM 250 CD1 ILE A 18 55.318 7.495 0.016 1.00 0.00 C ATOM 0 H ILE A 18 55.367 5.144 -0.212 1.00 0.00 H new ATOM 0 HA ILE A 18 56.417 4.423 2.232 1.00 0.00 H new ATOM 0 HB ILE A 18 53.962 6.151 1.567 1.00 0.00 H new ATOM 0 HG12 ILE A 18 56.200 7.798 1.966 1.00 0.00 H new ATOM 0 HG13 ILE A 18 56.865 6.434 1.090 1.00 0.00 H new ATOM 0 HG21 ILE A 18 54.563 7.420 3.615 1.00 0.00 H new ATOM 0 HG22 ILE A 18 54.185 5.725 4.002 1.00 0.00 H new ATOM 0 HG23 ILE A 18 55.879 6.268 3.941 1.00 0.00 H new ATOM 0 HD11 ILE A 18 56.024 8.159 -0.482 1.00 0.00 H new ATOM 0 HD12 ILE A 18 55.081 6.659 -0.641 1.00 0.00 H new ATOM 0 HD13 ILE A 18 54.405 8.044 0.248 1.00 0.00 H new ATOM 262 N ASP A 19 53.380 3.273 2.076 1.00 0.00 N ATOM 263 CA ASP A 19 52.462 2.360 2.826 1.00 0.00 C ATOM 264 C ASP A 19 51.541 1.577 1.880 1.00 0.00 C ATOM 265 O ASP A 19 50.634 0.894 2.316 1.00 0.00 O ATOM 266 CB ASP A 19 51.641 3.281 3.729 1.00 0.00 C ATOM 267 CG ASP A 19 51.165 4.495 2.928 1.00 0.00 C ATOM 268 OD1 ASP A 19 50.105 4.408 2.331 1.00 0.00 O ATOM 269 OD2 ASP A 19 51.869 5.492 2.927 1.00 0.00 O ATOM 0 H ASP A 19 53.064 3.552 1.147 1.00 0.00 H new ATOM 0 HA ASP A 19 53.020 1.611 3.388 1.00 0.00 H new ATOM 0 HB2 ASP A 19 50.785 2.741 4.134 1.00 0.00 H new ATOM 0 HB3 ASP A 19 52.243 3.606 4.578 1.00 0.00 H new ATOM 274 N THR A 20 51.760 1.653 0.596 1.00 0.00 N ATOM 275 CA THR A 20 50.889 0.895 -0.349 1.00 0.00 C ATOM 276 C THR A 20 51.629 -0.344 -0.861 1.00 0.00 C ATOM 277 O THR A 20 52.729 -0.637 -0.438 1.00 0.00 O ATOM 278 CB THR A 20 50.592 1.859 -1.495 1.00 0.00 C ATOM 279 OG1 THR A 20 51.408 3.016 -1.372 1.00 0.00 O ATOM 280 CG2 THR A 20 49.117 2.263 -1.454 1.00 0.00 C ATOM 0 H THR A 20 52.500 2.204 0.161 1.00 0.00 H new ATOM 0 HA THR A 20 49.971 0.548 0.126 1.00 0.00 H new ATOM 0 HB THR A 20 50.807 1.368 -2.444 1.00 0.00 H new ATOM 0 HG1 THR A 20 51.463 3.471 -2.238 1.00 0.00 H new ATOM 0 HG21 THR A 20 48.905 2.951 -2.272 1.00 0.00 H new ATOM 0 HG22 THR A 20 48.494 1.375 -1.556 1.00 0.00 H new ATOM 0 HG23 THR A 20 48.900 2.751 -0.504 1.00 0.00 H new ATOM 288 N LYS A 21 51.034 -1.079 -1.761 1.00 0.00 N ATOM 289 CA LYS A 21 51.709 -2.298 -2.283 1.00 0.00 C ATOM 290 C LYS A 21 51.890 -2.207 -3.802 1.00 0.00 C ATOM 291 O LYS A 21 50.956 -2.376 -4.560 1.00 0.00 O ATOM 292 CB LYS A 21 50.777 -3.454 -1.920 1.00 0.00 C ATOM 293 CG LYS A 21 50.363 -3.337 -0.452 1.00 0.00 C ATOM 294 CD LYS A 21 51.557 -3.665 0.445 1.00 0.00 C ATOM 295 CE LYS A 21 51.594 -2.686 1.620 1.00 0.00 C ATOM 296 NZ LYS A 21 50.349 -2.963 2.389 1.00 0.00 N ATOM 0 H LYS A 21 50.113 -0.888 -2.155 1.00 0.00 H new ATOM 0 HA LYS A 21 52.705 -2.427 -1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 21 49.895 -3.438 -2.560 1.00 0.00 H new ATOM 0 HB3 LYS A 21 51.278 -4.407 -2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 21 50.005 -2.329 -0.244 1.00 0.00 H new ATOM 0 HG3 LYS A 21 49.539 -4.018 -0.241 1.00 0.00 H new ATOM 0 HD2 LYS A 21 51.480 -4.688 0.812 1.00 0.00 H new ATOM 0 HD3 LYS A 21 52.483 -3.600 -0.126 1.00 0.00 H new ATOM 0 HE2 LYS A 21 52.481 -2.840 2.235 1.00 0.00 H new ATOM 0 HE3 LYS A 21 51.622 -1.653 1.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 50.458 -2.614 3.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 49.547 -2.481 1.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 50.172 -3.988 2.406 1.00 0.00 H new ATOM 310 N MET A 22 53.090 -1.946 -4.253 1.00 0.00 N ATOM 311 CA MET A 22 53.334 -1.849 -5.722 1.00 0.00 C ATOM 312 C MET A 22 54.336 -2.928 -6.161 1.00 0.00 C ATOM 313 O MET A 22 54.009 -4.097 -6.219 1.00 0.00 O ATOM 314 CB MET A 22 53.907 -0.446 -5.934 1.00 0.00 C ATOM 315 CG MET A 22 52.766 0.571 -5.943 1.00 0.00 C ATOM 316 SD MET A 22 53.377 2.166 -5.341 1.00 0.00 S ATOM 317 CE MET A 22 54.860 2.248 -6.376 1.00 0.00 C ATOM 0 H MET A 22 53.911 -1.796 -3.667 1.00 0.00 H new ATOM 0 HA MET A 22 52.429 -2.006 -6.309 1.00 0.00 H new ATOM 0 HB2 MET A 22 54.616 -0.207 -5.141 1.00 0.00 H new ATOM 0 HB3 MET A 22 54.455 -0.403 -6.875 1.00 0.00 H new ATOM 0 HG2 MET A 22 52.368 0.679 -6.952 1.00 0.00 H new ATOM 0 HG3 MET A 22 51.948 0.222 -5.313 1.00 0.00 H new ATOM 0 HE1 MET A 22 55.161 3.288 -6.499 1.00 0.00 H new ATOM 0 HE2 MET A 22 55.667 1.690 -5.900 1.00 0.00 H new ATOM 0 HE3 MET A 22 54.646 1.815 -7.353 1.00 0.00 H new ATOM 327 N VAL A 23 55.554 -2.556 -6.463 1.00 0.00 N ATOM 328 CA VAL A 23 56.556 -3.575 -6.883 1.00 0.00 C ATOM 329 C VAL A 23 57.280 -4.121 -5.654 1.00 0.00 C ATOM 330 O VAL A 23 57.551 -5.301 -5.549 1.00 0.00 O ATOM 331 CB VAL A 23 57.529 -2.829 -7.796 1.00 0.00 C ATOM 332 CG1 VAL A 23 58.711 -3.741 -8.135 1.00 0.00 C ATOM 333 CG2 VAL A 23 56.810 -2.428 -9.085 1.00 0.00 C ATOM 0 H VAL A 23 55.894 -1.595 -6.436 1.00 0.00 H new ATOM 0 HA VAL A 23 56.100 -4.424 -7.393 1.00 0.00 H new ATOM 0 HB VAL A 23 57.893 -1.936 -7.288 1.00 0.00 H new ATOM 0 HG11 VAL A 23 59.405 -3.210 -8.786 1.00 0.00 H new ATOM 0 HG12 VAL A 23 59.223 -4.030 -7.217 1.00 0.00 H new ATOM 0 HG13 VAL A 23 58.347 -4.634 -8.644 1.00 0.00 H new ATOM 0 HG21 VAL A 23 57.502 -1.896 -9.737 1.00 0.00 H new ATOM 0 HG22 VAL A 23 56.447 -3.322 -9.593 1.00 0.00 H new ATOM 0 HG23 VAL A 23 55.967 -1.780 -8.845 1.00 0.00 H new ATOM 343 N GLY A 24 57.585 -3.267 -4.719 1.00 0.00 N ATOM 344 CA GLY A 24 58.282 -3.722 -3.484 1.00 0.00 C ATOM 345 C GLY A 24 57.351 -3.519 -2.285 1.00 0.00 C ATOM 346 O GLY A 24 56.328 -2.875 -2.404 1.00 0.00 O ATOM 0 H GLY A 24 57.381 -2.268 -4.757 1.00 0.00 H new ATOM 0 HA2 GLY A 24 58.559 -4.773 -3.573 1.00 0.00 H new ATOM 0 HA3 GLY A 24 59.205 -3.160 -3.344 1.00 0.00 H new ATOM 350 N PRO A 25 57.729 -4.078 -1.163 1.00 0.00 N ATOM 351 CA PRO A 25 56.908 -3.956 0.064 1.00 0.00 C ATOM 352 C PRO A 25 56.874 -2.503 0.544 1.00 0.00 C ATOM 353 O PRO A 25 57.885 -1.830 0.586 1.00 0.00 O ATOM 354 CB PRO A 25 57.659 -4.845 1.059 1.00 0.00 C ATOM 355 CG PRO A 25 58.890 -5.445 0.355 1.00 0.00 C ATOM 356 CD PRO A 25 58.983 -4.858 -1.059 1.00 0.00 C ATOM 0 HA PRO A 25 55.867 -4.248 -0.074 1.00 0.00 H new ATOM 0 HB2 PRO A 25 57.967 -4.263 1.928 1.00 0.00 H new ATOM 0 HB3 PRO A 25 57.007 -5.639 1.422 1.00 0.00 H new ATOM 0 HG2 PRO A 25 59.795 -5.218 0.918 1.00 0.00 H new ATOM 0 HG3 PRO A 25 58.807 -6.531 0.309 1.00 0.00 H new ATOM 0 HD2 PRO A 25 59.864 -4.228 -1.180 1.00 0.00 H new ATOM 0 HD3 PRO A 25 59.041 -5.637 -1.819 1.00 0.00 H new ATOM 364 N ALA A 26 55.719 -2.013 0.909 1.00 0.00 N ATOM 365 CA ALA A 26 55.625 -0.604 1.387 1.00 0.00 C ATOM 366 C ALA A 26 56.794 -0.292 2.326 1.00 0.00 C ATOM 367 O ALA A 26 57.301 -1.159 3.010 1.00 0.00 O ATOM 368 CB ALA A 26 54.296 -0.527 2.139 1.00 0.00 C ATOM 0 H ALA A 26 54.838 -2.527 0.897 1.00 0.00 H new ATOM 0 HA ALA A 26 55.670 0.116 0.570 1.00 0.00 H new ATOM 0 HB1 ALA A 26 54.153 0.483 2.523 1.00 0.00 H new ATOM 0 HB2 ALA A 26 53.480 -0.776 1.461 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.306 -1.233 2.970 1.00 0.00 H new ATOM 374 N TYR A 27 57.227 0.939 2.364 1.00 0.00 N ATOM 375 CA TYR A 27 58.360 1.305 3.257 1.00 0.00 C ATOM 376 C TYR A 27 57.964 1.083 4.721 1.00 0.00 C ATOM 377 O TYR A 27 58.573 0.305 5.429 1.00 0.00 O ATOM 378 CB TYR A 27 58.606 2.788 2.974 1.00 0.00 C ATOM 379 CG TYR A 27 59.350 2.939 1.667 1.00 0.00 C ATOM 380 CD1 TYR A 27 60.424 2.092 1.369 1.00 0.00 C ATOM 381 CD2 TYR A 27 58.970 3.932 0.756 1.00 0.00 C ATOM 382 CE1 TYR A 27 61.117 2.237 0.162 1.00 0.00 C ATOM 383 CE2 TYR A 27 59.663 4.076 -0.452 1.00 0.00 C ATOM 384 CZ TYR A 27 60.737 3.229 -0.748 1.00 0.00 C ATOM 385 OH TYR A 27 61.419 3.372 -1.940 1.00 0.00 O ATOM 0 H TYR A 27 56.843 1.707 1.814 1.00 0.00 H new ATOM 0 HA TYR A 27 59.252 0.704 3.080 1.00 0.00 H new ATOM 0 HB2 TYR A 27 57.657 3.322 2.927 1.00 0.00 H new ATOM 0 HB3 TYR A 27 59.182 3.233 3.785 1.00 0.00 H new ATOM 0 HD1 TYR A 27 60.718 1.326 2.071 1.00 0.00 H new ATOM 0 HD2 TYR A 27 58.142 4.587 0.985 1.00 0.00 H new ATOM 0 HE1 TYR A 27 61.945 1.583 -0.067 1.00 0.00 H new ATOM 0 HE2 TYR A 27 59.369 4.841 -1.155 1.00 0.00 H new ATOM 0 HH TYR A 27 60.902 3.943 -2.546 1.00 0.00 H new ATOM 395 N LYS A 28 56.943 1.751 5.179 1.00 0.00 N ATOM 396 CA LYS A 28 56.509 1.561 6.592 1.00 0.00 C ATOM 397 C LYS A 28 56.426 0.068 6.901 1.00 0.00 C ATOM 398 O LYS A 28 56.928 -0.402 7.903 1.00 0.00 O ATOM 399 CB LYS A 28 55.124 2.205 6.676 1.00 0.00 C ATOM 400 CG LYS A 28 55.071 3.156 7.873 1.00 0.00 C ATOM 401 CD LYS A 28 54.598 2.391 9.110 1.00 0.00 C ATOM 402 CE LYS A 28 53.098 2.621 9.307 1.00 0.00 C ATOM 403 NZ LYS A 28 52.438 1.490 8.598 1.00 0.00 N ATOM 0 H LYS A 28 56.392 2.418 4.639 1.00 0.00 H new ATOM 0 HA LYS A 28 57.201 2.005 7.307 1.00 0.00 H new ATOM 0 HB2 LYS A 28 54.909 2.749 5.757 1.00 0.00 H new ATOM 0 HB3 LYS A 28 54.359 1.435 6.777 1.00 0.00 H new ATOM 0 HG2 LYS A 28 56.056 3.587 8.053 1.00 0.00 H new ATOM 0 HG3 LYS A 28 54.394 3.984 7.663 1.00 0.00 H new ATOM 0 HD2 LYS A 28 54.802 1.327 8.993 1.00 0.00 H new ATOM 0 HD3 LYS A 28 55.147 2.726 9.990 1.00 0.00 H new ATOM 0 HE2 LYS A 28 52.836 2.630 10.365 1.00 0.00 H new ATOM 0 HE3 LYS A 28 52.788 3.581 8.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 51.474 1.365 8.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 52.395 1.696 7.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 52.983 0.618 8.752 1.00 0.00 H new ATOM 417 N ASP A 29 55.801 -0.681 6.038 1.00 0.00 N ATOM 418 CA ASP A 29 55.687 -2.149 6.268 1.00 0.00 C ATOM 419 C ASP A 29 57.082 -2.767 6.413 1.00 0.00 C ATOM 420 O ASP A 29 57.303 -3.640 7.227 1.00 0.00 O ATOM 421 CB ASP A 29 54.987 -2.692 5.023 1.00 0.00 C ATOM 422 CG ASP A 29 53.475 -2.499 5.161 1.00 0.00 C ATOM 423 OD1 ASP A 29 52.959 -2.765 6.234 1.00 0.00 O ATOM 424 OD2 ASP A 29 52.859 -2.088 4.190 1.00 0.00 O ATOM 0 H ASP A 29 55.363 -0.341 5.182 1.00 0.00 H new ATOM 0 HA ASP A 29 55.137 -2.385 7.179 1.00 0.00 H new ATOM 0 HB2 ASP A 29 55.350 -2.176 4.134 1.00 0.00 H new ATOM 0 HB3 ASP A 29 55.219 -3.749 4.895 1.00 0.00 H new ATOM 429 N VAL A 30 58.025 -2.316 5.629 1.00 0.00 N ATOM 430 CA VAL A 30 59.406 -2.874 5.728 1.00 0.00 C ATOM 431 C VAL A 30 59.932 -2.708 7.152 1.00 0.00 C ATOM 432 O VAL A 30 60.637 -3.551 7.669 1.00 0.00 O ATOM 433 CB VAL A 30 60.245 -2.052 4.748 1.00 0.00 C ATOM 434 CG1 VAL A 30 61.717 -2.446 4.884 1.00 0.00 C ATOM 435 CG2 VAL A 30 59.775 -2.327 3.318 1.00 0.00 C ATOM 0 H VAL A 30 57.900 -1.587 4.926 1.00 0.00 H new ATOM 0 HA VAL A 30 59.440 -3.938 5.493 1.00 0.00 H new ATOM 0 HB VAL A 30 60.129 -0.991 4.971 1.00 0.00 H new ATOM 0 HG11 VAL A 30 62.316 -1.861 4.186 1.00 0.00 H new ATOM 0 HG12 VAL A 30 62.053 -2.252 5.902 1.00 0.00 H new ATOM 0 HG13 VAL A 30 61.832 -3.507 4.660 1.00 0.00 H new ATOM 0 HG21 VAL A 30 60.373 -1.741 2.620 1.00 0.00 H new ATOM 0 HG22 VAL A 30 59.891 -3.387 3.094 1.00 0.00 H new ATOM 0 HG23 VAL A 30 58.726 -2.048 3.220 1.00 0.00 H new ATOM 445 N ALA A 31 59.593 -1.622 7.790 1.00 0.00 N ATOM 446 CA ALA A 31 60.073 -1.396 9.183 1.00 0.00 C ATOM 447 C ALA A 31 59.223 -2.192 10.178 1.00 0.00 C ATOM 448 O ALA A 31 59.690 -2.596 11.224 1.00 0.00 O ATOM 449 CB ALA A 31 59.910 0.105 9.421 1.00 0.00 C ATOM 0 H ALA A 31 59.005 -0.882 7.408 1.00 0.00 H new ATOM 0 HA ALA A 31 61.104 -1.722 9.318 1.00 0.00 H new ATOM 0 HB1 ALA A 31 60.243 0.352 10.429 1.00 0.00 H new ATOM 0 HB2 ALA A 31 60.509 0.656 8.696 1.00 0.00 H new ATOM 0 HB3 ALA A 31 58.861 0.379 9.308 1.00 0.00 H new ATOM 455 N ALA A 32 57.979 -2.418 9.860 1.00 0.00 N ATOM 456 CA ALA A 32 57.098 -3.183 10.788 1.00 0.00 C ATOM 457 C ALA A 32 57.497 -4.662 10.807 1.00 0.00 C ATOM 458 O ALA A 32 57.241 -5.371 11.760 1.00 0.00 O ATOM 459 CB ALA A 32 55.688 -3.018 10.222 1.00 0.00 C ATOM 0 H ALA A 32 57.533 -2.106 8.997 1.00 0.00 H new ATOM 0 HA ALA A 32 57.173 -2.823 11.814 1.00 0.00 H new ATOM 0 HB1 ALA A 32 54.978 -3.554 10.852 1.00 0.00 H new ATOM 0 HB2 ALA A 32 55.426 -1.960 10.200 1.00 0.00 H new ATOM 0 HB3 ALA A 32 55.653 -3.422 9.210 1.00 0.00 H new ATOM 465 N LYS A 33 58.121 -5.132 9.763 1.00 0.00 N ATOM 466 CA LYS A 33 58.534 -6.562 9.723 1.00 0.00 C ATOM 467 C LYS A 33 59.943 -6.717 10.302 1.00 0.00 C ATOM 468 O LYS A 33 60.213 -7.623 11.065 1.00 0.00 O ATOM 469 CB LYS A 33 58.507 -6.944 8.241 1.00 0.00 C ATOM 470 CG LYS A 33 58.185 -8.433 8.104 1.00 0.00 C ATOM 471 CD LYS A 33 56.681 -8.648 8.277 1.00 0.00 C ATOM 472 CE LYS A 33 56.417 -10.094 8.704 1.00 0.00 C ATOM 473 NZ LYS A 33 55.042 -10.080 9.277 1.00 0.00 N ATOM 0 H LYS A 33 58.363 -4.587 8.935 1.00 0.00 H new ATOM 0 HA LYS A 33 57.878 -7.201 10.314 1.00 0.00 H new ATOM 0 HB2 LYS A 33 57.760 -6.350 7.715 1.00 0.00 H new ATOM 0 HB3 LYS A 33 59.470 -6.725 7.781 1.00 0.00 H new ATOM 0 HG2 LYS A 33 58.505 -8.797 7.128 1.00 0.00 H new ATOM 0 HG3 LYS A 33 58.733 -9.005 8.853 1.00 0.00 H new ATOM 0 HD2 LYS A 33 56.288 -7.959 9.025 1.00 0.00 H new ATOM 0 HD3 LYS A 33 56.162 -8.433 7.343 1.00 0.00 H new ATOM 0 HE2 LYS A 33 56.484 -10.775 7.856 1.00 0.00 H new ATOM 0 HE3 LYS A 33 57.148 -10.428 9.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 54.788 -11.038 9.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 55.010 -9.428 10.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 54.367 -9.764 8.552 1.00 0.00 H new ATOM 487 N TYR A 34 60.839 -5.834 9.954 1.00 0.00 N ATOM 488 CA TYR A 34 62.226 -5.929 10.493 1.00 0.00 C ATOM 489 C TYR A 34 62.334 -5.130 11.792 1.00 0.00 C ATOM 490 O TYR A 34 63.409 -4.926 12.319 1.00 0.00 O ATOM 491 CB TYR A 34 63.122 -5.318 9.415 1.00 0.00 C ATOM 492 CG TYR A 34 63.394 -6.347 8.343 1.00 0.00 C ATOM 493 CD1 TYR A 34 63.729 -7.658 8.701 1.00 0.00 C ATOM 494 CD2 TYR A 34 63.311 -5.988 6.993 1.00 0.00 C ATOM 495 CE1 TYR A 34 63.983 -8.610 7.708 1.00 0.00 C ATOM 496 CE2 TYR A 34 63.564 -6.941 6.000 1.00 0.00 C ATOM 497 CZ TYR A 34 63.900 -8.252 6.357 1.00 0.00 C ATOM 498 OH TYR A 34 64.149 -9.192 5.377 1.00 0.00 O ATOM 0 H TYR A 34 60.671 -5.052 9.321 1.00 0.00 H new ATOM 0 HA TYR A 34 62.511 -6.956 10.719 1.00 0.00 H new ATOM 0 HB2 TYR A 34 62.640 -4.443 8.980 1.00 0.00 H new ATOM 0 HB3 TYR A 34 64.060 -4.980 9.855 1.00 0.00 H new ATOM 0 HD1 TYR A 34 63.791 -7.934 9.743 1.00 0.00 H new ATOM 0 HD2 TYR A 34 63.052 -4.976 6.718 1.00 0.00 H new ATOM 0 HE1 TYR A 34 64.243 -9.621 7.984 1.00 0.00 H new ATOM 0 HE2 TYR A 34 63.500 -6.665 4.958 1.00 0.00 H new ATOM 0 HH TYR A 34 64.047 -8.779 4.494 1.00 0.00 H new ATOM 508 N ALA A 35 61.228 -4.672 12.312 1.00 0.00 N ATOM 509 CA ALA A 35 61.269 -3.882 13.578 1.00 0.00 C ATOM 510 C ALA A 35 61.967 -4.684 14.680 1.00 0.00 C ATOM 511 O ALA A 35 61.790 -5.880 14.797 1.00 0.00 O ATOM 512 CB ALA A 35 59.804 -3.636 13.940 1.00 0.00 C ATOM 0 H ALA A 35 60.298 -4.810 11.916 1.00 0.00 H new ATOM 0 HA ALA A 35 61.823 -2.950 13.465 1.00 0.00 H new ATOM 0 HB1 ALA A 35 59.749 -3.059 14.863 1.00 0.00 H new ATOM 0 HB2 ALA A 35 59.319 -3.082 13.136 1.00 0.00 H new ATOM 0 HB3 ALA A 35 59.298 -4.591 14.079 1.00 0.00 H new ATOM 518 N GLY A 36 62.759 -4.034 15.488 1.00 0.00 N ATOM 519 CA GLY A 36 63.467 -4.758 16.582 1.00 0.00 C ATOM 520 C GLY A 36 64.810 -5.281 16.069 1.00 0.00 C ATOM 521 O GLY A 36 65.652 -5.712 16.832 1.00 0.00 O ATOM 0 H GLY A 36 62.947 -3.033 15.438 1.00 0.00 H new ATOM 0 HA2 GLY A 36 63.625 -4.091 17.430 1.00 0.00 H new ATOM 0 HA3 GLY A 36 62.855 -5.587 16.938 1.00 0.00 H new ATOM 525 N GLN A 37 65.018 -5.247 14.781 1.00 0.00 N ATOM 526 CA GLN A 37 66.306 -5.742 14.217 1.00 0.00 C ATOM 527 C GLN A 37 67.487 -5.042 14.893 1.00 0.00 C ATOM 528 O GLN A 37 67.402 -3.893 15.278 1.00 0.00 O ATOM 529 CB GLN A 37 66.251 -5.388 12.730 1.00 0.00 C ATOM 530 CG GLN A 37 65.588 -6.530 11.957 1.00 0.00 C ATOM 531 CD GLN A 37 66.664 -7.375 11.274 1.00 0.00 C ATOM 532 OE1 GLN A 37 67.827 -7.023 11.283 1.00 0.00 O ATOM 533 NE2 GLN A 37 66.323 -8.485 10.675 1.00 0.00 N ATOM 0 H GLN A 37 64.350 -4.897 14.094 1.00 0.00 H new ATOM 0 HA GLN A 37 66.440 -6.812 14.376 1.00 0.00 H new ATOM 0 HB2 GLN A 37 65.691 -4.464 12.586 1.00 0.00 H new ATOM 0 HB3 GLN A 37 67.257 -5.213 12.349 1.00 0.00 H new ATOM 0 HG2 GLN A 37 65.000 -7.149 12.635 1.00 0.00 H new ATOM 0 HG3 GLN A 37 64.899 -6.129 11.214 1.00 0.00 H new ATOM 0 HE21 GLN A 37 65.347 -8.781 10.667 1.00 0.00 H new ATOM 0 HE22 GLN A 37 67.033 -9.055 10.215 1.00 0.00 H new ATOM 542 N ALA A 38 68.587 -5.728 15.041 1.00 0.00 N ATOM 543 CA ALA A 38 69.772 -5.107 15.692 1.00 0.00 C ATOM 544 C ALA A 38 70.652 -4.419 14.646 1.00 0.00 C ATOM 545 O ALA A 38 71.850 -4.613 14.604 1.00 0.00 O ATOM 546 CB ALA A 38 70.524 -6.269 16.341 1.00 0.00 C ATOM 0 H ALA A 38 68.715 -6.694 14.738 1.00 0.00 H new ATOM 0 HA ALA A 38 69.489 -4.346 16.420 1.00 0.00 H new ATOM 0 HB1 ALA A 38 71.414 -5.891 16.843 1.00 0.00 H new ATOM 0 HB2 ALA A 38 69.878 -6.760 17.069 1.00 0.00 H new ATOM 0 HB3 ALA A 38 70.817 -6.986 15.574 1.00 0.00 H new ATOM 552 N GLY A 39 70.066 -3.616 13.800 1.00 0.00 N ATOM 553 CA GLY A 39 70.870 -2.916 12.758 1.00 0.00 C ATOM 554 C GLY A 39 70.440 -3.391 11.369 1.00 0.00 C ATOM 555 O GLY A 39 71.250 -3.813 10.569 1.00 0.00 O ATOM 0 H GLY A 39 69.066 -3.415 13.785 1.00 0.00 H new ATOM 0 HA2 GLY A 39 70.733 -1.838 12.843 1.00 0.00 H new ATOM 0 HA3 GLY A 39 71.931 -3.115 12.909 1.00 0.00 H new ATOM 559 N ALA A 40 69.170 -3.325 11.075 1.00 0.00 N ATOM 560 CA ALA A 40 68.689 -3.773 9.735 1.00 0.00 C ATOM 561 C ALA A 40 69.080 -2.754 8.660 1.00 0.00 C ATOM 562 O ALA A 40 69.123 -3.067 7.488 1.00 0.00 O ATOM 563 CB ALA A 40 67.169 -3.857 9.866 1.00 0.00 C ATOM 0 H ALA A 40 68.444 -2.981 11.704 1.00 0.00 H new ATOM 0 HA ALA A 40 69.126 -4.727 9.440 1.00 0.00 H new ATOM 0 HB1 ALA A 40 66.739 -4.181 8.918 1.00 0.00 H new ATOM 0 HB2 ALA A 40 66.910 -4.573 10.646 1.00 0.00 H new ATOM 0 HB3 ALA A 40 66.772 -2.876 10.128 1.00 0.00 H new ATOM 569 N GLU A 41 69.368 -1.542 9.045 1.00 0.00 N ATOM 570 CA GLU A 41 69.756 -0.517 8.034 1.00 0.00 C ATOM 571 C GLU A 41 71.103 -0.885 7.407 1.00 0.00 C ATOM 572 O GLU A 41 71.425 -0.471 6.311 1.00 0.00 O ATOM 573 CB GLU A 41 69.869 0.791 8.817 1.00 0.00 C ATOM 574 CG GLU A 41 70.963 0.657 9.878 1.00 0.00 C ATOM 575 CD GLU A 41 70.398 1.023 11.252 1.00 0.00 C ATOM 576 OE1 GLU A 41 69.188 1.143 11.363 1.00 0.00 O ATOM 577 OE2 GLU A 41 71.184 1.177 12.172 1.00 0.00 O ATOM 0 H GLU A 41 69.352 -1.217 10.012 1.00 0.00 H new ATOM 0 HA GLU A 41 69.034 -0.442 7.221 1.00 0.00 H new ATOM 0 HB2 GLU A 41 70.102 1.613 8.141 1.00 0.00 H new ATOM 0 HB3 GLU A 41 68.916 1.028 9.290 1.00 0.00 H new ATOM 0 HG2 GLU A 41 71.346 -0.363 9.892 1.00 0.00 H new ATOM 0 HG3 GLU A 41 71.802 1.309 9.634 1.00 0.00 H new ATOM 584 N ALA A 42 71.892 -1.662 8.096 1.00 0.00 N ATOM 585 CA ALA A 42 73.217 -2.059 7.541 1.00 0.00 C ATOM 586 C ALA A 42 73.034 -3.076 6.412 1.00 0.00 C ATOM 587 O ALA A 42 73.424 -2.842 5.284 1.00 0.00 O ATOM 588 CB ALA A 42 73.965 -2.691 8.716 1.00 0.00 C ATOM 0 H ALA A 42 71.677 -2.039 9.019 1.00 0.00 H new ATOM 0 HA ALA A 42 73.759 -1.212 7.120 1.00 0.00 H new ATOM 0 HB1 ALA A 42 74.954 -3.011 8.388 1.00 0.00 H new ATOM 0 HB2 ALA A 42 74.068 -1.960 9.518 1.00 0.00 H new ATOM 0 HB3 ALA A 42 73.407 -3.553 9.081 1.00 0.00 H new ATOM 594 N TYR A 43 72.435 -4.198 6.701 1.00 0.00 N ATOM 595 CA TYR A 43 72.225 -5.214 5.632 1.00 0.00 C ATOM 596 C TYR A 43 71.270 -4.648 4.589 1.00 0.00 C ATOM 597 O TYR A 43 71.304 -5.016 3.433 1.00 0.00 O ATOM 598 CB TYR A 43 71.624 -6.424 6.351 1.00 0.00 C ATOM 599 CG TYR A 43 70.878 -7.297 5.369 1.00 0.00 C ATOM 600 CD1 TYR A 43 71.561 -8.283 4.649 1.00 0.00 C ATOM 601 CD2 TYR A 43 69.501 -7.122 5.182 1.00 0.00 C ATOM 602 CE1 TYR A 43 70.868 -9.094 3.742 1.00 0.00 C ATOM 603 CE2 TYR A 43 68.808 -7.933 4.275 1.00 0.00 C ATOM 604 CZ TYR A 43 69.492 -8.920 3.556 1.00 0.00 C ATOM 605 OH TYR A 43 68.810 -9.719 2.660 1.00 0.00 O ATOM 0 H TYR A 43 72.084 -4.454 7.624 1.00 0.00 H new ATOM 0 HA TYR A 43 73.141 -5.488 5.108 1.00 0.00 H new ATOM 0 HB2 TYR A 43 72.414 -6.999 6.833 1.00 0.00 H new ATOM 0 HB3 TYR A 43 70.948 -6.090 7.138 1.00 0.00 H new ATOM 0 HD1 TYR A 43 72.623 -8.419 4.793 1.00 0.00 H new ATOM 0 HD2 TYR A 43 68.973 -6.361 5.738 1.00 0.00 H new ATOM 0 HE1 TYR A 43 71.396 -9.854 3.186 1.00 0.00 H new ATOM 0 HE2 TYR A 43 67.746 -7.797 4.130 1.00 0.00 H new ATOM 0 HH TYR A 43 67.863 -9.468 2.653 1.00 0.00 H new ATOM 615 N LEU A 44 70.439 -3.729 4.985 1.00 0.00 N ATOM 616 CA LEU A 44 69.510 -3.113 4.007 1.00 0.00 C ATOM 617 C LEU A 44 70.332 -2.309 3.008 1.00 0.00 C ATOM 618 O LEU A 44 70.025 -2.243 1.836 1.00 0.00 O ATOM 619 CB LEU A 44 68.604 -2.199 4.835 1.00 0.00 C ATOM 620 CG LEU A 44 67.447 -3.015 5.412 1.00 0.00 C ATOM 621 CD1 LEU A 44 66.574 -2.113 6.287 1.00 0.00 C ATOM 622 CD2 LEU A 44 66.606 -3.588 4.270 1.00 0.00 C ATOM 0 H LEU A 44 70.364 -3.380 5.940 1.00 0.00 H new ATOM 0 HA LEU A 44 68.921 -3.841 3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 44 69.174 -1.737 5.641 1.00 0.00 H new ATOM 0 HB3 LEU A 44 68.219 -1.391 4.213 1.00 0.00 H new ATOM 0 HG LEU A 44 67.844 -3.832 6.015 1.00 0.00 H new ATOM 0 HD11 LEU A 44 65.749 -2.694 6.699 1.00 0.00 H new ATOM 0 HD12 LEU A 44 67.173 -1.706 7.101 1.00 0.00 H new ATOM 0 HD13 LEU A 44 66.177 -1.296 5.685 1.00 0.00 H new ATOM 0 HD21 LEU A 44 65.781 -4.170 4.682 1.00 0.00 H new ATOM 0 HD22 LEU A 44 66.209 -2.772 3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 44 67.228 -4.231 3.647 1.00 0.00 H new ATOM 634 N ALA A 45 71.397 -1.713 3.470 1.00 0.00 N ATOM 635 CA ALA A 45 72.262 -0.925 2.556 1.00 0.00 C ATOM 636 C ALA A 45 73.028 -1.867 1.625 1.00 0.00 C ATOM 637 O ALA A 45 73.322 -1.530 0.495 1.00 0.00 O ATOM 638 CB ALA A 45 73.225 -0.172 3.472 1.00 0.00 C ATOM 0 H ALA A 45 71.703 -1.740 4.443 1.00 0.00 H new ATOM 0 HA ALA A 45 71.691 -0.245 1.924 1.00 0.00 H new ATOM 0 HB1 ALA A 45 73.900 0.436 2.869 1.00 0.00 H new ATOM 0 HB2 ALA A 45 72.659 0.473 4.144 1.00 0.00 H new ATOM 0 HB3 ALA A 45 73.804 -0.886 4.057 1.00 0.00 H new ATOM 644 N GLN A 46 73.358 -3.045 2.086 1.00 0.00 N ATOM 645 CA GLN A 46 74.107 -3.989 1.206 1.00 0.00 C ATOM 646 C GLN A 46 73.180 -4.581 0.140 1.00 0.00 C ATOM 647 O GLN A 46 73.576 -4.781 -0.991 1.00 0.00 O ATOM 648 CB GLN A 46 74.633 -5.080 2.140 1.00 0.00 C ATOM 649 CG GLN A 46 75.519 -4.446 3.215 1.00 0.00 C ATOM 650 CD GLN A 46 76.951 -4.319 2.690 1.00 0.00 C ATOM 651 OE1 GLN A 46 77.761 -5.204 2.883 1.00 0.00 O ATOM 652 NE2 GLN A 46 77.300 -3.246 2.032 1.00 0.00 N ATOM 0 H GLN A 46 73.145 -3.391 3.022 1.00 0.00 H new ATOM 0 HA GLN A 46 74.917 -3.493 0.671 1.00 0.00 H new ATOM 0 HB2 GLN A 46 73.801 -5.609 2.605 1.00 0.00 H new ATOM 0 HB3 GLN A 46 75.202 -5.817 1.573 1.00 0.00 H new ATOM 0 HG2 GLN A 46 75.132 -3.464 3.487 1.00 0.00 H new ATOM 0 HG3 GLN A 46 75.505 -5.056 4.119 1.00 0.00 H new ATOM 0 HE21 GLN A 46 76.620 -2.503 1.870 1.00 0.00 H new ATOM 0 HE22 GLN A 46 78.253 -3.151 1.680 1.00 0.00 H new ATOM 661 N ARG A 47 71.951 -4.855 0.479 1.00 0.00 N ATOM 662 CA ARG A 47 71.019 -5.422 -0.537 1.00 0.00 C ATOM 663 C ARG A 47 70.400 -4.291 -1.353 1.00 0.00 C ATOM 664 O ARG A 47 69.838 -4.506 -2.409 1.00 0.00 O ATOM 665 CB ARG A 47 69.950 -6.164 0.262 1.00 0.00 C ATOM 666 CG ARG A 47 70.608 -7.258 1.105 1.00 0.00 C ATOM 667 CD ARG A 47 71.576 -8.062 0.234 1.00 0.00 C ATOM 668 NE ARG A 47 71.376 -9.481 0.641 1.00 0.00 N ATOM 669 CZ ARG A 47 72.277 -10.382 0.348 1.00 0.00 C ATOM 670 NH1 ARG A 47 73.357 -10.043 -0.303 1.00 0.00 N ATOM 671 NH2 ARG A 47 72.094 -11.624 0.706 1.00 0.00 N ATOM 0 H ARG A 47 71.553 -4.713 1.407 1.00 0.00 H new ATOM 0 HA ARG A 47 71.522 -6.088 -1.238 1.00 0.00 H new ATOM 0 HB2 ARG A 47 69.414 -5.467 0.906 1.00 0.00 H new ATOM 0 HB3 ARG A 47 69.216 -6.603 -0.413 1.00 0.00 H new ATOM 0 HG2 ARG A 47 71.142 -6.813 1.945 1.00 0.00 H new ATOM 0 HG3 ARG A 47 69.847 -7.916 1.524 1.00 0.00 H new ATOM 0 HD2 ARG A 47 71.362 -7.922 -0.826 1.00 0.00 H new ATOM 0 HD3 ARG A 47 72.607 -7.747 0.396 1.00 0.00 H new ATOM 0 HE ARG A 47 70.534 -9.750 1.150 1.00 0.00 H new ATOM 0 HH11 ARG A 47 73.500 -9.073 -0.584 1.00 0.00 H new ATOM 0 HH12 ARG A 47 74.058 -10.748 -0.530 1.00 0.00 H new ATOM 0 HH21 ARG A 47 71.250 -11.890 1.213 1.00 0.00 H new ATOM 0 HH22 ARG A 47 72.795 -12.329 0.479 1.00 0.00 H new ATOM 685 N ILE A 48 70.515 -3.083 -0.880 1.00 0.00 N ATOM 686 CA ILE A 48 69.956 -1.932 -1.635 1.00 0.00 C ATOM 687 C ILE A 48 70.990 -1.456 -2.656 1.00 0.00 C ATOM 688 O ILE A 48 70.658 -0.873 -3.670 1.00 0.00 O ATOM 689 CB ILE A 48 69.703 -0.849 -0.585 1.00 0.00 C ATOM 690 CG1 ILE A 48 68.410 -1.161 0.172 1.00 0.00 C ATOM 691 CG2 ILE A 48 69.572 0.514 -1.271 1.00 0.00 C ATOM 692 CD1 ILE A 48 68.357 -0.325 1.452 1.00 0.00 C ATOM 0 H ILE A 48 70.973 -2.844 -0.001 1.00 0.00 H new ATOM 0 HA ILE A 48 69.044 -2.183 -2.177 1.00 0.00 H new ATOM 0 HB ILE A 48 70.539 -0.825 0.114 1.00 0.00 H new ATOM 0 HG12 ILE A 48 67.546 -0.941 -0.455 1.00 0.00 H new ATOM 0 HG13 ILE A 48 68.365 -2.222 0.416 1.00 0.00 H new ATOM 0 HG21 ILE A 48 69.392 1.283 -0.520 1.00 0.00 H new ATOM 0 HG22 ILE A 48 70.493 0.741 -1.809 1.00 0.00 H new ATOM 0 HG23 ILE A 48 68.738 0.490 -1.973 1.00 0.00 H new ATOM 0 HD11 ILE A 48 67.437 -0.546 1.993 1.00 0.00 H new ATOM 0 HD12 ILE A 48 69.214 -0.567 2.080 1.00 0.00 H new ATOM 0 HD13 ILE A 48 68.382 0.734 1.196 1.00 0.00 H new ATOM 704 N LYS A 49 72.247 -1.703 -2.392 1.00 0.00 N ATOM 705 CA LYS A 49 73.308 -1.266 -3.341 1.00 0.00 C ATOM 706 C LYS A 49 73.490 -2.302 -4.454 1.00 0.00 C ATOM 707 O LYS A 49 74.032 -2.011 -5.501 1.00 0.00 O ATOM 708 CB LYS A 49 74.573 -1.164 -2.490 1.00 0.00 C ATOM 709 CG LYS A 49 75.074 0.280 -2.494 1.00 0.00 C ATOM 710 CD LYS A 49 76.503 0.324 -3.040 1.00 0.00 C ATOM 711 CE LYS A 49 76.467 0.611 -4.543 1.00 0.00 C ATOM 712 NZ LYS A 49 77.180 -0.536 -5.170 1.00 0.00 N ATOM 0 H LYS A 49 72.582 -2.188 -1.560 1.00 0.00 H new ATOM 0 HA LYS A 49 73.063 -0.323 -3.829 1.00 0.00 H new ATOM 0 HB2 LYS A 49 74.365 -1.485 -1.469 1.00 0.00 H new ATOM 0 HB3 LYS A 49 75.343 -1.828 -2.882 1.00 0.00 H new ATOM 0 HG2 LYS A 49 74.420 0.901 -3.106 1.00 0.00 H new ATOM 0 HG3 LYS A 49 75.047 0.688 -1.484 1.00 0.00 H new ATOM 0 HD2 LYS A 49 77.077 1.095 -2.525 1.00 0.00 H new ATOM 0 HD3 LYS A 49 77.005 -0.625 -2.852 1.00 0.00 H new ATOM 0 HE2 LYS A 49 75.442 0.685 -4.906 1.00 0.00 H new ATOM 0 HE3 LYS A 49 76.957 1.556 -4.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 77.197 -0.412 -6.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 78.155 -0.577 -4.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 76.687 -1.421 -4.936 1.00 0.00 H new ATOM 726 N ASN A 50 73.044 -3.510 -4.236 1.00 0.00 N ATOM 727 CA ASN A 50 73.197 -4.559 -5.285 1.00 0.00 C ATOM 728 C ASN A 50 71.848 -5.231 -5.572 1.00 0.00 C ATOM 729 O ASN A 50 71.732 -6.065 -6.448 1.00 0.00 O ATOM 730 CB ASN A 50 74.184 -5.566 -4.693 1.00 0.00 C ATOM 731 CG ASN A 50 75.613 -5.110 -4.987 1.00 0.00 C ATOM 732 OD1 ASN A 50 76.125 -4.220 -4.337 1.00 0.00 O ATOM 733 ND2 ASN A 50 76.285 -5.687 -5.945 1.00 0.00 N ATOM 0 H ASN A 50 72.582 -3.815 -3.380 1.00 0.00 H new ATOM 0 HA ASN A 50 73.549 -4.147 -6.231 1.00 0.00 H new ATOM 0 HB2 ASN A 50 74.032 -5.651 -3.617 1.00 0.00 H new ATOM 0 HB3 ASN A 50 74.011 -6.554 -5.119 1.00 0.00 H new ATOM 0 HD21 ASN A 50 77.240 -5.391 -6.148 1.00 0.00 H new ATOM 0 HD22 ASN A 50 75.856 -6.434 -6.491 1.00 0.00 H new ATOM 740 N GLY A 51 70.832 -4.868 -4.838 1.00 0.00 N ATOM 741 CA GLY A 51 69.484 -5.481 -5.055 1.00 0.00 C ATOM 742 C GLY A 51 69.611 -7.007 -5.029 1.00 0.00 C ATOM 743 O GLY A 51 70.701 -7.539 -4.974 1.00 0.00 O ATOM 0 H GLY A 51 70.874 -4.171 -4.094 1.00 0.00 H new ATOM 0 HA2 GLY A 51 68.792 -5.149 -4.281 1.00 0.00 H new ATOM 0 HA3 GLY A 51 69.073 -5.155 -6.011 1.00 0.00 H new ATOM 747 N SER A 52 68.512 -7.726 -5.065 1.00 0.00 N ATOM 748 CA SER A 52 68.611 -9.226 -5.039 1.00 0.00 C ATOM 749 C SER A 52 67.245 -9.878 -4.783 1.00 0.00 C ATOM 750 O SER A 52 66.294 -9.225 -4.405 1.00 0.00 O ATOM 751 CB SER A 52 69.559 -9.544 -3.881 1.00 0.00 C ATOM 752 OG SER A 52 70.762 -10.099 -4.399 1.00 0.00 O ATOM 0 H SER A 52 67.565 -7.349 -5.111 1.00 0.00 H new ATOM 0 HA SER A 52 68.965 -9.611 -5.995 1.00 0.00 H new ATOM 0 HB2 SER A 52 69.777 -8.639 -3.315 1.00 0.00 H new ATOM 0 HB3 SER A 52 69.088 -10.245 -3.192 1.00 0.00 H new ATOM 0 HG SER A 52 71.279 -9.398 -4.847 1.00 0.00 H new ATOM 758 N GLN A 53 67.156 -11.172 -4.980 1.00 0.00 N ATOM 759 CA GLN A 53 65.867 -11.892 -4.748 1.00 0.00 C ATOM 760 C GLN A 53 65.899 -12.595 -3.385 1.00 0.00 C ATOM 761 O GLN A 53 66.886 -12.550 -2.677 1.00 0.00 O ATOM 762 CB GLN A 53 65.752 -12.888 -5.926 1.00 0.00 C ATOM 763 CG GLN A 53 65.816 -14.347 -5.452 1.00 0.00 C ATOM 764 CD GLN A 53 67.197 -14.629 -4.856 1.00 0.00 C ATOM 765 OE1 GLN A 53 67.308 -15.099 -3.742 1.00 0.00 O ATOM 766 NE2 GLN A 53 68.262 -14.361 -5.561 1.00 0.00 N ATOM 0 H GLN A 53 67.927 -11.762 -5.293 1.00 0.00 H new ATOM 0 HA GLN A 53 65.002 -11.229 -4.718 1.00 0.00 H new ATOM 0 HB2 GLN A 53 64.813 -12.719 -6.454 1.00 0.00 H new ATOM 0 HB3 GLN A 53 66.556 -12.702 -6.638 1.00 0.00 H new ATOM 0 HG2 GLN A 53 65.042 -14.533 -4.708 1.00 0.00 H new ATOM 0 HG3 GLN A 53 65.624 -15.021 -6.287 1.00 0.00 H new ATOM 0 HE21 GLN A 53 68.168 -13.966 -6.497 1.00 0.00 H new ATOM 0 HE22 GLN A 53 69.188 -14.546 -5.176 1.00 0.00 H new ATOM 775 N GLY A 54 64.827 -13.237 -3.010 1.00 0.00 N ATOM 776 CA GLY A 54 64.800 -13.929 -1.693 1.00 0.00 C ATOM 777 C GLY A 54 64.695 -12.878 -0.593 1.00 0.00 C ATOM 778 O GLY A 54 65.044 -13.112 0.547 1.00 0.00 O ATOM 0 H GLY A 54 63.970 -13.312 -3.558 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.954 -14.615 -1.643 1.00 0.00 H new ATOM 0 HA3 GLY A 54 65.702 -14.526 -1.561 1.00 0.00 H new ATOM 782 N VAL A 55 64.216 -11.714 -0.934 1.00 0.00 N ATOM 783 CA VAL A 55 64.082 -10.631 0.075 1.00 0.00 C ATOM 784 C VAL A 55 62.663 -10.626 0.649 1.00 0.00 C ATOM 785 O VAL A 55 62.437 -10.996 1.783 1.00 0.00 O ATOM 786 CB VAL A 55 64.358 -9.345 -0.703 1.00 0.00 C ATOM 787 CG1 VAL A 55 64.556 -8.188 0.271 1.00 0.00 C ATOM 788 CG2 VAL A 55 65.625 -9.521 -1.543 1.00 0.00 C ATOM 0 H VAL A 55 63.910 -11.467 -1.875 1.00 0.00 H new ATOM 0 HA VAL A 55 64.762 -10.751 0.918 1.00 0.00 H new ATOM 0 HB VAL A 55 63.512 -9.129 -1.355 1.00 0.00 H new ATOM 0 HG11 VAL A 55 64.753 -7.272 -0.287 1.00 0.00 H new ATOM 0 HG12 VAL A 55 63.656 -8.060 0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 55 65.401 -8.403 0.925 1.00 0.00 H new ATOM 0 HG21 VAL A 55 65.823 -8.605 -2.099 1.00 0.00 H new ATOM 0 HG22 VAL A 55 66.469 -9.738 -0.888 1.00 0.00 H new ATOM 0 HG23 VAL A 55 65.487 -10.346 -2.242 1.00 0.00 H new ATOM 798 N TRP A 56 61.705 -10.217 -0.136 1.00 0.00 N ATOM 799 CA TRP A 56 60.299 -10.193 0.339 1.00 0.00 C ATOM 800 C TRP A 56 59.466 -11.141 -0.521 1.00 0.00 C ATOM 801 O TRP A 56 58.546 -11.786 -0.055 1.00 0.00 O ATOM 802 CB TRP A 56 59.848 -8.752 0.126 1.00 0.00 C ATOM 803 CG TRP A 56 60.489 -7.860 1.144 1.00 0.00 C ATOM 804 CD1 TRP A 56 61.672 -7.222 0.981 1.00 0.00 C ATOM 805 CD2 TRP A 56 60.006 -7.490 2.471 1.00 0.00 C ATOM 806 NE1 TRP A 56 61.944 -6.485 2.120 1.00 0.00 N ATOM 807 CE2 TRP A 56 60.949 -6.619 3.066 1.00 0.00 C ATOM 808 CE3 TRP A 56 58.854 -7.822 3.209 1.00 0.00 C ATOM 809 CZ2 TRP A 56 60.758 -6.096 4.344 1.00 0.00 C ATOM 810 CZ3 TRP A 56 58.660 -7.295 4.498 1.00 0.00 C ATOM 811 CH2 TRP A 56 59.610 -6.434 5.064 1.00 0.00 C ATOM 0 H TRP A 56 61.841 -9.896 -1.095 1.00 0.00 H new ATOM 0 HA TRP A 56 60.191 -10.506 1.378 1.00 0.00 H new ATOM 0 HB2 TRP A 56 60.116 -8.423 -0.878 1.00 0.00 H new ATOM 0 HB3 TRP A 56 58.763 -8.686 0.204 1.00 0.00 H new ATOM 0 HD1 TRP A 56 62.301 -7.279 0.105 1.00 0.00 H new ATOM 0 HE1 TRP A 56 62.779 -5.912 2.245 1.00 0.00 H new ATOM 0 HE3 TRP A 56 58.115 -8.485 2.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 61.494 -5.433 4.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 57.773 -7.556 5.056 1.00 0.00 H new ATOM 0 HH2 TRP A 56 59.455 -6.033 6.055 1.00 0.00 H new ATOM 822 N GLY A 57 59.792 -11.226 -1.782 1.00 0.00 N ATOM 823 CA GLY A 57 59.040 -12.126 -2.700 1.00 0.00 C ATOM 824 C GLY A 57 59.968 -12.591 -3.829 1.00 0.00 C ATOM 825 O GLY A 57 61.155 -12.338 -3.795 1.00 0.00 O ATOM 0 H GLY A 57 60.553 -10.706 -2.218 1.00 0.00 H new ATOM 0 HA2 GLY A 57 58.657 -12.986 -2.151 1.00 0.00 H new ATOM 0 HA3 GLY A 57 58.178 -11.603 -3.115 1.00 0.00 H new ATOM 829 N PRO A 58 59.395 -13.264 -4.800 1.00 0.00 N ATOM 830 CA PRO A 58 60.176 -13.778 -5.958 1.00 0.00 C ATOM 831 C PRO A 58 60.638 -12.647 -6.898 1.00 0.00 C ATOM 832 O PRO A 58 61.064 -12.902 -8.006 1.00 0.00 O ATOM 833 CB PRO A 58 59.154 -14.672 -6.670 1.00 0.00 C ATOM 834 CG PRO A 58 57.823 -14.618 -5.896 1.00 0.00 C ATOM 835 CD PRO A 58 57.945 -13.565 -4.788 1.00 0.00 C ATOM 0 HA PRO A 58 61.091 -14.287 -5.654 1.00 0.00 H new ATOM 0 HB2 PRO A 58 59.008 -14.335 -7.696 1.00 0.00 H new ATOM 0 HB3 PRO A 58 59.520 -15.697 -6.720 1.00 0.00 H new ATOM 0 HG2 PRO A 58 57.004 -14.366 -6.569 1.00 0.00 H new ATOM 0 HG3 PRO A 58 57.595 -15.594 -5.467 1.00 0.00 H new ATOM 0 HD2 PRO A 58 57.344 -12.681 -4.999 1.00 0.00 H new ATOM 0 HD3 PRO A 58 57.617 -13.950 -3.822 1.00 0.00 H new ATOM 843 N ILE A 59 60.559 -11.408 -6.483 1.00 0.00 N ATOM 844 CA ILE A 59 61.001 -10.299 -7.382 1.00 0.00 C ATOM 845 C ILE A 59 62.284 -9.652 -6.845 1.00 0.00 C ATOM 846 O ILE A 59 62.223 -8.749 -6.035 1.00 0.00 O ATOM 847 CB ILE A 59 59.860 -9.283 -7.363 1.00 0.00 C ATOM 848 CG1 ILE A 59 58.517 -10.006 -7.481 1.00 0.00 C ATOM 849 CG2 ILE A 59 60.021 -8.314 -8.537 1.00 0.00 C ATOM 850 CD1 ILE A 59 57.394 -8.973 -7.592 1.00 0.00 C ATOM 0 H ILE A 59 60.211 -11.118 -5.569 1.00 0.00 H new ATOM 0 HA ILE A 59 61.216 -10.659 -8.388 1.00 0.00 H new ATOM 0 HB ILE A 59 59.888 -8.730 -6.424 1.00 0.00 H new ATOM 0 HG12 ILE A 59 58.517 -10.656 -8.356 1.00 0.00 H new ATOM 0 HG13 ILE A 59 58.356 -10.643 -6.611 1.00 0.00 H new ATOM 0 HG21 ILE A 59 59.207 -7.589 -8.524 1.00 0.00 H new ATOM 0 HG22 ILE A 59 60.974 -7.792 -8.450 1.00 0.00 H new ATOM 0 HG23 ILE A 59 59.997 -8.870 -9.474 1.00 0.00 H new ATOM 0 HD11 ILE A 59 56.436 -9.485 -7.676 1.00 0.00 H new ATOM 0 HD12 ILE A 59 57.391 -8.342 -6.703 1.00 0.00 H new ATOM 0 HD13 ILE A 59 57.554 -8.355 -8.476 1.00 0.00 H new ATOM 862 N PRO A 60 63.409 -10.127 -7.319 1.00 0.00 N ATOM 863 CA PRO A 60 64.714 -9.575 -6.882 1.00 0.00 C ATOM 864 C PRO A 60 64.831 -8.100 -7.255 1.00 0.00 C ATOM 865 O PRO A 60 64.578 -7.713 -8.379 1.00 0.00 O ATOM 866 CB PRO A 60 65.718 -10.412 -7.680 1.00 0.00 C ATOM 867 CG PRO A 60 64.944 -11.426 -8.542 1.00 0.00 C ATOM 868 CD PRO A 60 63.441 -11.231 -8.306 1.00 0.00 C ATOM 0 HA PRO A 60 64.864 -9.624 -5.804 1.00 0.00 H new ATOM 0 HB2 PRO A 60 66.329 -9.767 -8.312 1.00 0.00 H new ATOM 0 HB3 PRO A 60 66.397 -10.932 -7.004 1.00 0.00 H new ATOM 0 HG2 PRO A 60 65.182 -11.284 -9.596 1.00 0.00 H new ATOM 0 HG3 PRO A 60 65.238 -12.443 -8.283 1.00 0.00 H new ATOM 0 HD2 PRO A 60 62.917 -10.968 -9.225 1.00 0.00 H new ATOM 0 HD3 PRO A 60 62.971 -12.135 -7.918 1.00 0.00 H new ATOM 876 N MET A 61 65.218 -7.273 -6.327 1.00 0.00 N ATOM 877 CA MET A 61 65.355 -5.828 -6.642 1.00 0.00 C ATOM 878 C MET A 61 66.599 -5.591 -7.497 1.00 0.00 C ATOM 879 O MET A 61 67.662 -6.074 -7.163 1.00 0.00 O ATOM 880 CB MET A 61 65.529 -5.151 -5.290 1.00 0.00 C ATOM 881 CG MET A 61 65.747 -3.652 -5.498 1.00 0.00 C ATOM 882 SD MET A 61 67.453 -3.221 -5.077 1.00 0.00 S ATOM 883 CE MET A 61 67.202 -3.053 -3.293 1.00 0.00 C ATOM 0 H MET A 61 65.444 -7.535 -5.368 1.00 0.00 H new ATOM 0 HA MET A 61 64.498 -5.446 -7.196 1.00 0.00 H new ATOM 0 HB2 MET A 61 64.648 -5.319 -4.670 1.00 0.00 H new ATOM 0 HB3 MET A 61 66.378 -5.583 -4.761 1.00 0.00 H new ATOM 0 HG2 MET A 61 65.539 -3.385 -6.534 1.00 0.00 H new ATOM 0 HG3 MET A 61 65.054 -3.084 -4.877 1.00 0.00 H new ATOM 0 HE1 MET A 61 67.336 -2.011 -3.003 1.00 0.00 H new ATOM 0 HE2 MET A 61 66.193 -3.374 -3.036 1.00 0.00 H new ATOM 0 HE3 MET A 61 67.926 -3.673 -2.764 1.00 0.00 H new ATOM 893 N PRO A 62 66.443 -4.840 -8.561 1.00 0.00 N ATOM 894 CA PRO A 62 67.595 -4.529 -9.431 1.00 0.00 C ATOM 895 C PRO A 62 68.605 -3.698 -8.631 1.00 0.00 C ATOM 896 O PRO A 62 68.216 -2.829 -7.876 1.00 0.00 O ATOM 897 CB PRO A 62 66.960 -3.701 -10.553 1.00 0.00 C ATOM 898 CG PRO A 62 65.450 -3.566 -10.272 1.00 0.00 C ATOM 899 CD PRO A 62 65.130 -4.276 -8.950 1.00 0.00 C ATOM 0 HA PRO A 62 68.130 -5.400 -9.809 1.00 0.00 H new ATOM 0 HB2 PRO A 62 67.424 -2.716 -10.605 1.00 0.00 H new ATOM 0 HB3 PRO A 62 67.124 -4.182 -11.517 1.00 0.00 H new ATOM 0 HG2 PRO A 62 65.169 -2.514 -10.214 1.00 0.00 H new ATOM 0 HG3 PRO A 62 64.873 -4.005 -11.086 1.00 0.00 H new ATOM 0 HD2 PRO A 62 64.748 -3.584 -8.200 1.00 0.00 H new ATOM 0 HD3 PRO A 62 64.377 -5.053 -9.079 1.00 0.00 H new ATOM 907 N PRO A 63 69.867 -3.989 -8.799 1.00 0.00 N ATOM 908 CA PRO A 63 70.911 -3.252 -8.054 1.00 0.00 C ATOM 909 C PRO A 63 70.852 -1.759 -8.394 1.00 0.00 C ATOM 910 O PRO A 63 70.583 -1.379 -9.515 1.00 0.00 O ATOM 911 CB PRO A 63 72.203 -3.892 -8.565 1.00 0.00 C ATOM 912 CG PRO A 63 71.845 -4.972 -9.605 1.00 0.00 C ATOM 913 CD PRO A 63 70.317 -5.049 -9.730 1.00 0.00 C ATOM 0 HA PRO A 63 70.808 -3.311 -6.970 1.00 0.00 H new ATOM 0 HB2 PRO A 63 72.847 -3.136 -9.013 1.00 0.00 H new ATOM 0 HB3 PRO A 63 72.758 -4.334 -7.738 1.00 0.00 H new ATOM 0 HG2 PRO A 63 72.291 -4.730 -10.570 1.00 0.00 H new ATOM 0 HG3 PRO A 63 72.248 -5.938 -9.301 1.00 0.00 H new ATOM 0 HD2 PRO A 63 69.983 -4.862 -10.751 1.00 0.00 H new ATOM 0 HD3 PRO A 63 69.935 -6.029 -9.445 1.00 0.00 H new ATOM 921 N ASN A 64 71.090 -0.910 -7.432 1.00 0.00 N ATOM 922 CA ASN A 64 71.034 0.557 -7.702 1.00 0.00 C ATOM 923 C ASN A 64 72.426 1.181 -7.569 1.00 0.00 C ATOM 924 O ASN A 64 73.317 0.616 -6.965 1.00 0.00 O ATOM 925 CB ASN A 64 70.092 1.117 -6.637 1.00 0.00 C ATOM 926 CG ASN A 64 68.702 0.500 -6.811 1.00 0.00 C ATOM 927 OD1 ASN A 64 68.527 -0.768 -6.555 1.00 0.00 O flip ATOM 928 ND2 ASN A 64 67.765 1.179 -7.181 1.00 0.00 N flip ATOM 0 H ASN A 64 71.320 -1.167 -6.472 1.00 0.00 H new ATOM 0 HA ASN A 64 70.688 0.776 -8.712 1.00 0.00 H new ATOM 0 HB2 ASN A 64 70.478 0.896 -5.642 1.00 0.00 H new ATOM 0 HB3 ASN A 64 70.033 2.202 -6.722 1.00 0.00 H new ATOM 0 HD21 ASN A 64 67.901 2.170 -7.381 1.00 0.00 H new ATOM 0 HD22 ASN A 64 66.842 0.758 -7.291 1.00 0.00 H new ATOM 935 N ALA A 65 72.618 2.345 -8.130 1.00 0.00 N ATOM 936 CA ALA A 65 73.951 3.008 -8.037 1.00 0.00 C ATOM 937 C ALA A 65 74.016 3.884 -6.784 1.00 0.00 C ATOM 938 O ALA A 65 74.649 4.921 -6.770 1.00 0.00 O ATOM 939 CB ALA A 65 74.062 3.864 -9.299 1.00 0.00 C ATOM 0 H ALA A 65 71.910 2.865 -8.648 1.00 0.00 H new ATOM 0 HA ALA A 65 74.766 2.288 -7.965 1.00 0.00 H new ATOM 0 HB1 ALA A 65 75.020 4.385 -9.302 1.00 0.00 H new ATOM 0 HB2 ALA A 65 73.993 3.225 -10.179 1.00 0.00 H new ATOM 0 HB3 ALA A 65 73.252 4.594 -9.316 1.00 0.00 H new ATOM 945 N VAL A 66 73.371 3.469 -5.731 1.00 0.00 N ATOM 946 CA VAL A 66 73.398 4.271 -4.475 1.00 0.00 C ATOM 947 C VAL A 66 74.697 3.995 -3.712 1.00 0.00 C ATOM 948 O VAL A 66 74.931 2.898 -3.249 1.00 0.00 O ATOM 949 CB VAL A 66 72.193 3.785 -3.668 1.00 0.00 C ATOM 950 CG1 VAL A 66 70.903 4.161 -4.395 1.00 0.00 C ATOM 951 CG2 VAL A 66 72.263 2.264 -3.511 1.00 0.00 C ATOM 0 H VAL A 66 72.825 2.608 -5.685 1.00 0.00 H new ATOM 0 HA VAL A 66 73.354 5.344 -4.665 1.00 0.00 H new ATOM 0 HB VAL A 66 72.205 4.254 -2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 66 70.046 3.814 -3.818 1.00 0.00 H new ATOM 0 HG12 VAL A 66 70.851 5.244 -4.507 1.00 0.00 H new ATOM 0 HG13 VAL A 66 70.891 3.694 -5.380 1.00 0.00 H new ATOM 0 HG21 VAL A 66 71.404 1.918 -2.936 1.00 0.00 H new ATOM 0 HG22 VAL A 66 72.253 1.796 -4.495 1.00 0.00 H new ATOM 0 HG23 VAL A 66 73.181 1.994 -2.990 1.00 0.00 H new ATOM 961 N SER A 67 75.545 4.978 -3.576 1.00 0.00 N ATOM 962 CA SER A 67 76.821 4.753 -2.837 1.00 0.00 C ATOM 963 C SER A 67 76.523 4.101 -1.485 1.00 0.00 C ATOM 964 O SER A 67 75.390 3.808 -1.168 1.00 0.00 O ATOM 965 CB SER A 67 77.420 6.145 -2.645 1.00 0.00 C ATOM 966 OG SER A 67 77.223 6.908 -3.829 1.00 0.00 O ATOM 0 H SER A 67 75.412 5.921 -3.942 1.00 0.00 H new ATOM 0 HA SER A 67 77.504 4.092 -3.371 1.00 0.00 H new ATOM 0 HB2 SER A 67 76.950 6.642 -1.796 1.00 0.00 H new ATOM 0 HB3 SER A 67 78.484 6.068 -2.421 1.00 0.00 H new ATOM 0 HG SER A 67 77.605 7.803 -3.709 1.00 0.00 H new ATOM 972 N ASP A 68 77.525 3.872 -0.683 1.00 0.00 N ATOM 973 CA ASP A 68 77.274 3.241 0.644 1.00 0.00 C ATOM 974 C ASP A 68 76.502 4.207 1.544 1.00 0.00 C ATOM 975 O ASP A 68 75.413 3.912 1.998 1.00 0.00 O ATOM 976 CB ASP A 68 78.662 2.955 1.222 1.00 0.00 C ATOM 977 CG ASP A 68 78.534 2.585 2.702 1.00 0.00 C ATOM 978 OD1 ASP A 68 77.672 1.782 3.019 1.00 0.00 O ATOM 979 OD2 ASP A 68 79.299 3.112 3.493 1.00 0.00 O ATOM 0 H ASP A 68 78.500 4.092 -0.886 1.00 0.00 H new ATOM 0 HA ASP A 68 76.677 2.333 0.565 1.00 0.00 H new ATOM 0 HB2 ASP A 68 79.135 2.141 0.673 1.00 0.00 H new ATOM 0 HB3 ASP A 68 79.302 3.830 1.109 1.00 0.00 H new ATOM 984 N ASP A 69 77.052 5.361 1.800 1.00 0.00 N ATOM 985 CA ASP A 69 76.343 6.346 2.665 1.00 0.00 C ATOM 986 C ASP A 69 74.929 6.581 2.133 1.00 0.00 C ATOM 987 O ASP A 69 74.000 6.811 2.882 1.00 0.00 O ATOM 988 CB ASP A 69 77.173 7.627 2.571 1.00 0.00 C ATOM 989 CG ASP A 69 77.678 8.012 3.962 1.00 0.00 C ATOM 990 OD1 ASP A 69 77.763 7.133 4.804 1.00 0.00 O ATOM 991 OD2 ASP A 69 77.971 9.178 4.162 1.00 0.00 O ATOM 0 H ASP A 69 77.960 5.665 1.449 1.00 0.00 H new ATOM 0 HA ASP A 69 76.246 6.002 3.695 1.00 0.00 H new ATOM 0 HB2 ASP A 69 78.015 7.478 1.895 1.00 0.00 H new ATOM 0 HB3 ASP A 69 76.570 8.434 2.155 1.00 0.00 H new ATOM 996 N GLU A 70 74.759 6.523 0.840 1.00 0.00 N ATOM 997 CA GLU A 70 73.406 6.743 0.255 1.00 0.00 C ATOM 998 C GLU A 70 72.470 5.598 0.643 1.00 0.00 C ATOM 999 O GLU A 70 71.376 5.812 1.122 1.00 0.00 O ATOM 1000 CB GLU A 70 73.629 6.769 -1.257 1.00 0.00 C ATOM 1001 CG GLU A 70 74.009 8.184 -1.693 1.00 0.00 C ATOM 1002 CD GLU A 70 72.762 9.069 -1.701 1.00 0.00 C ATOM 1003 OE1 GLU A 70 71.698 8.563 -1.383 1.00 0.00 O ATOM 1004 OE2 GLU A 70 72.891 10.239 -2.024 1.00 0.00 O ATOM 0 H GLU A 70 75.499 6.333 0.164 1.00 0.00 H new ATOM 0 HA GLU A 70 72.944 7.663 0.614 1.00 0.00 H new ATOM 0 HB2 GLU A 70 74.418 6.069 -1.531 1.00 0.00 H new ATOM 0 HB3 GLU A 70 72.725 6.448 -1.774 1.00 0.00 H new ATOM 0 HG2 GLU A 70 74.756 8.596 -1.015 1.00 0.00 H new ATOM 0 HG3 GLU A 70 74.458 8.161 -2.686 1.00 0.00 H new ATOM 1011 N ALA A 71 72.895 4.383 0.446 1.00 0.00 N ATOM 1012 CA ALA A 71 72.029 3.226 0.809 1.00 0.00 C ATOM 1013 C ALA A 71 71.802 3.210 2.321 1.00 0.00 C ATOM 1014 O ALA A 71 70.844 2.646 2.810 1.00 0.00 O ATOM 1015 CB ALA A 71 72.810 1.988 0.368 1.00 0.00 C ATOM 0 H ALA A 71 73.803 4.140 0.050 1.00 0.00 H new ATOM 0 HA ALA A 71 71.049 3.272 0.334 1.00 0.00 H new ATOM 0 HB1 ALA A 71 72.235 1.092 0.603 1.00 0.00 H new ATOM 0 HB2 ALA A 71 72.988 2.034 -0.706 1.00 0.00 H new ATOM 0 HB3 ALA A 71 73.765 1.954 0.893 1.00 0.00 H new ATOM 1021 N GLN A 72 72.669 3.843 3.062 1.00 0.00 N ATOM 1022 CA GLN A 72 72.493 3.882 4.539 1.00 0.00 C ATOM 1023 C GLN A 72 71.326 4.805 4.871 1.00 0.00 C ATOM 1024 O GLN A 72 70.463 4.479 5.661 1.00 0.00 O ATOM 1025 CB GLN A 72 73.804 4.442 5.092 1.00 0.00 C ATOM 1026 CG GLN A 72 74.205 3.658 6.342 1.00 0.00 C ATOM 1027 CD GLN A 72 74.079 4.558 7.572 1.00 0.00 C ATOM 1028 OE1 GLN A 72 72.987 4.907 7.975 1.00 0.00 O ATOM 1029 NE2 GLN A 72 75.158 4.952 8.190 1.00 0.00 N ATOM 0 H GLN A 72 73.490 4.334 2.708 1.00 0.00 H new ATOM 0 HA GLN A 72 72.275 2.903 4.967 1.00 0.00 H new ATOM 0 HB2 GLN A 72 74.588 4.372 4.338 1.00 0.00 H new ATOM 0 HB3 GLN A 72 73.688 5.498 5.334 1.00 0.00 H new ATOM 0 HG2 GLN A 72 73.568 2.781 6.454 1.00 0.00 H new ATOM 0 HG3 GLN A 72 75.229 3.298 6.245 1.00 0.00 H new ATOM 0 HE21 GLN A 72 76.075 4.659 7.852 1.00 0.00 H new ATOM 0 HE22 GLN A 72 75.085 5.553 9.011 1.00 0.00 H new ATOM 1038 N THR A 73 71.286 5.947 4.247 1.00 0.00 N ATOM 1039 CA THR A 73 70.162 6.885 4.495 1.00 0.00 C ATOM 1040 C THR A 73 68.905 6.328 3.832 1.00 0.00 C ATOM 1041 O THR A 73 67.793 6.649 4.203 1.00 0.00 O ATOM 1042 CB THR A 73 70.586 8.200 3.838 1.00 0.00 C ATOM 1043 OG1 THR A 73 71.738 8.706 4.498 1.00 0.00 O ATOM 1044 CG2 THR A 73 69.447 9.216 3.937 1.00 0.00 C ATOM 0 H THR A 73 71.983 6.270 3.576 1.00 0.00 H new ATOM 0 HA THR A 73 69.946 7.026 5.554 1.00 0.00 H new ATOM 0 HB THR A 73 70.817 8.024 2.787 1.00 0.00 H new ATOM 0 HG1 THR A 73 72.013 9.548 4.078 1.00 0.00 H new ATOM 0 HG21 THR A 73 69.752 10.152 3.468 1.00 0.00 H new ATOM 0 HG22 THR A 73 68.566 8.826 3.428 1.00 0.00 H new ATOM 0 HG23 THR A 73 69.210 9.396 4.986 1.00 0.00 H new ATOM 1052 N LEU A 74 69.081 5.475 2.857 1.00 0.00 N ATOM 1053 CA LEU A 74 67.906 4.872 2.171 1.00 0.00 C ATOM 1054 C LEU A 74 67.251 3.848 3.099 1.00 0.00 C ATOM 1055 O LEU A 74 66.044 3.723 3.151 1.00 0.00 O ATOM 1056 CB LEU A 74 68.475 4.199 0.919 1.00 0.00 C ATOM 1057 CG LEU A 74 68.887 5.276 -0.088 1.00 0.00 C ATOM 1058 CD1 LEU A 74 69.780 4.659 -1.165 1.00 0.00 C ATOM 1059 CD2 LEU A 74 67.636 5.868 -0.741 1.00 0.00 C ATOM 0 H LEU A 74 69.990 5.171 2.508 1.00 0.00 H new ATOM 0 HA LEU A 74 67.143 5.605 1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 74 69.334 3.582 1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 74 67.730 3.537 0.477 1.00 0.00 H new ATOM 0 HG LEU A 74 69.436 6.063 0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 74 70.072 5.428 -1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 74 70.672 4.238 -0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 74 69.234 3.870 -1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 74 67.928 6.635 -1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 74 67.087 5.080 -1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 74 67.001 6.311 0.026 1.00 0.00 H new ATOM 1071 N ALA A 75 68.040 3.127 3.853 1.00 0.00 N ATOM 1072 CA ALA A 75 67.461 2.132 4.797 1.00 0.00 C ATOM 1073 C ALA A 75 66.770 2.876 5.941 1.00 0.00 C ATOM 1074 O ALA A 75 65.621 2.629 6.257 1.00 0.00 O ATOM 1075 CB ALA A 75 68.651 1.326 5.316 1.00 0.00 C ATOM 0 H ALA A 75 69.058 3.186 3.854 1.00 0.00 H new ATOM 0 HA ALA A 75 66.721 1.483 4.328 1.00 0.00 H new ATOM 0 HB1 ALA A 75 68.300 0.571 6.019 1.00 0.00 H new ATOM 0 HB2 ALA A 75 69.152 0.838 4.480 1.00 0.00 H new ATOM 0 HB3 ALA A 75 69.351 1.993 5.819 1.00 0.00 H new ATOM 1081 N LYS A 76 67.458 3.805 6.550 1.00 0.00 N ATOM 1082 CA LYS A 76 66.837 4.585 7.655 1.00 0.00 C ATOM 1083 C LYS A 76 65.630 5.346 7.110 1.00 0.00 C ATOM 1084 O LYS A 76 64.716 5.692 7.833 1.00 0.00 O ATOM 1085 CB LYS A 76 67.922 5.558 8.115 1.00 0.00 C ATOM 1086 CG LYS A 76 68.964 4.811 8.949 1.00 0.00 C ATOM 1087 CD LYS A 76 69.327 5.646 10.178 1.00 0.00 C ATOM 1088 CE LYS A 76 70.840 5.879 10.212 1.00 0.00 C ATOM 1089 NZ LYS A 76 71.244 5.590 11.618 1.00 0.00 N ATOM 0 H LYS A 76 68.422 4.056 6.329 1.00 0.00 H new ATOM 0 HA LYS A 76 66.491 3.957 8.476 1.00 0.00 H new ATOM 0 HB2 LYS A 76 68.398 6.022 7.251 1.00 0.00 H new ATOM 0 HB3 LYS A 76 67.478 6.361 8.704 1.00 0.00 H new ATOM 0 HG2 LYS A 76 68.572 3.842 9.257 1.00 0.00 H new ATOM 0 HG3 LYS A 76 69.855 4.619 8.351 1.00 0.00 H new ATOM 0 HD2 LYS A 76 68.802 6.601 10.149 1.00 0.00 H new ATOM 0 HD3 LYS A 76 69.007 5.134 11.086 1.00 0.00 H new ATOM 0 HE2 LYS A 76 71.356 5.223 9.511 1.00 0.00 H new ATOM 0 HE3 LYS A 76 71.088 6.903 9.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 72.270 5.728 11.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 70.742 6.234 12.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 71.002 4.606 11.853 1.00 0.00 H new ATOM 1103 N TRP A 77 65.623 5.605 5.830 1.00 0.00 N ATOM 1104 CA TRP A 77 64.481 6.336 5.216 1.00 0.00 C ATOM 1105 C TRP A 77 63.271 5.409 5.104 1.00 0.00 C ATOM 1106 O TRP A 77 62.151 5.800 5.365 1.00 0.00 O ATOM 1107 CB TRP A 77 64.980 6.747 3.830 1.00 0.00 C ATOM 1108 CG TRP A 77 63.853 7.329 3.043 1.00 0.00 C ATOM 1109 CD1 TRP A 77 63.198 8.472 3.349 1.00 0.00 C ATOM 1110 CD2 TRP A 77 63.239 6.819 1.824 1.00 0.00 C ATOM 1111 NE1 TRP A 77 62.221 8.696 2.395 1.00 0.00 N ATOM 1112 CE2 TRP A 77 62.207 7.705 1.434 1.00 0.00 C ATOM 1113 CE3 TRP A 77 63.476 5.686 1.027 1.00 0.00 C ATOM 1114 CZ2 TRP A 77 61.436 7.476 0.295 1.00 0.00 C ATOM 1115 CZ3 TRP A 77 62.701 5.451 -0.121 1.00 0.00 C ATOM 1116 CH2 TRP A 77 61.684 6.346 -0.486 1.00 0.00 C ATOM 0 H TRP A 77 66.364 5.340 5.181 1.00 0.00 H new ATOM 0 HA TRP A 77 64.167 7.198 5.805 1.00 0.00 H new ATOM 0 HB2 TRP A 77 65.785 7.476 3.924 1.00 0.00 H new ATOM 0 HB3 TRP A 77 65.392 5.882 3.310 1.00 0.00 H new ATOM 0 HD1 TRP A 77 63.404 9.106 4.199 1.00 0.00 H new ATOM 0 HE1 TRP A 77 61.588 9.496 2.401 1.00 0.00 H new ATOM 0 HE3 TRP A 77 64.258 4.992 1.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 60.653 8.167 0.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 62.889 4.576 -0.726 1.00 0.00 H new ATOM 0 HH2 TRP A 77 61.093 6.161 -1.371 1.00 0.00 H new ATOM 1127 N ILE A 78 63.488 4.177 4.726 1.00 0.00 N ATOM 1128 CA ILE A 78 62.348 3.223 4.608 1.00 0.00 C ATOM 1129 C ILE A 78 61.667 3.066 5.970 1.00 0.00 C ATOM 1130 O ILE A 78 60.457 3.040 6.073 1.00 0.00 O ATOM 1131 CB ILE A 78 62.975 1.897 4.174 1.00 0.00 C ATOM 1132 CG1 ILE A 78 63.438 1.990 2.715 1.00 0.00 C ATOM 1133 CG2 ILE A 78 61.939 0.778 4.304 1.00 0.00 C ATOM 1134 CD1 ILE A 78 64.544 0.964 2.465 1.00 0.00 C ATOM 0 H ILE A 78 64.403 3.791 4.494 1.00 0.00 H new ATOM 0 HA ILE A 78 61.593 3.564 3.899 1.00 0.00 H new ATOM 0 HB ILE A 78 63.833 1.682 4.811 1.00 0.00 H new ATOM 0 HG12 ILE A 78 62.599 1.807 2.044 1.00 0.00 H new ATOM 0 HG13 ILE A 78 63.804 2.994 2.502 1.00 0.00 H new ATOM 0 HG21 ILE A 78 62.384 -0.168 3.995 1.00 0.00 H new ATOM 0 HG22 ILE A 78 61.612 0.704 5.341 1.00 0.00 H new ATOM 0 HG23 ILE A 78 61.082 1.000 3.668 1.00 0.00 H new ATOM 0 HD11 ILE A 78 64.874 1.030 1.428 1.00 0.00 H new ATOM 0 HD12 ILE A 78 65.386 1.168 3.127 1.00 0.00 H new ATOM 0 HD13 ILE A 78 64.162 -0.038 2.662 1.00 0.00 H new ATOM 1146 N LEU A 79 62.440 2.962 7.017 1.00 0.00 N ATOM 1147 CA LEU A 79 61.845 2.805 8.376 1.00 0.00 C ATOM 1148 C LEU A 79 61.272 4.139 8.869 1.00 0.00 C ATOM 1149 O LEU A 79 60.539 4.189 9.837 1.00 0.00 O ATOM 1150 CB LEU A 79 63.007 2.363 9.267 1.00 0.00 C ATOM 1151 CG LEU A 79 63.326 0.891 9.003 1.00 0.00 C ATOM 1152 CD1 LEU A 79 64.712 0.773 8.369 1.00 0.00 C ATOM 1153 CD2 LEU A 79 63.303 0.119 10.325 1.00 0.00 C ATOM 0 H LEU A 79 63.460 2.979 6.990 1.00 0.00 H new ATOM 0 HA LEU A 79 61.024 2.088 8.383 1.00 0.00 H new ATOM 0 HB2 LEU A 79 63.885 2.977 9.068 1.00 0.00 H new ATOM 0 HB3 LEU A 79 62.749 2.507 10.316 1.00 0.00 H new ATOM 0 HG LEU A 79 62.581 0.475 8.325 1.00 0.00 H new ATOM 0 HD11 LEU A 79 64.938 -0.277 8.181 1.00 0.00 H new ATOM 0 HD12 LEU A 79 64.729 1.322 7.427 1.00 0.00 H new ATOM 0 HD13 LEU A 79 65.458 1.190 9.046 1.00 0.00 H new ATOM 0 HD21 LEU A 79 63.530 -0.930 10.138 1.00 0.00 H new ATOM 0 HD22 LEU A 79 64.048 0.536 11.003 1.00 0.00 H new ATOM 0 HD23 LEU A 79 62.315 0.201 10.777 1.00 0.00 H new ATOM 1165 N SER A 80 61.606 5.219 8.217 1.00 0.00 N ATOM 1166 CA SER A 80 61.083 6.544 8.659 1.00 0.00 C ATOM 1167 C SER A 80 59.896 6.970 7.787 1.00 0.00 C ATOM 1168 O SER A 80 59.148 7.862 8.137 1.00 0.00 O ATOM 1169 CB SER A 80 62.257 7.508 8.481 1.00 0.00 C ATOM 1170 OG SER A 80 61.831 8.644 7.739 1.00 0.00 O ATOM 0 H SER A 80 62.216 5.242 7.400 1.00 0.00 H new ATOM 0 HA SER A 80 60.722 6.523 9.687 1.00 0.00 H new ATOM 0 HB2 SER A 80 62.637 7.818 9.454 1.00 0.00 H new ATOM 0 HB3 SER A 80 63.076 7.009 7.963 1.00 0.00 H new ATOM 0 HG SER A 80 62.583 9.262 7.627 1.00 0.00 H new ATOM 1176 N GLN A 81 59.717 6.342 6.656 1.00 0.00 N ATOM 1177 CA GLN A 81 58.577 6.717 5.770 1.00 0.00 C ATOM 1178 C GLN A 81 57.272 6.744 6.571 1.00 0.00 C ATOM 1179 O GLN A 81 56.601 5.740 6.717 1.00 0.00 O ATOM 1180 CB GLN A 81 58.533 5.627 4.699 1.00 0.00 C ATOM 1181 CG GLN A 81 59.544 5.952 3.596 1.00 0.00 C ATOM 1182 CD GLN A 81 59.262 7.348 3.036 1.00 0.00 C ATOM 1183 OE1 GLN A 81 58.469 7.505 2.129 1.00 0.00 O ATOM 1184 NE2 GLN A 81 59.884 8.377 3.543 1.00 0.00 N ATOM 0 H GLN A 81 60.309 5.588 6.308 1.00 0.00 H new ATOM 0 HA GLN A 81 58.699 7.708 5.334 1.00 0.00 H new ATOM 0 HB2 GLN A 81 58.762 4.658 5.142 1.00 0.00 H new ATOM 0 HB3 GLN A 81 57.530 5.556 4.278 1.00 0.00 H new ATOM 0 HG2 GLN A 81 60.558 5.907 3.993 1.00 0.00 H new ATOM 0 HG3 GLN A 81 59.480 5.210 2.800 1.00 0.00 H new ATOM 0 HE21 GLN A 81 60.550 8.246 4.304 1.00 0.00 H new ATOM 0 HE22 GLN A 81 59.704 9.312 3.178 1.00 0.00 H new ATOM 1193 N LYS A 82 56.908 7.884 7.093 1.00 0.00 N ATOM 1194 CA LYS A 82 55.648 7.977 7.889 1.00 0.00 C ATOM 1195 C LYS A 82 55.520 6.764 8.816 1.00 0.00 C ATOM 1196 O LYS A 82 54.720 5.894 8.514 1.00 0.00 O ATOM 1197 CB LYS A 82 54.519 7.986 6.857 1.00 0.00 C ATOM 1198 CG LYS A 82 54.712 9.161 5.894 1.00 0.00 C ATOM 1199 CD LYS A 82 54.248 10.456 6.566 1.00 0.00 C ATOM 1200 CE LYS A 82 54.033 11.538 5.505 1.00 0.00 C ATOM 1201 NZ LYS A 82 52.559 11.578 5.286 1.00 0.00 N ATOM 1202 OXT LYS A 82 56.224 6.727 9.812 1.00 0.00 O ATOM 0 H LYS A 82 57.429 8.757 7.003 1.00 0.00 H new ATOM 0 HA LYS A 82 55.625 8.865 8.520 1.00 0.00 H new ATOM 0 HB2 LYS A 82 54.511 7.047 6.304 1.00 0.00 H new ATOM 0 HB3 LYS A 82 53.555 8.069 7.359 1.00 0.00 H new ATOM 0 HG2 LYS A 82 55.761 9.243 5.609 1.00 0.00 H new ATOM 0 HG3 LYS A 82 54.145 8.991 4.978 1.00 0.00 H new ATOM 0 HD2 LYS A 82 53.322 10.281 7.114 1.00 0.00 H new ATOM 0 HD3 LYS A 82 54.991 10.787 7.292 1.00 0.00 H new ATOM 0 HE2 LYS A 82 54.408 12.504 5.845 1.00 0.00 H new ATOM 0 HE3 LYS A 82 54.562 11.297 4.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 52.334 12.298 4.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 52.232 10.648 4.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 52.082 11.817 6.179 1.00 0.00 H new TER 1216 LYS A 82 HETATM 1217 FE HEM A 83 63.732 -1.441 -3.927 1.00 0.00 FE HETATM 1218 CHA HEM A 83 63.506 -4.249 -2.116 1.00 0.00 C HETATM 1219 CHB HEM A 83 65.141 0.189 -1.284 1.00 0.00 C HETATM 1220 CHC HEM A 83 64.553 1.075 -5.968 1.00 0.00 C HETATM 1221 CHD HEM A 83 62.043 -2.941 -6.439 1.00 0.00 C HETATM 1222 NA HEM A 83 64.213 -1.920 -2.106 1.00 0.00 N HETATM 1223 C1A HEM A 83 64.164 -3.177 -1.565 1.00 0.00 C HETATM 1224 C2A HEM A 83 64.843 -3.240 -0.314 1.00 0.00 C HETATM 1225 C3A HEM A 83 65.154 -1.964 0.017 1.00 0.00 C HETATM 1226 C4A HEM A 83 64.785 -1.141 -1.119 1.00 0.00 C HETATM 1227 CMA HEM A 83 65.752 -1.491 1.329 1.00 0.00 C HETATM 1228 CAA HEM A 83 65.315 -4.550 0.296 1.00 0.00 C HETATM 1229 CBA HEM A 83 65.930 -5.444 -0.788 1.00 0.00 C HETATM 1230 CGA HEM A 83 66.957 -6.379 -0.152 1.00 0.00 C HETATM 1231 O1A HEM A 83 67.401 -6.081 0.945 1.00 0.00 O HETATM 1232 O2A HEM A 83 67.285 -7.378 -0.770 1.00 0.00 O HETATM 1233 NB HEM A 83 64.610 0.273 -3.667 1.00 0.00 N HETATM 1234 C1B HEM A 83 65.087 0.844 -2.502 1.00 0.00 C HETATM 1235 C2B HEM A 83 65.689 2.136 -2.770 1.00 0.00 C HETATM 1236 C3B HEM A 83 65.600 2.314 -4.105 1.00 0.00 C HETATM 1237 C4B HEM A 83 64.909 1.185 -4.642 1.00 0.00 C HETATM 1238 CMB HEM A 83 66.281 3.096 -1.755 1.00 0.00 C HETATM 1239 CAB HEM A 83 66.160 3.415 -5.002 1.00 0.00 C HETATM 1240 CBB HEM A 83 67.654 3.213 -5.260 1.00 0.00 C HETATM 1241 NC HEM A 83 63.382 -1.026 -5.800 1.00 0.00 N HETATM 1242 C1C HEM A 83 63.845 0.041 -6.524 1.00 0.00 C HETATM 1243 C2C HEM A 83 63.390 -0.015 -7.900 1.00 0.00 C HETATM 1244 C3C HEM A 83 62.587 -1.098 -7.983 1.00 0.00 C HETATM 1245 C4C HEM A 83 62.629 -1.734 -6.698 1.00 0.00 C HETATM 1246 CMC HEM A 83 63.759 0.947 -9.019 1.00 0.00 C HETATM 1247 CAC HEM A 83 61.588 -1.518 -9.061 1.00 0.00 C HETATM 1248 CBC HEM A 83 62.246 -1.709 -10.427 1.00 0.00 C HETATM 1249 ND HEM A 83 62.864 -3.171 -4.177 1.00 0.00 N HETATM 1250 C1D HEM A 83 62.167 -3.625 -5.267 1.00 0.00 C HETATM 1251 C2D HEM A 83 61.761 -4.996 -5.108 1.00 0.00 C HETATM 1252 C3D HEM A 83 62.271 -5.405 -3.936 1.00 0.00 C HETATM 1253 C4D HEM A 83 62.886 -4.247 -3.334 1.00 0.00 C HETATM 1254 CMD HEM A 83 60.903 -5.802 -6.064 1.00 0.00 C HETATM 1255 CAD HEM A 83 62.387 -6.842 -3.459 1.00 0.00 C HETATM 1256 CBD HEM A 83 61.286 -7.185 -2.458 1.00 0.00 C HETATM 1257 CGD HEM A 83 60.181 -7.974 -3.164 1.00 0.00 C HETATM 1258 O1D HEM A 83 59.025 -7.754 -2.843 1.00 0.00 O HETATM 1259 O2D HEM A 83 60.511 -8.787 -4.013 1.00 0.00 O HETATM 0 HMA1 HEM A 83 66.348 -0.595 1.155 1.00 0.00 H new HETATM 0 HMA2 HEM A 83 66.387 -2.274 1.743 1.00 0.00 H new HETATM 0 HMA3 HEM A 83 64.951 -1.264 2.033 1.00 0.00 H new HETATM 0 HMB1 HEM A 83 67.082 3.669 -2.221 1.00 0.00 H new HETATM 0 HMB2 HEM A 83 66.681 2.533 -0.912 1.00 0.00 H new HETATM 0 HMB3 HEM A 83 65.506 3.776 -1.402 1.00 0.00 H new HETATM 0 HMC1 HEM A 83 63.954 1.934 -8.600 1.00 0.00 H new HETATM 0 HMC2 HEM A 83 62.936 1.010 -9.731 1.00 0.00 H new HETATM 0 HMC3 HEM A 83 64.652 0.586 -9.529 1.00 0.00 H new HETATM 0 HMD1 HEM A 83 61.181 -6.854 -6.003 1.00 0.00 H new HETATM 0 HMD2 HEM A 83 61.058 -5.444 -7.082 1.00 0.00 H new HETATM 0 HMD3 HEM A 83 59.853 -5.688 -5.795 1.00 0.00 H new HETATM 0 HBB1 HEM A 83 68.200 3.920 -5.885 1.00 0.00 H new HETATM 0 HBB2 HEM A 83 68.173 2.362 -4.819 1.00 0.00 H new HETATM 0 HBC1 HEM A 83 61.644 -2.009 -11.285 1.00 0.00 H new HETATM 0 HBC2 HEM A 83 63.317 -1.545 -10.544 1.00 0.00 H new HETATM 0 HBA1 HEM A 83 66.405 -4.831 -1.554 1.00 0.00 H new HETATM 0 HBA2 HEM A 83 65.150 -6.024 -1.282 1.00 0.00 H new HETATM 0 HAA1 HEM A 83 64.477 -5.063 0.769 1.00 0.00 H new HETATM 0 HAA2 HEM A 83 66.050 -4.353 1.076 1.00 0.00 H new HETATM 0 HBD1 HEM A 83 60.876 -6.272 -2.025 1.00 0.00 H new HETATM 0 HBD2 HEM A 83 61.697 -7.771 -1.636 1.00 0.00 H new HETATM 0 HAD1 HEM A 83 63.362 -6.997 -2.997 1.00 0.00 H new HETATM 0 HAD2 HEM A 83 62.328 -7.517 -4.313 1.00 0.00 H new HETATM 0 HHA HEM A 83 63.476 -5.164 -1.543 1.00 0.00 H new HETATM 0 HHB HEM A 83 65.477 0.741 -0.419 1.00 0.00 H new HETATM 0 HHC HEM A 83 64.858 1.874 -6.628 1.00 0.00 H new HETATM 0 HHD HEM A 83 61.439 -3.384 -7.218 1.00 0.00 H new HETATM 0 HAB HEM A 83 65.571 4.238 -5.406 1.00 0.00 H new HETATM 0 HAC HEM A 83 60.524 -1.665 -8.876 1.00 0.00 H new