USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 938 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 HIS : no HD1:sc= 0.268 K(o=0.95,f=-5.8!) USER MOD Set 1.2: A 89 GLN : amide:sc= 0.683 K(o=0.95,f=-3.3) USER MOD Set 2.1: A 36 SER OG : rot -75:sc= 2.08 USER MOD Set 2.2: A 44 THR OG1 : rot -88:sc= 0.195 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0201 (180deg=-0.367) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0068 USER MOD Single : A 3 THR OG1 : rot -88:sc= 1.26 USER MOD Single : A 4 HIS : no HD1:sc= 0.58 K(o=0.58,f=-3.2!) USER MOD Single : A 10 GLN : amide:sc= 0.662 K(o=0.66,f=-1.2) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 21 HIS : no HD1:sc= -1.97! K(o=-2!,f=0.41) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 23 HIS : no HD1:sc=-4.03e-05 X(o=-4e-05,f=0) USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 30 GLN : amide:sc= -0.928 K(o=-0.93,f=0) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.546 K(o=-0.55,f=-3) USER MOD Single : A 35 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 37 THR OG1 : rot -36:sc= 0.854 USER MOD Single : A 38 GLN : amide:sc= -1.55! C(o=-1.5!,f=-6.7!) USER MOD Single : A 42 MET CE :methyl -127:sc= -1.48 (180deg=-1.89!) USER MOD Single : A 45 MET CE :methyl 155:sc= -0.265 (180deg=-0.974) USER MOD Single : A 52 GLN : amide:sc= 0.789 K(o=0.79,f=-3.4!) USER MOD Single : A 59 MET CE :methyl -147:sc= -1.1 (180deg=-4.93!) USER MOD Single : A 60 HIS : no HD1:sc= -0.84 K(o=-0.84,f=0.25) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 66 LYS NZ :NH3+ -171:sc=-0.00333 (180deg=-0.0777) USER MOD Single : A 67 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.39) USER MOD Single : A 78 TYR OH : rot 144:sc= 1.32 USER MOD Single : A 79 TYR OH : rot 95:sc= -0.696 USER MOD Single : A 81 MET CE :methyl -133:sc= -1.38 (180deg=-2.1) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 172:sc= 1.11 (180deg=0.872) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HD1:sc= -0.01! C(o=-0.01!,f=-4.4!) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.516 -4.312 6.595 1.00 0.00 N ATOM 2 CA MET A 1 -17.789 -3.634 5.308 1.00 0.00 C ATOM 3 C MET A 1 -16.919 -2.393 5.156 1.00 0.00 C ATOM 4 O MET A 1 -16.324 -2.168 4.102 1.00 0.00 O ATOM 5 CB MET A 1 -19.261 -3.227 5.218 1.00 0.00 C ATOM 6 CG MET A 1 -20.233 -4.388 5.345 1.00 0.00 C ATOM 7 SD MET A 1 -21.954 -3.855 5.294 1.00 0.00 S ATOM 8 CE MET A 1 -22.791 -5.403 5.624 1.00 0.00 C ATOM 0 H1 MET A 1 -17.946 -5.259 6.587 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.489 -4.399 6.730 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.921 -3.755 7.374 1.00 0.00 H new ATOM 0 HA MET A 1 -17.556 -4.336 4.507 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.475 -2.500 6.002 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.431 -2.727 4.265 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.052 -5.099 4.539 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.046 -4.913 6.282 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.869 -5.241 5.626 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.534 -6.127 4.851 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.480 -5.785 6.596 1.00 0.00 H new ATOM 20 N THR A 2 -16.819 -1.612 6.226 1.00 0.00 N ATOM 21 CA THR A 2 -16.179 -0.303 6.181 1.00 0.00 C ATOM 22 C THR A 2 -14.648 -0.413 6.171 1.00 0.00 C ATOM 23 O THR A 2 -13.938 0.596 6.160 1.00 0.00 O ATOM 24 CB THR A 2 -16.636 0.537 7.388 1.00 0.00 C ATOM 25 OG1 THR A 2 -18.004 0.220 7.692 1.00 0.00 O ATOM 26 CG2 THR A 2 -16.523 2.027 7.093 1.00 0.00 C ATOM 0 H THR A 2 -17.178 -1.868 7.146 1.00 0.00 H new ATOM 0 HA THR A 2 -16.479 0.184 5.253 1.00 0.00 H new ATOM 0 HB THR A 2 -15.993 0.302 8.236 1.00 0.00 H new ATOM 0 HG1 THR A 2 -18.300 0.751 8.461 1.00 0.00 H new ATOM 0 HG21 THR A 2 -16.852 2.596 7.962 1.00 0.00 H new ATOM 0 HG22 THR A 2 -15.486 2.276 6.868 1.00 0.00 H new ATOM 0 HG23 THR A 2 -17.150 2.277 6.237 1.00 0.00 H new ATOM 34 N THR A 3 -14.141 -1.638 6.163 1.00 0.00 N ATOM 35 CA THR A 3 -12.705 -1.869 6.104 1.00 0.00 C ATOM 36 C THR A 3 -12.157 -1.535 4.714 1.00 0.00 C ATOM 37 O THR A 3 -10.991 -1.160 4.568 1.00 0.00 O ATOM 38 CB THR A 3 -12.366 -3.325 6.474 1.00 0.00 C ATOM 39 OG1 THR A 3 -12.868 -3.616 7.784 1.00 0.00 O ATOM 40 CG2 THR A 3 -10.869 -3.571 6.430 1.00 0.00 C ATOM 0 H THR A 3 -14.704 -2.488 6.197 1.00 0.00 H new ATOM 0 HA THR A 3 -12.231 -1.210 6.831 1.00 0.00 H new ATOM 0 HB THR A 3 -12.837 -3.982 5.743 1.00 0.00 H new ATOM 0 HG1 THR A 3 -12.192 -3.381 8.453 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.663 -4.608 6.696 1.00 0.00 H new ATOM 0 HG22 THR A 3 -10.497 -3.374 5.425 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.370 -2.909 7.138 1.00 0.00 H new ATOM 48 N HIS A 4 -13.005 -1.659 3.697 1.00 0.00 N ATOM 49 CA HIS A 4 -12.634 -1.252 2.343 1.00 0.00 C ATOM 50 C HIS A 4 -12.229 0.212 2.343 1.00 0.00 C ATOM 51 O HIS A 4 -11.210 0.598 1.764 1.00 0.00 O ATOM 52 CB HIS A 4 -13.800 -1.428 1.368 1.00 0.00 C ATOM 53 CG HIS A 4 -14.166 -2.842 1.064 1.00 0.00 C ATOM 54 ND1 HIS A 4 -15.462 -3.302 1.104 1.00 0.00 N ATOM 55 CD2 HIS A 4 -13.411 -3.886 0.661 1.00 0.00 C ATOM 56 CE1 HIS A 4 -15.487 -4.568 0.740 1.00 0.00 C ATOM 57 NE2 HIS A 4 -14.253 -4.951 0.461 1.00 0.00 N ATOM 0 H HIS A 4 -13.949 -2.036 3.782 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.805 -1.883 2.023 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -14.675 -0.923 1.778 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -13.550 -0.925 0.434 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -12.340 -3.884 0.521 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -16.368 -5.189 0.680 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.974 -5.881 0.150 1.00 0.00 H new ATOM 66 N ASP A 5 -13.048 1.010 3.012 1.00 0.00 N ATOM 67 CA ASP A 5 -12.845 2.446 3.121 1.00 0.00 C ATOM 68 C ASP A 5 -11.510 2.752 3.784 1.00 0.00 C ATOM 69 O ASP A 5 -10.839 3.724 3.431 1.00 0.00 O ATOM 70 CB ASP A 5 -13.987 3.068 3.929 1.00 0.00 C ATOM 71 CG ASP A 5 -15.353 2.786 3.326 1.00 0.00 C ATOM 72 OD1 ASP A 5 -15.756 1.601 3.274 1.00 0.00 O ATOM 73 OD2 ASP A 5 -16.031 3.744 2.909 1.00 0.00 O ATOM 0 H ASP A 5 -13.880 0.675 3.499 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.836 2.875 2.119 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -13.958 2.682 4.948 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -13.837 4.146 3.992 1.00 0.00 H new ATOM 78 N ARG A 6 -11.127 1.912 4.745 1.00 0.00 N ATOM 79 CA ARG A 6 -9.851 2.064 5.441 1.00 0.00 C ATOM 80 C ARG A 6 -8.698 1.994 4.453 1.00 0.00 C ATOM 81 O ARG A 6 -7.872 2.903 4.376 1.00 0.00 O ATOM 82 CB ARG A 6 -9.653 0.962 6.485 1.00 0.00 C ATOM 83 CG ARG A 6 -10.704 0.914 7.578 1.00 0.00 C ATOM 84 CD ARG A 6 -10.290 -0.063 8.669 1.00 0.00 C ATOM 85 NE ARG A 6 -11.290 -0.191 9.724 1.00 0.00 N ATOM 86 CZ ARG A 6 -11.415 0.652 10.749 1.00 0.00 C ATOM 87 NH1 ARG A 6 -10.628 1.717 10.849 1.00 0.00 N ATOM 88 NH2 ARG A 6 -12.322 0.417 11.683 1.00 0.00 N ATOM 0 H ARG A 6 -11.684 1.118 5.059 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.867 3.035 5.937 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -9.637 -0.001 5.975 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -8.675 1.093 6.948 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -10.841 1.908 8.004 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -11.663 0.613 7.156 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -10.110 -1.042 8.224 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -9.347 0.266 9.106 1.00 0.00 H new ATOM 0 HE ARG A 6 -11.937 -0.978 9.674 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.920 1.896 10.137 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -10.732 2.356 11.637 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -12.921 -0.406 11.617 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -12.422 1.059 12.470 1.00 0.00 H new ATOM 102 N VAL A 7 -8.668 0.909 3.688 1.00 0.00 N ATOM 103 CA VAL A 7 -7.572 0.642 2.769 1.00 0.00 C ATOM 104 C VAL A 7 -7.436 1.752 1.734 1.00 0.00 C ATOM 105 O VAL A 7 -6.327 2.131 1.364 1.00 0.00 O ATOM 106 CB VAL A 7 -7.759 -0.712 2.047 1.00 0.00 C ATOM 107 CG1 VAL A 7 -6.567 -1.024 1.151 1.00 0.00 C ATOM 108 CG2 VAL A 7 -7.977 -1.831 3.057 1.00 0.00 C ATOM 0 H VAL A 7 -9.397 0.196 3.688 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.661 0.600 3.366 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.644 -0.638 1.416 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.725 -1.982 0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.461 -0.240 0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.661 -1.073 1.755 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.107 -2.776 2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.112 -1.899 3.717 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -8.868 -1.620 3.648 1.00 0.00 H new ATOM 118 N ARG A 8 -8.563 2.293 1.289 1.00 0.00 N ATOM 119 CA ARG A 8 -8.543 3.334 0.272 1.00 0.00 C ATOM 120 C ARG A 8 -7.907 4.607 0.819 1.00 0.00 C ATOM 121 O ARG A 8 -7.079 5.233 0.154 1.00 0.00 O ATOM 122 CB ARG A 8 -9.951 3.627 -0.244 1.00 0.00 C ATOM 123 CG ARG A 8 -9.951 4.349 -1.581 1.00 0.00 C ATOM 124 CD ARG A 8 -11.359 4.639 -2.066 1.00 0.00 C ATOM 125 NE ARG A 8 -11.967 5.762 -1.361 1.00 0.00 N ATOM 126 CZ ARG A 8 -12.646 6.737 -1.966 1.00 0.00 C ATOM 127 NH1 ARG A 8 -12.849 6.694 -3.280 1.00 0.00 N ATOM 128 NH2 ARG A 8 -13.133 7.745 -1.251 1.00 0.00 N ATOM 0 H ARG A 8 -9.494 2.031 1.613 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.942 2.973 -0.563 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.499 2.690 -0.343 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.483 4.232 0.490 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.399 5.284 -1.489 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.429 3.742 -2.321 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.336 4.853 -3.134 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.977 3.751 -1.932 1.00 0.00 H new ATOM 0 HE ARG A 8 -11.867 5.804 -0.347 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -12.485 5.914 -3.827 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -13.369 7.441 -3.740 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -12.987 7.772 -0.242 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -13.653 8.492 -1.711 1.00 0.00 H new ATOM 142 N LEU A 9 -8.287 4.977 2.037 1.00 0.00 N ATOM 143 CA LEU A 9 -7.706 6.146 2.688 1.00 0.00 C ATOM 144 C LEU A 9 -6.232 5.913 2.985 1.00 0.00 C ATOM 145 O LEU A 9 -5.436 6.851 3.002 1.00 0.00 O ATOM 146 CB LEU A 9 -8.446 6.489 3.983 1.00 0.00 C ATOM 147 CG LEU A 9 -9.919 6.875 3.825 1.00 0.00 C ATOM 148 CD1 LEU A 9 -10.447 7.471 5.120 1.00 0.00 C ATOM 149 CD2 LEU A 9 -10.104 7.853 2.675 1.00 0.00 C ATOM 0 H LEU A 9 -8.990 4.488 2.591 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.806 6.987 2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.384 5.631 4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.924 7.312 4.471 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.487 5.973 3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.495 7.742 4.995 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.354 6.739 5.922 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.870 8.361 5.373 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.159 8.112 2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.524 8.756 2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.761 7.393 1.748 1.00 0.00 H new ATOM 161 N GLN A 10 -5.871 4.657 3.216 1.00 0.00 N ATOM 162 CA GLN A 10 -4.485 4.305 3.477 1.00 0.00 C ATOM 163 C GLN A 10 -3.674 4.344 2.185 1.00 0.00 C ATOM 164 O GLN A 10 -2.492 4.688 2.195 1.00 0.00 O ATOM 165 CB GLN A 10 -4.388 2.927 4.135 1.00 0.00 C ATOM 166 CG GLN A 10 -2.972 2.550 4.538 1.00 0.00 C ATOM 167 CD GLN A 10 -2.316 3.611 5.400 1.00 0.00 C ATOM 168 OE1 GLN A 10 -2.979 4.308 6.169 1.00 0.00 O ATOM 169 NE2 GLN A 10 -1.012 3.753 5.265 1.00 0.00 N ATOM 0 H GLN A 10 -6.518 3.869 3.228 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.069 5.038 4.168 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.027 2.908 5.018 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.774 2.176 3.446 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.991 1.605 5.081 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.372 2.391 3.642 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -0.498 3.156 4.617 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.517 4.460 5.809 1.00 0.00 H new ATOM 178 N LEU A 11 -4.313 4.002 1.074 1.00 0.00 N ATOM 179 CA LEU A 11 -3.675 4.116 -0.232 1.00 0.00 C ATOM 180 C LEU A 11 -3.388 5.576 -0.546 1.00 0.00 C ATOM 181 O LEU A 11 -2.382 5.900 -1.168 1.00 0.00 O ATOM 182 CB LEU A 11 -4.551 3.511 -1.331 1.00 0.00 C ATOM 183 CG LEU A 11 -4.747 1.996 -1.258 1.00 0.00 C ATOM 184 CD1 LEU A 11 -5.673 1.528 -2.368 1.00 0.00 C ATOM 185 CD2 LEU A 11 -3.406 1.276 -1.339 1.00 0.00 C ATOM 0 H LEU A 11 -5.268 3.645 1.050 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.738 3.561 -0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.530 3.989 -1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.112 3.757 -2.298 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.206 1.754 -0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.802 0.448 -2.303 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.642 2.017 -2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.240 1.784 -3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.567 0.199 -1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.917 1.523 -2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.774 1.590 -0.509 1.00 0.00 H new ATOM 197 N GLN A 12 -4.279 6.454 -0.102 1.00 0.00 N ATOM 198 CA GLN A 12 -4.091 7.886 -0.276 1.00 0.00 C ATOM 199 C GLN A 12 -3.096 8.427 0.747 1.00 0.00 C ATOM 200 O GLN A 12 -2.405 9.413 0.489 1.00 0.00 O ATOM 201 CB GLN A 12 -5.427 8.619 -0.163 1.00 0.00 C ATOM 202 CG GLN A 12 -6.394 8.287 -1.289 1.00 0.00 C ATOM 203 CD GLN A 12 -7.720 9.004 -1.151 1.00 0.00 C ATOM 204 OE1 GLN A 12 -8.179 9.276 -0.044 1.00 0.00 O ATOM 205 NE2 GLN A 12 -8.342 9.321 -2.274 1.00 0.00 N ATOM 0 H GLN A 12 -5.140 6.197 0.382 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.685 8.059 -1.273 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.891 8.368 0.791 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.244 9.694 -0.156 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.939 8.553 -2.243 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.568 7.211 -1.308 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -7.927 9.077 -3.173 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.237 9.809 -2.241 1.00 0.00 H new ATOM 214 N ALA A 13 -3.027 7.780 1.906 1.00 0.00 N ATOM 215 CA ALA A 13 -2.029 8.119 2.914 1.00 0.00 C ATOM 216 C ALA A 13 -0.640 7.768 2.400 1.00 0.00 C ATOM 217 O ALA A 13 0.286 8.577 2.458 1.00 0.00 O ATOM 218 CB ALA A 13 -2.311 7.389 4.219 1.00 0.00 C ATOM 0 H ALA A 13 -3.651 7.018 2.170 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.078 9.190 3.109 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.554 7.657 4.956 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.296 7.674 4.590 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.285 6.313 4.047 1.00 0.00 H new ATOM 224 N LEU A 14 -0.509 6.551 1.886 1.00 0.00 N ATOM 225 CA LEU A 14 0.728 6.113 1.258 1.00 0.00 C ATOM 226 C LEU A 14 1.038 6.994 0.054 1.00 0.00 C ATOM 227 O LEU A 14 2.191 7.348 -0.191 1.00 0.00 O ATOM 228 CB LEU A 14 0.605 4.650 0.828 1.00 0.00 C ATOM 229 CG LEU A 14 1.849 4.053 0.170 1.00 0.00 C ATOM 230 CD1 LEU A 14 3.025 4.065 1.136 1.00 0.00 C ATOM 231 CD2 LEU A 14 1.561 2.638 -0.302 1.00 0.00 C ATOM 0 H LEU A 14 -1.249 5.849 1.893 1.00 0.00 H new ATOM 0 HA LEU A 14 1.544 6.199 1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.355 4.051 1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.230 4.562 0.133 1.00 0.00 H new ATOM 0 HG LEU A 14 2.113 4.663 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.901 3.636 0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.241 5.091 1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.776 3.476 2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.453 2.222 -0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.276 2.021 0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.746 2.655 -1.026 1.00 0.00 H new ATOM 243 N GLU A 15 -0.012 7.348 -0.682 1.00 0.00 N ATOM 244 CA GLU A 15 0.098 8.263 -1.810 1.00 0.00 C ATOM 245 C GLU A 15 0.730 9.579 -1.366 1.00 0.00 C ATOM 246 O GLU A 15 1.631 10.093 -2.023 1.00 0.00 O ATOM 247 CB GLU A 15 -1.286 8.528 -2.405 1.00 0.00 C ATOM 248 CG GLU A 15 -1.273 9.401 -3.644 1.00 0.00 C ATOM 249 CD GLU A 15 -2.662 9.817 -4.073 1.00 0.00 C ATOM 250 OE1 GLU A 15 -3.451 8.946 -4.499 1.00 0.00 O ATOM 251 OE2 GLU A 15 -2.971 11.026 -3.993 1.00 0.00 O ATOM 0 H GLU A 15 -0.959 7.009 -0.513 1.00 0.00 H new ATOM 0 HA GLU A 15 0.733 7.806 -2.569 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.752 7.574 -2.651 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.910 9.001 -1.647 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.674 10.291 -3.451 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.790 8.862 -4.459 1.00 0.00 H new ATOM 258 N ALA A 16 0.258 10.106 -0.240 1.00 0.00 N ATOM 259 CA ALA A 16 0.776 11.353 0.307 1.00 0.00 C ATOM 260 C ALA A 16 2.237 11.205 0.721 1.00 0.00 C ATOM 261 O ALA A 16 3.049 12.099 0.487 1.00 0.00 O ATOM 262 CB ALA A 16 -0.068 11.806 1.489 1.00 0.00 C ATOM 0 H ALA A 16 -0.488 9.684 0.314 1.00 0.00 H new ATOM 0 HA ALA A 16 0.721 12.112 -0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.333 12.739 1.886 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.096 11.962 1.163 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.046 11.042 2.266 1.00 0.00 H new ATOM 268 N LEU A 17 2.568 10.070 1.326 1.00 0.00 N ATOM 269 CA LEU A 17 3.942 9.793 1.724 1.00 0.00 C ATOM 270 C LEU A 17 4.844 9.725 0.493 1.00 0.00 C ATOM 271 O LEU A 17 5.894 10.367 0.444 1.00 0.00 O ATOM 272 CB LEU A 17 4.010 8.488 2.534 1.00 0.00 C ATOM 273 CG LEU A 17 5.395 8.115 3.080 1.00 0.00 C ATOM 274 CD1 LEU A 17 5.266 7.449 4.439 1.00 0.00 C ATOM 275 CD2 LEU A 17 6.125 7.183 2.119 1.00 0.00 C ATOM 0 H LEU A 17 1.905 9.328 1.551 1.00 0.00 H new ATOM 0 HA LEU A 17 4.297 10.603 2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.318 8.566 3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.656 7.672 1.904 1.00 0.00 H new ATOM 0 HG LEU A 17 5.974 9.033 3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.257 7.190 4.813 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.783 8.134 5.136 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.666 6.544 4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.104 6.933 2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.544 6.271 1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.250 7.678 1.156 1.00 0.00 H new ATOM 287 N LEU A 18 4.422 8.963 -0.508 1.00 0.00 N ATOM 288 CA LEU A 18 5.169 8.860 -1.757 1.00 0.00 C ATOM 289 C LEU A 18 5.242 10.224 -2.438 1.00 0.00 C ATOM 290 O LEU A 18 6.228 10.555 -3.093 1.00 0.00 O ATOM 291 CB LEU A 18 4.509 7.839 -2.688 1.00 0.00 C ATOM 292 CG LEU A 18 4.456 6.409 -2.147 1.00 0.00 C ATOM 293 CD1 LEU A 18 3.603 5.531 -3.046 1.00 0.00 C ATOM 294 CD2 LEU A 18 5.858 5.831 -2.014 1.00 0.00 C ATOM 0 H LEU A 18 3.567 8.407 -0.480 1.00 0.00 H new ATOM 0 HA LEU A 18 6.181 8.524 -1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.492 8.169 -2.901 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.047 7.833 -3.636 1.00 0.00 H new ATOM 0 HG LEU A 18 4.001 6.436 -1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.577 4.517 -2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.590 5.930 -3.089 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.030 5.514 -4.049 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.797 4.814 -1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.341 5.820 -2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.441 6.445 -1.328 1.00 0.00 H new ATOM 306 N ARG A 19 4.187 11.002 -2.261 1.00 0.00 N ATOM 307 CA ARG A 19 4.104 12.360 -2.780 1.00 0.00 C ATOM 308 C ARG A 19 5.181 13.249 -2.159 1.00 0.00 C ATOM 309 O ARG A 19 5.961 13.878 -2.875 1.00 0.00 O ATOM 310 CB ARG A 19 2.709 12.913 -2.486 1.00 0.00 C ATOM 311 CG ARG A 19 2.511 14.372 -2.835 1.00 0.00 C ATOM 312 CD ARG A 19 1.113 14.819 -2.443 1.00 0.00 C ATOM 313 NE ARG A 19 0.881 16.227 -2.725 1.00 0.00 N ATOM 314 CZ ARG A 19 0.066 16.665 -3.679 1.00 0.00 C ATOM 315 NH1 ARG A 19 -0.607 15.803 -4.436 1.00 0.00 N ATOM 316 NH2 ARG A 19 -0.084 17.966 -3.869 1.00 0.00 N ATOM 0 H ARG A 19 3.356 10.707 -1.749 1.00 0.00 H new ATOM 0 HA ARG A 19 4.274 12.348 -3.857 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.977 12.321 -3.036 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.497 12.777 -1.425 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.254 14.981 -2.319 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.662 14.522 -3.904 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.379 14.218 -2.980 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.960 14.634 -1.380 1.00 0.00 H new ATOM 0 HE ARG A 19 1.372 16.918 -2.158 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.499 14.800 -4.286 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.231 16.145 -5.167 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.425 18.629 -3.284 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.709 18.306 -4.600 1.00 0.00 H new ATOM 330 N GLU A 20 5.226 13.283 -0.828 1.00 0.00 N ATOM 331 CA GLU A 20 6.213 14.086 -0.112 1.00 0.00 C ATOM 332 C GLU A 20 7.626 13.628 -0.437 1.00 0.00 C ATOM 333 O GLU A 20 8.517 14.439 -0.672 1.00 0.00 O ATOM 334 CB GLU A 20 5.999 13.992 1.397 1.00 0.00 C ATOM 335 CG GLU A 20 4.667 14.540 1.874 1.00 0.00 C ATOM 336 CD GLU A 20 4.503 14.404 3.373 1.00 0.00 C ATOM 337 OE1 GLU A 20 4.019 13.347 3.830 1.00 0.00 O ATOM 338 OE2 GLU A 20 4.878 15.344 4.103 1.00 0.00 O ATOM 0 H GLU A 20 4.589 12.763 -0.224 1.00 0.00 H new ATOM 0 HA GLU A 20 6.085 15.120 -0.434 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.078 12.948 1.699 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.802 14.531 1.900 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.586 15.590 1.594 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.857 14.012 1.371 1.00 0.00 H new ATOM 345 N HIS A 21 7.822 12.315 -0.463 1.00 0.00 N ATOM 346 CA HIS A 21 9.146 11.747 -0.694 1.00 0.00 C ATOM 347 C HIS A 21 9.441 11.638 -2.186 1.00 0.00 C ATOM 348 O HIS A 21 10.400 10.978 -2.596 1.00 0.00 O ATOM 349 CB HIS A 21 9.274 10.387 -0.002 1.00 0.00 C ATOM 350 CG HIS A 21 9.182 10.487 1.492 1.00 0.00 C ATOM 351 ND1 HIS A 21 10.273 10.682 2.305 1.00 0.00 N ATOM 352 CD2 HIS A 21 8.109 10.455 2.316 1.00 0.00 C ATOM 353 CE1 HIS A 21 9.876 10.767 3.560 1.00 0.00 C ATOM 354 NE2 HIS A 21 8.563 10.634 3.596 1.00 0.00 N ATOM 0 H HIS A 21 7.083 11.625 -0.327 1.00 0.00 H new ATOM 0 HA HIS A 21 9.888 12.418 -0.261 1.00 0.00 H new ATOM 0 HB2 HIS A 21 8.490 9.723 -0.367 1.00 0.00 H new ATOM 0 HB3 HIS A 21 10.227 9.934 -0.274 1.00 0.00 H new ATOM 0 HD2 HIS A 21 7.080 10.314 2.018 1.00 0.00 H new ATOM 0 HE1 HIS A 21 10.518 10.920 4.415 1.00 0.00 H new ATOM 0 HE2 HIS A 21 7.984 10.660 4.435 1.00 0.00 H new ATOM 363 N GLN A 22 8.593 12.288 -2.981 1.00 0.00 N ATOM 364 CA GLN A 22 8.820 12.491 -4.412 1.00 0.00 C ATOM 365 C GLN A 22 9.015 11.184 -5.177 1.00 0.00 C ATOM 366 O GLN A 22 9.834 11.101 -6.088 1.00 0.00 O ATOM 367 CB GLN A 22 10.024 13.409 -4.622 1.00 0.00 C ATOM 368 CG GLN A 22 9.904 14.733 -3.886 1.00 0.00 C ATOM 369 CD GLN A 22 11.112 15.623 -4.088 1.00 0.00 C ATOM 370 OE1 GLN A 22 12.229 15.144 -4.288 1.00 0.00 O ATOM 371 NE2 GLN A 22 10.896 16.928 -4.027 1.00 0.00 N ATOM 0 H GLN A 22 7.719 12.693 -2.647 1.00 0.00 H new ATOM 0 HA GLN A 22 7.921 12.957 -4.814 1.00 0.00 H new ATOM 0 HB2 GLN A 22 10.926 12.896 -4.289 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.143 13.603 -5.688 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.011 15.255 -4.229 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.772 14.542 -2.821 1.00 0.00 H new ATOM 0 HE21 GLN A 22 9.954 17.282 -3.859 1.00 0.00 H new ATOM 0 HE22 GLN A 22 11.671 17.579 -4.148 1.00 0.00 H new ATOM 380 N HIS A 23 8.253 10.169 -4.815 1.00 0.00 N ATOM 381 CA HIS A 23 8.200 8.951 -5.609 1.00 0.00 C ATOM 382 C HIS A 23 6.903 8.921 -6.392 1.00 0.00 C ATOM 383 O HIS A 23 6.690 8.062 -7.246 1.00 0.00 O ATOM 384 CB HIS A 23 8.336 7.701 -4.736 1.00 0.00 C ATOM 385 CG HIS A 23 9.758 7.327 -4.457 1.00 0.00 C ATOM 386 ND1 HIS A 23 10.427 6.346 -5.153 1.00 0.00 N ATOM 387 CD2 HIS A 23 10.641 7.815 -3.559 1.00 0.00 C ATOM 388 CE1 HIS A 23 11.660 6.248 -4.695 1.00 0.00 C ATOM 389 NE2 HIS A 23 11.820 7.131 -3.727 1.00 0.00 N ATOM 0 H HIS A 23 7.665 10.161 -3.982 1.00 0.00 H new ATOM 0 HA HIS A 23 9.043 8.950 -6.300 1.00 0.00 H new ATOM 0 HB2 HIS A 23 7.819 7.868 -3.791 1.00 0.00 H new ATOM 0 HB3 HIS A 23 7.838 6.866 -5.229 1.00 0.00 H new ATOM 0 HD2 HIS A 23 10.454 8.599 -2.840 1.00 0.00 H new ATOM 0 HE1 HIS A 23 12.413 5.561 -5.052 1.00 0.00 H new ATOM 0 HE2 HIS A 23 12.676 7.280 -3.193 1.00 0.00 H new ATOM 398 N TRP A 24 6.041 9.884 -6.099 1.00 0.00 N ATOM 399 CA TRP A 24 4.772 10.010 -6.784 1.00 0.00 C ATOM 400 C TRP A 24 4.924 10.928 -7.988 1.00 0.00 C ATOM 401 O TRP A 24 4.795 12.149 -7.872 1.00 0.00 O ATOM 402 CB TRP A 24 3.711 10.563 -5.835 1.00 0.00 C ATOM 403 CG TRP A 24 2.311 10.375 -6.341 1.00 0.00 C ATOM 404 CD1 TRP A 24 1.503 11.325 -6.898 1.00 0.00 C ATOM 405 CD2 TRP A 24 1.558 9.156 -6.345 1.00 0.00 C ATOM 406 NE1 TRP A 24 0.294 10.772 -7.247 1.00 0.00 N ATOM 407 CE2 TRP A 24 0.303 9.440 -6.918 1.00 0.00 C ATOM 408 CE3 TRP A 24 1.825 7.851 -5.922 1.00 0.00 C ATOM 409 CZ2 TRP A 24 -0.680 8.468 -7.077 1.00 0.00 C ATOM 410 CZ3 TRP A 24 0.847 6.888 -6.079 1.00 0.00 C ATOM 411 CH2 TRP A 24 -0.391 7.199 -6.653 1.00 0.00 C ATOM 0 H TRP A 24 6.204 10.593 -5.384 1.00 0.00 H new ATOM 0 HA TRP A 24 4.456 9.024 -7.125 1.00 0.00 H new ATOM 0 HB2 TRP A 24 3.809 10.074 -4.866 1.00 0.00 H new ATOM 0 HB3 TRP A 24 3.893 11.626 -5.676 1.00 0.00 H new ATOM 0 HD1 TRP A 24 1.775 12.360 -7.043 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.483 11.271 -7.680 1.00 0.00 H new ATOM 0 HE3 TRP A 24 2.778 7.600 -5.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -1.636 8.706 -7.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.041 5.877 -5.753 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.133 6.422 -6.764 1.00 0.00 H new ATOM 422 N ARG A 25 5.233 10.344 -9.131 1.00 0.00 N ATOM 423 CA ARG A 25 5.425 11.114 -10.347 1.00 0.00 C ATOM 424 C ARG A 25 4.339 10.812 -11.363 1.00 0.00 C ATOM 425 O ARG A 25 3.578 9.858 -11.215 1.00 0.00 O ATOM 426 CB ARG A 25 6.791 10.831 -10.966 1.00 0.00 C ATOM 427 CG ARG A 25 7.956 11.405 -10.184 1.00 0.00 C ATOM 428 CD ARG A 25 9.227 11.394 -11.018 1.00 0.00 C ATOM 429 NE ARG A 25 9.012 12.008 -12.330 1.00 0.00 N ATOM 430 CZ ARG A 25 9.014 13.323 -12.553 1.00 0.00 C ATOM 431 NH1 ARG A 25 9.287 14.175 -11.569 1.00 0.00 N ATOM 432 NH2 ARG A 25 8.741 13.783 -13.767 1.00 0.00 N ATOM 0 H ARG A 25 5.357 9.338 -9.243 1.00 0.00 H new ATOM 0 HA ARG A 25 5.371 12.168 -10.073 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.922 9.752 -11.053 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.811 11.237 -11.977 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.726 12.425 -9.878 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.109 10.826 -9.273 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.015 11.930 -10.489 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.570 10.368 -11.147 1.00 0.00 H new ATOM 0 HE ARG A 25 8.850 11.390 -13.125 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.497 13.824 -10.634 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.286 15.179 -11.749 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.531 13.132 -14.524 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.741 14.788 -13.944 1.00 0.00 H new ATOM 446 N ASN A 26 4.288 11.635 -12.400 1.00 0.00 N ATOM 447 CA ASN A 26 3.331 11.457 -13.484 1.00 0.00 C ATOM 448 C ASN A 26 3.838 10.395 -14.455 1.00 0.00 C ATOM 449 O ASN A 26 3.075 9.822 -15.235 1.00 0.00 O ATOM 450 CB ASN A 26 3.123 12.791 -14.212 1.00 0.00 C ATOM 451 CG ASN A 26 2.017 12.740 -15.250 1.00 0.00 C ATOM 452 OD1 ASN A 26 1.044 11.999 -15.108 1.00 0.00 O ATOM 453 ND2 ASN A 26 2.155 13.539 -16.297 1.00 0.00 N ATOM 0 H ASN A 26 4.904 12.440 -12.514 1.00 0.00 H new ATOM 0 HA ASN A 26 2.377 11.126 -13.074 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.890 13.564 -13.480 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.055 13.082 -14.697 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.439 13.556 -17.024 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.977 14.138 -16.377 1.00 0.00 H new ATOM 460 N ASP A 27 5.134 10.129 -14.386 1.00 0.00 N ATOM 461 CA ASP A 27 5.773 9.159 -15.263 1.00 0.00 C ATOM 462 C ASP A 27 5.654 7.759 -14.684 1.00 0.00 C ATOM 463 O ASP A 27 6.067 7.511 -13.548 1.00 0.00 O ATOM 464 CB ASP A 27 7.254 9.493 -15.451 1.00 0.00 C ATOM 465 CG ASP A 27 7.494 10.886 -15.995 1.00 0.00 C ATOM 466 OD1 ASP A 27 7.470 11.851 -15.204 1.00 0.00 O ATOM 467 OD2 ASP A 27 7.739 11.020 -17.211 1.00 0.00 O ATOM 0 H ASP A 27 5.769 10.576 -13.725 1.00 0.00 H new ATOM 0 HA ASP A 27 5.268 9.200 -16.228 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.766 9.392 -14.494 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.699 8.765 -16.129 1.00 0.00 H new ATOM 472 N GLU A 28 5.090 6.847 -15.459 1.00 0.00 N ATOM 473 CA GLU A 28 5.001 5.457 -15.045 1.00 0.00 C ATOM 474 C GLU A 28 6.074 4.622 -15.743 1.00 0.00 C ATOM 475 O GLU A 28 6.471 4.928 -16.871 1.00 0.00 O ATOM 476 CB GLU A 28 3.597 4.880 -15.304 1.00 0.00 C ATOM 477 CG GLU A 28 2.720 5.703 -16.243 1.00 0.00 C ATOM 478 CD GLU A 28 3.220 5.726 -17.672 1.00 0.00 C ATOM 479 OE1 GLU A 28 2.934 4.769 -18.424 1.00 0.00 O ATOM 480 OE2 GLU A 28 3.891 6.708 -18.052 1.00 0.00 O ATOM 0 H GLU A 28 4.688 7.044 -16.376 1.00 0.00 H new ATOM 0 HA GLU A 28 5.176 5.415 -13.970 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.704 3.878 -15.718 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.082 4.777 -14.349 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.707 5.300 -16.227 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.662 6.726 -15.870 1.00 0.00 H new ATOM 487 N PRO A 29 6.592 3.590 -15.052 1.00 0.00 N ATOM 488 CA PRO A 29 7.620 2.689 -15.592 1.00 0.00 C ATOM 489 C PRO A 29 7.220 2.037 -16.915 1.00 0.00 C ATOM 490 O PRO A 29 6.046 2.038 -17.297 1.00 0.00 O ATOM 491 CB PRO A 29 7.773 1.624 -14.505 1.00 0.00 C ATOM 492 CG PRO A 29 7.325 2.293 -13.255 1.00 0.00 C ATOM 493 CD PRO A 29 6.233 3.239 -13.666 1.00 0.00 C ATOM 0 HA PRO A 29 8.537 3.232 -15.818 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.166 0.745 -14.723 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.806 1.286 -14.425 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.959 1.565 -12.531 1.00 0.00 H new ATOM 0 HG3 PRO A 29 8.148 2.828 -12.781 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.251 2.768 -13.612 1.00 0.00 H new ATOM 0 HD3 PRO A 29 6.200 4.119 -13.024 1.00 0.00 H new ATOM 501 N GLN A 30 8.211 1.470 -17.594 1.00 0.00 N ATOM 502 CA GLN A 30 8.025 0.866 -18.911 1.00 0.00 C ATOM 503 C GLN A 30 6.964 -0.239 -18.884 1.00 0.00 C ATOM 504 O GLN A 30 6.859 -0.988 -17.913 1.00 0.00 O ATOM 505 CB GLN A 30 9.360 0.299 -19.406 1.00 0.00 C ATOM 506 CG GLN A 30 9.949 -0.755 -18.480 1.00 0.00 C ATOM 507 CD GLN A 30 11.273 -1.312 -18.967 1.00 0.00 C ATOM 508 OE1 GLN A 30 11.598 -2.474 -18.723 1.00 0.00 O ATOM 509 NE2 GLN A 30 12.053 -0.488 -19.645 1.00 0.00 N ATOM 0 H GLN A 30 9.169 1.415 -17.247 1.00 0.00 H new ATOM 0 HA GLN A 30 7.675 1.641 -19.593 1.00 0.00 H new ATOM 0 HB2 GLN A 30 9.217 -0.136 -20.395 1.00 0.00 H new ATOM 0 HB3 GLN A 30 10.074 1.115 -19.517 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.088 -0.321 -17.490 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.237 -1.573 -18.373 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.749 0.468 -19.827 1.00 0.00 H new ATOM 0 HE22 GLN A 30 12.959 -0.808 -19.986 1.00 0.00 H new ATOM 518 N PRO A 31 6.159 -0.350 -19.956 1.00 0.00 N ATOM 519 CA PRO A 31 5.129 -1.392 -20.074 1.00 0.00 C ATOM 520 C PRO A 31 5.730 -2.797 -20.072 1.00 0.00 C ATOM 521 O PRO A 31 5.079 -3.762 -19.665 1.00 0.00 O ATOM 522 CB PRO A 31 4.462 -1.099 -21.422 1.00 0.00 C ATOM 523 CG PRO A 31 4.813 0.317 -21.730 1.00 0.00 C ATOM 524 CD PRO A 31 6.168 0.540 -21.129 1.00 0.00 C ATOM 0 HA PRO A 31 4.435 -1.372 -19.233 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.827 -1.773 -22.197 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.382 -1.234 -21.365 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.829 0.491 -22.806 1.00 0.00 H new ATOM 0 HG3 PRO A 31 4.079 1.003 -21.307 1.00 0.00 H new ATOM 0 HD2 PRO A 31 6.966 0.282 -21.825 1.00 0.00 H new ATOM 0 HD3 PRO A 31 6.317 1.582 -20.845 1.00 0.00 H new ATOM 532 N HIS A 32 6.980 -2.903 -20.516 1.00 0.00 N ATOM 533 CA HIS A 32 7.698 -4.177 -20.507 1.00 0.00 C ATOM 534 C HIS A 32 7.894 -4.671 -19.074 1.00 0.00 C ATOM 535 O HIS A 32 8.038 -5.866 -18.830 1.00 0.00 O ATOM 536 CB HIS A 32 9.052 -4.017 -21.211 1.00 0.00 C ATOM 537 CG HIS A 32 9.863 -5.276 -21.315 1.00 0.00 C ATOM 538 ND1 HIS A 32 9.697 -6.190 -22.326 1.00 0.00 N ATOM 539 CD2 HIS A 32 10.876 -5.746 -20.549 1.00 0.00 C ATOM 540 CE1 HIS A 32 10.570 -7.167 -22.181 1.00 0.00 C ATOM 541 NE2 HIS A 32 11.302 -6.924 -21.109 1.00 0.00 N ATOM 0 H HIS A 32 7.519 -2.121 -20.888 1.00 0.00 H new ATOM 0 HA HIS A 32 7.107 -4.919 -21.044 1.00 0.00 H new ATOM 0 HB2 HIS A 32 8.879 -3.629 -22.215 1.00 0.00 H new ATOM 0 HB3 HIS A 32 9.637 -3.268 -20.676 1.00 0.00 H new ATOM 0 HD2 HIS A 32 11.275 -5.279 -19.661 1.00 0.00 H new ATOM 0 HE1 HIS A 32 10.670 -8.024 -22.831 1.00 0.00 H new ATOM 0 HE2 HIS A 32 12.057 -7.513 -20.757 1.00 0.00 H new ATOM 550 N GLN A 33 7.875 -3.737 -18.132 1.00 0.00 N ATOM 551 CA GLN A 33 8.023 -4.061 -16.719 1.00 0.00 C ATOM 552 C GLN A 33 6.725 -4.654 -16.183 1.00 0.00 C ATOM 553 O GLN A 33 6.734 -5.488 -15.280 1.00 0.00 O ATOM 554 CB GLN A 33 8.403 -2.803 -15.936 1.00 0.00 C ATOM 555 CG GLN A 33 8.644 -3.033 -14.454 1.00 0.00 C ATOM 556 CD GLN A 33 9.060 -1.762 -13.746 1.00 0.00 C ATOM 557 OE1 GLN A 33 9.672 -0.882 -14.348 1.00 0.00 O ATOM 558 NE2 GLN A 33 8.732 -1.652 -12.469 1.00 0.00 N ATOM 0 H GLN A 33 7.758 -2.742 -18.323 1.00 0.00 H new ATOM 0 HA GLN A 33 8.816 -4.799 -16.599 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.304 -2.375 -16.376 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.610 -2.065 -16.052 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.736 -3.424 -13.995 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.417 -3.790 -14.325 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.224 -2.406 -12.006 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.987 -0.814 -11.947 1.00 0.00 H new ATOM 567 N PHE A 34 5.608 -4.242 -16.775 1.00 0.00 N ATOM 568 CA PHE A 34 4.292 -4.715 -16.356 1.00 0.00 C ATOM 569 C PHE A 34 4.050 -6.129 -16.886 1.00 0.00 C ATOM 570 O PHE A 34 3.069 -6.788 -16.537 1.00 0.00 O ATOM 571 CB PHE A 34 3.206 -3.759 -16.862 1.00 0.00 C ATOM 572 CG PHE A 34 1.851 -3.980 -16.245 1.00 0.00 C ATOM 573 CD1 PHE A 34 1.625 -3.672 -14.913 1.00 0.00 C ATOM 574 CD2 PHE A 34 0.802 -4.485 -17.000 1.00 0.00 C ATOM 575 CE1 PHE A 34 0.381 -3.866 -14.343 1.00 0.00 C ATOM 576 CE2 PHE A 34 -0.445 -4.680 -16.434 1.00 0.00 C ATOM 577 CZ PHE A 34 -0.656 -4.370 -15.105 1.00 0.00 C ATOM 0 H PHE A 34 5.588 -3.579 -17.550 1.00 0.00 H new ATOM 0 HA PHE A 34 4.253 -4.741 -15.267 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.520 -2.734 -16.664 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.121 -3.864 -17.944 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.431 -3.276 -14.313 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.961 -4.728 -18.040 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.219 -3.624 -13.303 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.254 -5.075 -17.031 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.629 -4.521 -14.662 1.00 0.00 H new ATOM 587 N ASN A 35 4.970 -6.582 -17.726 1.00 0.00 N ATOM 588 CA ASN A 35 4.892 -7.901 -18.335 1.00 0.00 C ATOM 589 C ASN A 35 5.445 -8.957 -17.384 1.00 0.00 C ATOM 590 O ASN A 35 5.254 -10.157 -17.586 1.00 0.00 O ATOM 591 CB ASN A 35 5.678 -7.896 -19.649 1.00 0.00 C ATOM 592 CG ASN A 35 5.494 -9.155 -20.472 1.00 0.00 C ATOM 593 OD1 ASN A 35 4.430 -9.772 -20.466 1.00 0.00 O ATOM 594 ND2 ASN A 35 6.541 -9.541 -21.186 1.00 0.00 N ATOM 0 H ASN A 35 5.791 -6.045 -18.004 1.00 0.00 H new ATOM 0 HA ASN A 35 3.850 -8.145 -18.541 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.370 -7.036 -20.243 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.738 -7.768 -19.428 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.484 -10.381 -21.761 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.404 -8.998 -21.160 1.00 0.00 H new ATOM 601 N SER A 36 6.130 -8.504 -16.344 1.00 0.00 N ATOM 602 CA SER A 36 6.632 -9.399 -15.317 1.00 0.00 C ATOM 603 C SER A 36 5.493 -9.820 -14.394 1.00 0.00 C ATOM 604 O SER A 36 5.085 -9.065 -13.515 1.00 0.00 O ATOM 605 CB SER A 36 7.734 -8.715 -14.507 1.00 0.00 C ATOM 606 OG SER A 36 8.801 -8.294 -15.344 1.00 0.00 O ATOM 0 H SER A 36 6.350 -7.520 -16.191 1.00 0.00 H new ATOM 0 HA SER A 36 7.050 -10.284 -15.797 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.321 -7.855 -13.980 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.112 -9.402 -13.750 1.00 0.00 H new ATOM 0 HG SER A 36 9.332 -9.072 -15.613 1.00 0.00 H new ATOM 612 N THR A 37 4.977 -11.024 -14.592 1.00 0.00 N ATOM 613 CA THR A 37 3.848 -11.499 -13.807 1.00 0.00 C ATOM 614 C THR A 37 4.331 -12.143 -12.503 1.00 0.00 C ATOM 615 O THR A 37 3.566 -12.796 -11.788 1.00 0.00 O ATOM 616 CB THR A 37 2.969 -12.483 -14.613 1.00 0.00 C ATOM 617 OG1 THR A 37 1.815 -12.859 -13.848 1.00 0.00 O ATOM 618 CG2 THR A 37 3.751 -13.728 -15.007 1.00 0.00 C ATOM 0 H THR A 37 5.321 -11.687 -15.287 1.00 0.00 H new ATOM 0 HA THR A 37 3.230 -10.636 -13.559 1.00 0.00 H new ATOM 0 HB THR A 37 2.651 -11.975 -15.524 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.057 -12.923 -12.901 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.105 -14.400 -15.572 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.604 -13.442 -15.622 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.104 -14.235 -14.109 1.00 0.00 H new ATOM 626 N GLN A 38 5.612 -11.949 -12.212 1.00 0.00 N ATOM 627 CA GLN A 38 6.193 -12.335 -10.932 1.00 0.00 C ATOM 628 C GLN A 38 5.519 -11.550 -9.810 1.00 0.00 C ATOM 629 O GLN A 38 5.178 -10.382 -9.996 1.00 0.00 O ATOM 630 CB GLN A 38 7.699 -12.024 -10.933 1.00 0.00 C ATOM 631 CG GLN A 38 8.401 -12.295 -9.610 1.00 0.00 C ATOM 632 CD GLN A 38 8.996 -13.684 -9.526 1.00 0.00 C ATOM 633 OE1 GLN A 38 8.339 -14.634 -9.106 1.00 0.00 O ATOM 634 NE2 GLN A 38 10.258 -13.799 -9.903 1.00 0.00 N ATOM 0 H GLN A 38 6.276 -11.520 -12.856 1.00 0.00 H new ATOM 0 HA GLN A 38 6.042 -13.403 -10.776 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.179 -12.616 -11.712 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.840 -10.976 -11.197 1.00 0.00 H new ATOM 0 HG2 GLN A 38 9.192 -11.558 -9.468 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.690 -12.161 -8.795 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.764 -12.982 -10.245 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.725 -14.704 -9.851 1.00 0.00 H new ATOM 643 N PRO A 39 5.300 -12.174 -8.644 1.00 0.00 N ATOM 644 CA PRO A 39 4.837 -11.466 -7.453 1.00 0.00 C ATOM 645 C PRO A 39 5.732 -10.272 -7.149 1.00 0.00 C ATOM 646 O PRO A 39 6.959 -10.371 -7.255 1.00 0.00 O ATOM 647 CB PRO A 39 4.954 -12.517 -6.352 1.00 0.00 C ATOM 648 CG PRO A 39 4.799 -13.811 -7.064 1.00 0.00 C ATOM 649 CD PRO A 39 5.468 -13.614 -8.394 1.00 0.00 C ATOM 0 HA PRO A 39 3.829 -11.066 -7.561 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.916 -12.455 -5.843 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.183 -12.386 -5.593 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.263 -14.625 -6.507 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.747 -14.069 -7.187 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.520 -13.897 -8.362 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.000 -14.215 -9.173 1.00 0.00 H new ATOM 657 N PHE A 40 5.113 -9.149 -6.803 1.00 0.00 N ATOM 658 CA PHE A 40 5.826 -7.894 -6.552 1.00 0.00 C ATOM 659 C PHE A 40 6.578 -7.426 -7.807 1.00 0.00 C ATOM 660 O PHE A 40 7.379 -6.492 -7.742 1.00 0.00 O ATOM 661 CB PHE A 40 6.816 -8.033 -5.387 1.00 0.00 C ATOM 662 CG PHE A 40 6.221 -8.566 -4.113 1.00 0.00 C ATOM 663 CD1 PHE A 40 6.174 -9.930 -3.878 1.00 0.00 C ATOM 664 CD2 PHE A 40 5.727 -7.709 -3.145 1.00 0.00 C ATOM 665 CE1 PHE A 40 5.647 -10.430 -2.709 1.00 0.00 C ATOM 666 CE2 PHE A 40 5.200 -8.203 -1.968 1.00 0.00 C ATOM 667 CZ PHE A 40 5.160 -9.568 -1.753 1.00 0.00 C ATOM 0 H PHE A 40 4.102 -9.079 -6.688 1.00 0.00 H new ATOM 0 HA PHE A 40 5.075 -7.150 -6.286 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.628 -8.692 -5.695 1.00 0.00 H new ATOM 0 HB3 PHE A 40 7.257 -7.057 -5.185 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.557 -10.612 -4.623 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.754 -6.642 -3.312 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.616 -11.497 -2.542 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.820 -7.525 -1.218 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.747 -9.958 -0.835 1.00 0.00 H new ATOM 677 N PHE A 41 6.302 -8.080 -8.941 1.00 0.00 N ATOM 678 CA PHE A 41 6.961 -7.783 -10.215 1.00 0.00 C ATOM 679 C PHE A 41 8.480 -7.873 -10.080 1.00 0.00 C ATOM 680 O PHE A 41 9.229 -7.138 -10.729 1.00 0.00 O ATOM 681 CB PHE A 41 6.519 -6.411 -10.738 1.00 0.00 C ATOM 682 CG PHE A 41 5.123 -6.419 -11.304 1.00 0.00 C ATOM 683 CD1 PHE A 41 4.042 -6.772 -10.514 1.00 0.00 C ATOM 684 CD2 PHE A 41 4.896 -6.097 -12.631 1.00 0.00 C ATOM 685 CE1 PHE A 41 2.763 -6.798 -11.032 1.00 0.00 C ATOM 686 CE2 PHE A 41 3.617 -6.125 -13.156 1.00 0.00 C ATOM 687 CZ PHE A 41 2.550 -6.476 -12.355 1.00 0.00 C ATOM 0 H PHE A 41 5.614 -8.831 -9.000 1.00 0.00 H new ATOM 0 HA PHE A 41 6.658 -8.533 -10.946 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.572 -5.685 -9.927 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.216 -6.080 -11.508 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.202 -7.031 -9.478 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.727 -5.821 -13.263 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.930 -7.070 -10.401 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.453 -5.872 -14.193 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.551 -6.498 -12.764 1.00 0.00 H new ATOM 697 N MET A 42 8.923 -8.820 -9.257 1.00 0.00 N ATOM 698 CA MET A 42 10.342 -9.025 -8.996 1.00 0.00 C ATOM 699 C MET A 42 10.994 -9.790 -10.144 1.00 0.00 C ATOM 700 O MET A 42 11.270 -10.986 -10.037 1.00 0.00 O ATOM 701 CB MET A 42 10.532 -9.780 -7.675 1.00 0.00 C ATOM 702 CG MET A 42 9.783 -9.146 -6.517 1.00 0.00 C ATOM 703 SD MET A 42 10.039 -9.986 -4.943 1.00 0.00 S ATOM 704 CE MET A 42 9.065 -11.473 -5.160 1.00 0.00 C ATOM 0 H MET A 42 8.311 -9.463 -8.755 1.00 0.00 H new ATOM 0 HA MET A 42 10.824 -8.051 -8.916 1.00 0.00 H new ATOM 0 HB2 MET A 42 10.194 -10.809 -7.799 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.595 -9.820 -7.435 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.096 -8.106 -6.419 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.717 -9.138 -6.746 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.372 -11.579 -4.326 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.504 -11.408 -6.092 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.726 -12.339 -5.195 1.00 0.00 H new ATOM 714 N ASP A 43 11.207 -9.097 -11.251 1.00 0.00 N ATOM 715 CA ASP A 43 11.789 -9.704 -12.444 1.00 0.00 C ATOM 716 C ASP A 43 12.533 -8.663 -13.272 1.00 0.00 C ATOM 717 O ASP A 43 13.753 -8.735 -13.422 1.00 0.00 O ATOM 718 CB ASP A 43 10.697 -10.375 -13.286 1.00 0.00 C ATOM 719 CG ASP A 43 11.176 -10.770 -14.670 1.00 0.00 C ATOM 720 OD1 ASP A 43 12.056 -11.652 -14.776 1.00 0.00 O ATOM 721 OD2 ASP A 43 10.661 -10.210 -15.661 1.00 0.00 O ATOM 0 H ASP A 43 10.985 -8.107 -11.351 1.00 0.00 H new ATOM 0 HA ASP A 43 12.504 -10.464 -12.128 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.338 -11.262 -12.765 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.850 -9.696 -13.381 1.00 0.00 H new ATOM 726 N THR A 44 11.798 -7.691 -13.793 1.00 0.00 N ATOM 727 CA THR A 44 12.385 -6.638 -14.606 1.00 0.00 C ATOM 728 C THR A 44 13.184 -5.660 -13.750 1.00 0.00 C ATOM 729 O THR A 44 14.288 -5.253 -14.116 1.00 0.00 O ATOM 730 CB THR A 44 11.291 -5.885 -15.377 1.00 0.00 C ATOM 731 OG1 THR A 44 10.075 -5.907 -14.618 1.00 0.00 O ATOM 732 CG2 THR A 44 11.059 -6.505 -16.746 1.00 0.00 C ATOM 0 H THR A 44 10.789 -7.611 -13.666 1.00 0.00 H new ATOM 0 HA THR A 44 13.066 -7.106 -15.317 1.00 0.00 H new ATOM 0 HB THR A 44 11.616 -4.855 -15.525 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.566 -6.715 -14.838 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.279 -5.951 -17.269 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.982 -6.466 -17.324 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.749 -7.543 -16.627 1.00 0.00 H new ATOM 740 N MET A 45 12.620 -5.287 -12.612 1.00 0.00 N ATOM 741 CA MET A 45 13.301 -4.405 -11.675 1.00 0.00 C ATOM 742 C MET A 45 13.266 -4.986 -10.270 1.00 0.00 C ATOM 743 O MET A 45 12.804 -6.112 -10.061 1.00 0.00 O ATOM 744 CB MET A 45 12.676 -3.007 -11.684 1.00 0.00 C ATOM 745 CG MET A 45 12.989 -2.208 -12.938 1.00 0.00 C ATOM 746 SD MET A 45 12.396 -0.508 -12.849 1.00 0.00 S ATOM 747 CE MET A 45 13.290 0.097 -11.418 1.00 0.00 C ATOM 0 H MET A 45 11.690 -5.582 -12.314 1.00 0.00 H new ATOM 0 HA MET A 45 14.340 -4.318 -11.992 1.00 0.00 H new ATOM 0 HB2 MET A 45 11.595 -3.101 -11.584 1.00 0.00 H new ATOM 0 HB3 MET A 45 13.030 -2.454 -10.814 1.00 0.00 H new ATOM 0 HG2 MET A 45 14.067 -2.204 -13.101 1.00 0.00 H new ATOM 0 HG3 MET A 45 12.538 -2.701 -13.799 1.00 0.00 H new ATOM 0 HE1 MET A 45 13.393 1.180 -11.485 1.00 0.00 H new ATOM 0 HE2 MET A 45 12.742 -0.160 -10.511 1.00 0.00 H new ATOM 0 HE3 MET A 45 14.279 -0.361 -11.387 1.00 0.00 H new ATOM 757 N GLU A 46 13.763 -4.214 -9.317 1.00 0.00 N ATOM 758 CA GLU A 46 13.832 -4.645 -7.930 1.00 0.00 C ATOM 759 C GLU A 46 12.494 -4.414 -7.229 1.00 0.00 C ATOM 760 O GLU A 46 11.701 -3.572 -7.655 1.00 0.00 O ATOM 761 CB GLU A 46 14.955 -3.893 -7.210 1.00 0.00 C ATOM 762 CG GLU A 46 16.329 -4.149 -7.810 1.00 0.00 C ATOM 763 CD GLU A 46 17.429 -3.385 -7.104 1.00 0.00 C ATOM 764 OE1 GLU A 46 17.677 -2.217 -7.472 1.00 0.00 O ATOM 765 OE2 GLU A 46 18.053 -3.952 -6.182 1.00 0.00 O ATOM 0 H GLU A 46 14.128 -3.276 -9.482 1.00 0.00 H new ATOM 0 HA GLU A 46 14.048 -5.713 -7.902 1.00 0.00 H new ATOM 0 HB2 GLU A 46 14.746 -2.824 -7.241 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.964 -4.185 -6.160 1.00 0.00 H new ATOM 0 HG2 GLU A 46 16.547 -5.216 -7.765 1.00 0.00 H new ATOM 0 HG3 GLU A 46 16.318 -3.870 -8.864 1.00 0.00 H new ATOM 772 N PRO A 47 12.219 -5.167 -6.151 1.00 0.00 N ATOM 773 CA PRO A 47 10.958 -5.068 -5.413 1.00 0.00 C ATOM 774 C PRO A 47 10.836 -3.758 -4.641 1.00 0.00 C ATOM 775 O PRO A 47 11.309 -3.645 -3.509 1.00 0.00 O ATOM 776 CB PRO A 47 10.994 -6.254 -4.438 1.00 0.00 C ATOM 777 CG PRO A 47 12.160 -7.091 -4.855 1.00 0.00 C ATOM 778 CD PRO A 47 13.112 -6.172 -5.560 1.00 0.00 C ATOM 0 HA PRO A 47 10.104 -5.088 -6.089 1.00 0.00 H new ATOM 0 HB2 PRO A 47 11.107 -5.911 -3.410 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.067 -6.825 -4.483 1.00 0.00 H new ATOM 0 HG2 PRO A 47 12.635 -7.553 -3.990 1.00 0.00 H new ATOM 0 HG3 PRO A 47 11.842 -7.899 -5.513 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.826 -5.722 -4.870 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.691 -6.696 -6.321 1.00 0.00 H new ATOM 786 N LEU A 48 10.217 -2.764 -5.266 1.00 0.00 N ATOM 787 CA LEU A 48 10.037 -1.464 -4.635 1.00 0.00 C ATOM 788 C LEU A 48 8.838 -0.726 -5.226 1.00 0.00 C ATOM 789 O LEU A 48 7.856 -0.463 -4.534 1.00 0.00 O ATOM 790 CB LEU A 48 11.303 -0.614 -4.794 1.00 0.00 C ATOM 791 CG LEU A 48 11.262 0.748 -4.096 1.00 0.00 C ATOM 792 CD1 LEU A 48 11.132 0.573 -2.590 1.00 0.00 C ATOM 793 CD2 LEU A 48 12.505 1.556 -4.434 1.00 0.00 C ATOM 0 H LEU A 48 9.832 -2.834 -6.208 1.00 0.00 H new ATOM 0 HA LEU A 48 9.849 -1.630 -3.574 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.152 -1.178 -4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.484 -0.455 -5.857 1.00 0.00 H new ATOM 0 HG LEU A 48 10.389 1.293 -4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.104 1.552 -2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 48 10.213 0.033 -2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.986 0.009 -2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.460 2.521 -3.930 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.392 1.015 -4.103 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.556 1.712 -5.512 1.00 0.00 H new ATOM 805 N GLU A 49 8.910 -0.419 -6.518 1.00 0.00 N ATOM 806 CA GLU A 49 7.898 0.414 -7.169 1.00 0.00 C ATOM 807 C GLU A 49 6.577 -0.331 -7.364 1.00 0.00 C ATOM 808 O GLU A 49 5.587 0.252 -7.809 1.00 0.00 O ATOM 809 CB GLU A 49 8.422 0.936 -8.508 1.00 0.00 C ATOM 810 CG GLU A 49 9.737 1.689 -8.381 1.00 0.00 C ATOM 811 CD GLU A 49 10.075 2.499 -9.615 1.00 0.00 C ATOM 812 OE1 GLU A 49 10.600 1.923 -10.587 1.00 0.00 O ATOM 813 OE2 GLU A 49 9.817 3.723 -9.607 1.00 0.00 O ATOM 0 H GLU A 49 9.658 -0.733 -7.137 1.00 0.00 H new ATOM 0 HA GLU A 49 7.697 1.259 -6.510 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.555 0.097 -9.191 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.675 1.594 -8.952 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.687 2.354 -7.519 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.540 0.977 -8.189 1.00 0.00 H new ATOM 820 N TRP A 50 6.560 -1.613 -7.012 1.00 0.00 N ATOM 821 CA TRP A 50 5.340 -2.414 -7.059 1.00 0.00 C ATOM 822 C TRP A 50 4.274 -1.797 -6.163 1.00 0.00 C ATOM 823 O TRP A 50 3.096 -1.747 -6.520 1.00 0.00 O ATOM 824 CB TRP A 50 5.637 -3.846 -6.600 1.00 0.00 C ATOM 825 CG TRP A 50 4.425 -4.729 -6.537 1.00 0.00 C ATOM 826 CD1 TRP A 50 3.842 -5.387 -7.577 1.00 0.00 C ATOM 827 CD2 TRP A 50 3.656 -5.061 -5.373 1.00 0.00 C ATOM 828 NE1 TRP A 50 2.761 -6.108 -7.136 1.00 0.00 N ATOM 829 CE2 TRP A 50 2.624 -5.924 -5.789 1.00 0.00 C ATOM 830 CE3 TRP A 50 3.740 -4.716 -4.022 1.00 0.00 C ATOM 831 CZ2 TRP A 50 1.684 -6.443 -4.904 1.00 0.00 C ATOM 832 CZ3 TRP A 50 2.805 -5.231 -3.145 1.00 0.00 C ATOM 833 CH2 TRP A 50 1.791 -6.087 -3.588 1.00 0.00 C ATOM 0 H TRP A 50 7.383 -2.122 -6.689 1.00 0.00 H new ATOM 0 HA TRP A 50 4.973 -2.436 -8.085 1.00 0.00 H new ATOM 0 HB2 TRP A 50 6.364 -4.291 -7.279 1.00 0.00 H new ATOM 0 HB3 TRP A 50 6.101 -3.812 -5.614 1.00 0.00 H new ATOM 0 HD1 TRP A 50 4.182 -5.347 -8.601 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.157 -6.688 -7.719 1.00 0.00 H new ATOM 0 HE3 TRP A 50 4.521 -4.059 -3.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.899 -7.102 -5.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 2.858 -4.968 -2.099 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.078 -6.475 -2.876 1.00 0.00 H new ATOM 844 N LEU A 51 4.721 -1.308 -5.015 1.00 0.00 N ATOM 845 CA LEU A 51 3.844 -0.738 -4.005 1.00 0.00 C ATOM 846 C LEU A 51 2.993 0.400 -4.573 1.00 0.00 C ATOM 847 O LEU A 51 1.805 0.507 -4.275 1.00 0.00 O ATOM 848 CB LEU A 51 4.697 -0.230 -2.838 1.00 0.00 C ATOM 849 CG LEU A 51 3.928 0.302 -1.631 1.00 0.00 C ATOM 850 CD1 LEU A 51 3.135 -0.810 -0.966 1.00 0.00 C ATOM 851 CD2 LEU A 51 4.886 0.942 -0.636 1.00 0.00 C ATOM 0 H LEU A 51 5.708 -1.296 -4.758 1.00 0.00 H new ATOM 0 HA LEU A 51 3.159 -1.513 -3.660 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.342 -1.043 -2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.348 0.562 -3.207 1.00 0.00 H new ATOM 0 HG LEU A 51 3.226 1.061 -1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.595 -0.409 -0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.425 -1.227 -1.680 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.816 -1.593 -0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.325 1.317 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.609 0.200 -0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.411 1.768 -1.116 1.00 0.00 H new ATOM 863 N GLN A 52 3.597 1.228 -5.414 1.00 0.00 N ATOM 864 CA GLN A 52 2.923 2.418 -5.915 1.00 0.00 C ATOM 865 C GLN A 52 2.354 2.219 -7.321 1.00 0.00 C ATOM 866 O GLN A 52 1.266 2.701 -7.626 1.00 0.00 O ATOM 867 CB GLN A 52 3.881 3.611 -5.902 1.00 0.00 C ATOM 868 CG GLN A 52 5.148 3.397 -6.716 1.00 0.00 C ATOM 869 CD GLN A 52 6.047 4.614 -6.719 1.00 0.00 C ATOM 870 OE1 GLN A 52 6.918 4.760 -5.865 1.00 0.00 O ATOM 871 NE2 GLN A 52 5.847 5.494 -7.685 1.00 0.00 N ATOM 0 H GLN A 52 4.547 1.099 -5.762 1.00 0.00 H new ATOM 0 HA GLN A 52 2.082 2.614 -5.250 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.359 4.487 -6.286 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.157 3.831 -4.871 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.696 2.546 -6.312 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.879 3.146 -7.742 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.113 5.336 -8.375 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.427 6.331 -7.740 1.00 0.00 H new ATOM 880 N TRP A 53 3.084 1.510 -8.170 1.00 0.00 N ATOM 881 CA TRP A 53 2.710 1.392 -9.575 1.00 0.00 C ATOM 882 C TRP A 53 1.693 0.274 -9.796 1.00 0.00 C ATOM 883 O TRP A 53 0.868 0.346 -10.707 1.00 0.00 O ATOM 884 CB TRP A 53 3.960 1.154 -10.426 1.00 0.00 C ATOM 885 CG TRP A 53 3.697 1.141 -11.903 1.00 0.00 C ATOM 886 CD1 TRP A 53 2.978 2.057 -12.619 1.00 0.00 C ATOM 887 CD2 TRP A 53 4.170 0.174 -12.847 1.00 0.00 C ATOM 888 NE1 TRP A 53 2.966 1.710 -13.949 1.00 0.00 N ATOM 889 CE2 TRP A 53 3.694 0.560 -14.115 1.00 0.00 C ATOM 890 CE3 TRP A 53 4.949 -0.983 -12.743 1.00 0.00 C ATOM 891 CZ2 TRP A 53 3.975 -0.166 -15.268 1.00 0.00 C ATOM 892 CZ3 TRP A 53 5.228 -1.702 -13.890 1.00 0.00 C ATOM 893 CH2 TRP A 53 4.742 -1.290 -15.136 1.00 0.00 C ATOM 0 H TRP A 53 3.935 1.009 -7.914 1.00 0.00 H new ATOM 0 HA TRP A 53 2.238 2.326 -9.879 1.00 0.00 H new ATOM 0 HB2 TRP A 53 4.692 1.931 -10.204 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.408 0.203 -10.138 1.00 0.00 H new ATOM 0 HD1 TRP A 53 2.491 2.926 -12.201 1.00 0.00 H new ATOM 0 HE1 TRP A 53 2.493 2.224 -14.692 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.325 -1.308 -11.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 3.601 0.147 -16.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.831 -2.596 -13.824 1.00 0.00 H new ATOM 0 HH2 TRP A 53 4.978 -1.873 -16.014 1.00 0.00 H new ATOM 904 N VAL A 54 1.744 -0.752 -8.961 1.00 0.00 N ATOM 905 CA VAL A 54 0.845 -1.886 -9.116 1.00 0.00 C ATOM 906 C VAL A 54 -0.182 -1.938 -7.998 1.00 0.00 C ATOM 907 O VAL A 54 -1.382 -1.895 -8.254 1.00 0.00 O ATOM 908 CB VAL A 54 1.608 -3.224 -9.159 1.00 0.00 C ATOM 909 CG1 VAL A 54 0.643 -4.392 -9.311 1.00 0.00 C ATOM 910 CG2 VAL A 54 2.620 -3.224 -10.288 1.00 0.00 C ATOM 0 H VAL A 54 2.391 -0.824 -8.176 1.00 0.00 H new ATOM 0 HA VAL A 54 0.334 -1.742 -10.068 1.00 0.00 H new ATOM 0 HB VAL A 54 2.141 -3.341 -8.216 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.204 -5.326 -9.339 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.046 -4.407 -8.466 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.079 -4.280 -10.237 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.149 -4.177 -10.302 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.105 -3.080 -11.238 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.334 -2.415 -10.136 1.00 0.00 H new ATOM 920 N LEU A 55 0.297 -2.010 -6.761 1.00 0.00 N ATOM 921 CA LEU A 55 -0.572 -2.240 -5.614 1.00 0.00 C ATOM 922 C LEU A 55 -1.643 -1.160 -5.479 1.00 0.00 C ATOM 923 O LEU A 55 -2.832 -1.473 -5.448 1.00 0.00 O ATOM 924 CB LEU A 55 0.247 -2.333 -4.327 1.00 0.00 C ATOM 925 CG LEU A 55 -0.545 -2.780 -3.097 1.00 0.00 C ATOM 926 CD1 LEU A 55 -1.150 -4.155 -3.327 1.00 0.00 C ATOM 927 CD2 LEU A 55 0.343 -2.787 -1.865 1.00 0.00 C ATOM 0 H LEU A 55 1.285 -1.912 -6.527 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.080 -3.189 -5.783 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.070 -3.030 -4.486 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.690 -1.358 -4.123 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.355 -2.070 -2.931 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.710 -4.459 -2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.820 -4.119 -4.186 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.354 -4.875 -3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.237 -3.108 -1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.174 -3.475 -2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.731 -1.783 -1.690 1.00 0.00 H new ATOM 939 N ILE A 56 -1.228 0.102 -5.414 1.00 0.00 N ATOM 940 CA ILE A 56 -2.173 1.206 -5.232 1.00 0.00 C ATOM 941 C ILE A 56 -3.292 1.197 -6.295 1.00 0.00 C ATOM 942 O ILE A 56 -4.469 1.119 -5.932 1.00 0.00 O ATOM 943 CB ILE A 56 -1.464 2.584 -5.186 1.00 0.00 C ATOM 944 CG1 ILE A 56 -0.583 2.676 -3.935 1.00 0.00 C ATOM 945 CG2 ILE A 56 -2.479 3.721 -5.211 1.00 0.00 C ATOM 946 CD1 ILE A 56 0.174 3.982 -3.821 1.00 0.00 C ATOM 0 H ILE A 56 -0.251 0.387 -5.484 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.641 1.046 -4.261 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.834 2.679 -6.070 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.208 2.550 -3.051 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.130 1.852 -3.942 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.956 4.677 -5.178 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.069 3.662 -6.126 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.139 3.639 -4.347 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.776 3.976 -2.912 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.825 4.102 -4.687 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.533 4.810 -3.782 1.00 0.00 H new ATOM 958 N PRO A 57 -2.974 1.242 -7.611 1.00 0.00 N ATOM 959 CA PRO A 57 -4.006 1.226 -8.657 1.00 0.00 C ATOM 960 C PRO A 57 -4.835 -0.058 -8.639 1.00 0.00 C ATOM 961 O PRO A 57 -6.045 -0.037 -8.883 1.00 0.00 O ATOM 962 CB PRO A 57 -3.214 1.322 -9.966 1.00 0.00 C ATOM 963 CG PRO A 57 -1.879 1.847 -9.573 1.00 0.00 C ATOM 964 CD PRO A 57 -1.621 1.318 -8.194 1.00 0.00 C ATOM 0 HA PRO A 57 -4.721 2.037 -8.519 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.128 0.348 -10.447 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.706 1.987 -10.676 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.108 1.516 -10.269 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.870 2.937 -9.582 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.137 0.342 -8.220 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.971 1.981 -7.622 1.00 0.00 H new ATOM 972 N ARG A 58 -4.181 -1.176 -8.341 1.00 0.00 N ATOM 973 CA ARG A 58 -4.849 -2.473 -8.317 1.00 0.00 C ATOM 974 C ARG A 58 -5.863 -2.543 -7.180 1.00 0.00 C ATOM 975 O ARG A 58 -6.988 -3.014 -7.367 1.00 0.00 O ATOM 976 CB ARG A 58 -3.822 -3.599 -8.177 1.00 0.00 C ATOM 977 CG ARG A 58 -4.436 -4.974 -7.997 1.00 0.00 C ATOM 978 CD ARG A 58 -3.375 -6.055 -7.905 1.00 0.00 C ATOM 979 NE ARG A 58 -3.957 -7.343 -7.527 1.00 0.00 N ATOM 980 CZ ARG A 58 -3.568 -8.520 -8.017 1.00 0.00 C ATOM 981 NH1 ARG A 58 -2.609 -8.589 -8.929 1.00 0.00 N ATOM 982 NH2 ARG A 58 -4.158 -9.632 -7.599 1.00 0.00 N ATOM 0 H ARG A 58 -3.188 -1.210 -8.112 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.382 -2.596 -9.260 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.186 -3.609 -9.062 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.178 -3.385 -7.324 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.046 -4.985 -7.094 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.102 -5.188 -8.833 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.867 -6.151 -8.865 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.621 -5.766 -7.173 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.712 -7.340 -6.841 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.160 -7.736 -9.263 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.319 -9.495 -9.297 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.905 -9.584 -6.906 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.865 -10.536 -7.970 1.00 0.00 H new ATOM 996 N MET A 59 -5.471 -2.063 -6.007 1.00 0.00 N ATOM 997 CA MET A 59 -6.347 -2.107 -4.843 1.00 0.00 C ATOM 998 C MET A 59 -7.470 -1.089 -4.972 1.00 0.00 C ATOM 999 O MET A 59 -8.556 -1.299 -4.447 1.00 0.00 O ATOM 1000 CB MET A 59 -5.567 -1.872 -3.548 1.00 0.00 C ATOM 1001 CG MET A 59 -4.493 -2.915 -3.286 1.00 0.00 C ATOM 1002 SD MET A 59 -5.117 -4.604 -3.401 1.00 0.00 S ATOM 1003 CE MET A 59 -6.374 -4.589 -2.127 1.00 0.00 C ATOM 0 H MET A 59 -4.558 -1.641 -5.836 1.00 0.00 H new ATOM 0 HA MET A 59 -6.783 -3.105 -4.800 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.103 -0.887 -3.587 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.264 -1.863 -2.710 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.682 -2.783 -4.002 1.00 0.00 H new ATOM 0 HG3 MET A 59 -4.072 -2.755 -2.294 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.437 -5.575 -1.666 1.00 0.00 H new ATOM 0 HE2 MET A 59 -6.115 -3.850 -1.369 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.337 -4.333 -2.569 1.00 0.00 H new ATOM 1013 N HIS A 60 -7.209 0.015 -5.672 1.00 0.00 N ATOM 1014 CA HIS A 60 -8.260 0.989 -5.968 1.00 0.00 C ATOM 1015 C HIS A 60 -9.392 0.313 -6.732 1.00 0.00 C ATOM 1016 O HIS A 60 -10.565 0.500 -6.418 1.00 0.00 O ATOM 1017 CB HIS A 60 -7.716 2.169 -6.780 1.00 0.00 C ATOM 1018 CG HIS A 60 -7.257 3.327 -5.946 1.00 0.00 C ATOM 1019 ND1 HIS A 60 -8.097 4.341 -5.547 1.00 0.00 N ATOM 1020 CD2 HIS A 60 -6.038 3.638 -5.447 1.00 0.00 C ATOM 1021 CE1 HIS A 60 -7.418 5.225 -4.842 1.00 0.00 C ATOM 1022 NE2 HIS A 60 -6.164 4.824 -4.764 1.00 0.00 N ATOM 0 H HIS A 60 -6.289 0.256 -6.041 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.637 1.376 -5.022 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -6.882 1.822 -7.391 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.491 2.513 -7.465 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.133 3.061 -5.564 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -7.821 6.126 -4.403 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -5.412 5.313 -4.278 1.00 0.00 H new ATOM 1031 N ASP A 61 -9.014 -0.492 -7.720 1.00 0.00 N ATOM 1032 CA ASP A 61 -9.964 -1.290 -8.494 1.00 0.00 C ATOM 1033 C ASP A 61 -10.713 -2.266 -7.585 1.00 0.00 C ATOM 1034 O ASP A 61 -11.936 -2.357 -7.630 1.00 0.00 O ATOM 1035 CB ASP A 61 -9.212 -2.054 -9.594 1.00 0.00 C ATOM 1036 CG ASP A 61 -10.094 -3.012 -10.376 1.00 0.00 C ATOM 1037 OD1 ASP A 61 -10.665 -2.593 -11.404 1.00 0.00 O ATOM 1038 OD2 ASP A 61 -10.183 -4.195 -9.987 1.00 0.00 O ATOM 0 H ASP A 61 -8.043 -0.611 -8.008 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.696 -0.625 -8.953 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.766 -1.337 -10.284 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.393 -2.613 -9.142 1.00 0.00 H new ATOM 1043 N LEU A 62 -9.965 -2.962 -6.736 1.00 0.00 N ATOM 1044 CA LEU A 62 -10.530 -3.961 -5.833 1.00 0.00 C ATOM 1045 C LEU A 62 -11.513 -3.321 -4.848 1.00 0.00 C ATOM 1046 O LEU A 62 -12.604 -3.846 -4.606 1.00 0.00 O ATOM 1047 CB LEU A 62 -9.386 -4.667 -5.086 1.00 0.00 C ATOM 1048 CG LEU A 62 -9.767 -5.912 -4.277 1.00 0.00 C ATOM 1049 CD1 LEU A 62 -8.565 -6.832 -4.135 1.00 0.00 C ATOM 1050 CD2 LEU A 62 -10.286 -5.535 -2.897 1.00 0.00 C ATOM 0 H LEU A 62 -8.954 -2.851 -6.653 1.00 0.00 H new ATOM 0 HA LEU A 62 -11.088 -4.694 -6.415 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.627 -4.952 -5.814 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.925 -3.948 -4.409 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.561 -6.430 -4.815 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.847 -7.713 -3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.223 -7.139 -5.123 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.762 -6.304 -3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.548 -6.439 -2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.513 -4.991 -2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.169 -4.904 -3.000 1.00 0.00 H new ATOM 1062 N LEU A 63 -11.125 -2.181 -4.295 1.00 0.00 N ATOM 1063 CA LEU A 63 -11.938 -1.487 -3.303 1.00 0.00 C ATOM 1064 C LEU A 63 -13.178 -0.866 -3.932 1.00 0.00 C ATOM 1065 O LEU A 63 -14.261 -0.900 -3.345 1.00 0.00 O ATOM 1066 CB LEU A 63 -11.113 -0.404 -2.609 1.00 0.00 C ATOM 1067 CG LEU A 63 -9.917 -0.920 -1.811 1.00 0.00 C ATOM 1068 CD1 LEU A 63 -9.044 0.236 -1.362 1.00 0.00 C ATOM 1069 CD2 LEU A 63 -10.386 -1.731 -0.615 1.00 0.00 C ATOM 0 H LEU A 63 -10.246 -1.713 -4.518 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.263 -2.223 -2.568 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.754 0.297 -3.362 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.765 0.155 -1.938 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.325 -1.570 -2.455 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.196 -0.147 -0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.681 0.778 -2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.627 0.909 -0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.521 -2.091 -0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.999 -1.104 0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.975 -2.581 -0.960 1.00 0.00 H new ATOM 1081 N ASP A 64 -13.023 -0.307 -5.126 1.00 0.00 N ATOM 1082 CA ASP A 64 -14.136 0.343 -5.810 1.00 0.00 C ATOM 1083 C ASP A 64 -15.098 -0.701 -6.363 1.00 0.00 C ATOM 1084 O ASP A 64 -16.295 -0.448 -6.510 1.00 0.00 O ATOM 1085 CB ASP A 64 -13.624 1.238 -6.940 1.00 0.00 C ATOM 1086 CG ASP A 64 -14.681 2.204 -7.439 1.00 0.00 C ATOM 1087 OD1 ASP A 64 -14.788 3.315 -6.876 1.00 0.00 O ATOM 1088 OD2 ASP A 64 -15.402 1.869 -8.400 1.00 0.00 O ATOM 0 H ASP A 64 -12.142 -0.290 -5.640 1.00 0.00 H new ATOM 0 HA ASP A 64 -14.667 0.965 -5.089 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.758 1.800 -6.590 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.286 0.615 -7.768 1.00 0.00 H new ATOM 1093 N ASN A 65 -14.565 -1.884 -6.653 1.00 0.00 N ATOM 1094 CA ASN A 65 -15.376 -3.000 -7.127 1.00 0.00 C ATOM 1095 C ASN A 65 -16.080 -3.665 -5.948 1.00 0.00 C ATOM 1096 O ASN A 65 -16.972 -4.496 -6.131 1.00 0.00 O ATOM 1097 CB ASN A 65 -14.501 -4.019 -7.861 1.00 0.00 C ATOM 1098 CG ASN A 65 -15.268 -4.813 -8.901 1.00 0.00 C ATOM 1099 OD1 ASN A 65 -15.843 -5.864 -8.610 1.00 0.00 O ATOM 1100 ND2 ASN A 65 -15.271 -4.319 -10.128 1.00 0.00 N ATOM 0 H ASN A 65 -13.571 -2.095 -6.567 1.00 0.00 H new ATOM 0 HA ASN A 65 -16.125 -2.621 -7.822 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -13.674 -3.499 -8.345 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.065 -4.706 -7.135 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -15.762 -4.811 -10.875 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -14.783 -3.446 -10.327 1.00 0.00 H new ATOM 1107 N LYS A 66 -15.656 -3.285 -4.737 1.00 0.00 N ATOM 1108 CA LYS A 66 -16.273 -3.744 -3.490 1.00 0.00 C ATOM 1109 C LYS A 66 -16.026 -5.236 -3.263 1.00 0.00 C ATOM 1110 O LYS A 66 -16.816 -5.917 -2.611 1.00 0.00 O ATOM 1111 CB LYS A 66 -17.775 -3.427 -3.488 1.00 0.00 C ATOM 1112 CG LYS A 66 -18.075 -1.950 -3.690 1.00 0.00 C ATOM 1113 CD LYS A 66 -19.567 -1.677 -3.742 1.00 0.00 C ATOM 1114 CE LYS A 66 -19.855 -0.204 -3.990 1.00 0.00 C ATOM 1115 NZ LYS A 66 -19.414 0.655 -2.856 1.00 0.00 N ATOM 0 H LYS A 66 -14.872 -2.648 -4.595 1.00 0.00 H new ATOM 0 HA LYS A 66 -15.807 -3.207 -2.664 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -18.262 -4.001 -4.276 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -18.207 -3.753 -2.542 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -17.629 -1.375 -2.879 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -17.611 -1.609 -4.615 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -20.020 -2.276 -4.532 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -20.028 -1.986 -2.804 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.350 0.114 -4.902 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -20.924 -0.067 -4.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -19.764 1.624 -2.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.794 0.276 -1.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -18.375 0.665 -2.812 1.00 0.00 H new ATOM 1129 N GLN A 67 -14.899 -5.721 -3.769 1.00 0.00 N ATOM 1130 CA GLN A 67 -14.535 -7.127 -3.627 1.00 0.00 C ATOM 1131 C GLN A 67 -14.013 -7.413 -2.223 1.00 0.00 C ATOM 1132 O GLN A 67 -13.513 -6.514 -1.544 1.00 0.00 O ATOM 1133 CB GLN A 67 -13.471 -7.508 -4.656 1.00 0.00 C ATOM 1134 CG GLN A 67 -13.931 -7.358 -6.095 1.00 0.00 C ATOM 1135 CD GLN A 67 -12.862 -7.751 -7.094 1.00 0.00 C ATOM 1136 OE1 GLN A 67 -12.809 -7.223 -8.202 1.00 0.00 O ATOM 1137 NE2 GLN A 67 -12.002 -8.680 -6.710 1.00 0.00 N ATOM 0 H GLN A 67 -14.219 -5.161 -4.283 1.00 0.00 H new ATOM 0 HA GLN A 67 -15.430 -7.725 -3.797 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -12.589 -6.888 -4.500 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -13.168 -8.541 -4.487 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -14.816 -7.973 -6.255 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -14.226 -6.324 -6.272 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -12.080 -9.094 -5.781 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -11.261 -8.982 -7.343 1.00 0.00 H new ATOM 1146 N PRO A 68 -14.130 -8.668 -1.760 1.00 0.00 N ATOM 1147 CA PRO A 68 -13.596 -9.081 -0.460 1.00 0.00 C ATOM 1148 C PRO A 68 -12.078 -8.942 -0.404 1.00 0.00 C ATOM 1149 O PRO A 68 -11.373 -9.332 -1.336 1.00 0.00 O ATOM 1150 CB PRO A 68 -14.003 -10.555 -0.340 1.00 0.00 C ATOM 1151 CG PRO A 68 -15.085 -10.749 -1.348 1.00 0.00 C ATOM 1152 CD PRO A 68 -14.791 -9.782 -2.459 1.00 0.00 C ATOM 0 HA PRO A 68 -13.980 -8.463 0.352 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.158 -11.214 -0.539 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.356 -10.785 0.665 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -15.097 -11.775 -1.716 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -16.065 -10.556 -0.911 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.145 -10.223 -3.218 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -15.701 -9.459 -2.964 1.00 0.00 H new ATOM 1160 N LEU A 69 -11.581 -8.380 0.689 1.00 0.00 N ATOM 1161 CA LEU A 69 -10.150 -8.152 0.853 1.00 0.00 C ATOM 1162 C LEU A 69 -9.413 -9.462 1.110 1.00 0.00 C ATOM 1163 O LEU A 69 -9.968 -10.386 1.707 1.00 0.00 O ATOM 1164 CB LEU A 69 -9.892 -7.190 2.017 1.00 0.00 C ATOM 1165 CG LEU A 69 -10.438 -5.774 1.837 1.00 0.00 C ATOM 1166 CD1 LEU A 69 -10.196 -4.954 3.095 1.00 0.00 C ATOM 1167 CD2 LEU A 69 -9.798 -5.101 0.633 1.00 0.00 C ATOM 0 H LEU A 69 -12.149 -8.072 1.478 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.776 -7.713 -0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.328 -7.616 2.920 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.816 -7.127 2.181 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.512 -5.837 1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.589 -3.947 2.954 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.699 -5.426 3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.126 -4.901 3.294 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.200 -4.094 0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.719 -5.047 0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.015 -5.679 -0.265 1.00 0.00 H new ATOM 1179 N PRO A 70 -8.166 -9.570 0.634 1.00 0.00 N ATOM 1180 CA PRO A 70 -7.298 -10.696 0.970 1.00 0.00 C ATOM 1181 C PRO A 70 -6.872 -10.649 2.435 1.00 0.00 C ATOM 1182 O PRO A 70 -6.108 -9.776 2.842 1.00 0.00 O ATOM 1183 CB PRO A 70 -6.089 -10.514 0.047 1.00 0.00 C ATOM 1184 CG PRO A 70 -6.080 -9.064 -0.296 1.00 0.00 C ATOM 1185 CD PRO A 70 -7.515 -8.618 -0.286 1.00 0.00 C ATOM 0 HA PRO A 70 -7.793 -11.658 0.837 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -5.165 -10.807 0.545 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.179 -11.131 -0.847 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.492 -8.498 0.426 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.629 -8.899 -1.274 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.613 -7.591 0.064 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.955 -8.659 -1.283 1.00 0.00 H new ATOM 1193 N GLY A 71 -7.384 -11.584 3.225 1.00 0.00 N ATOM 1194 CA GLY A 71 -7.091 -11.605 4.646 1.00 0.00 C ATOM 1195 C GLY A 71 -5.642 -11.932 4.938 1.00 0.00 C ATOM 1196 O GLY A 71 -5.108 -11.555 5.981 1.00 0.00 O ATOM 0 H GLY A 71 -8.000 -12.332 2.906 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.334 -10.634 5.078 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.731 -12.340 5.134 1.00 0.00 H new ATOM 1200 N ALA A 72 -5.002 -12.640 4.021 1.00 0.00 N ATOM 1201 CA ALA A 72 -3.603 -12.999 4.182 1.00 0.00 C ATOM 1202 C ALA A 72 -2.719 -12.097 3.333 1.00 0.00 C ATOM 1203 O ALA A 72 -1.887 -12.568 2.558 1.00 0.00 O ATOM 1204 CB ALA A 72 -3.383 -14.461 3.824 1.00 0.00 C ATOM 0 H ALA A 72 -5.429 -12.977 3.158 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.329 -12.859 5.228 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.330 -14.712 3.950 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.987 -15.090 4.477 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.674 -14.630 2.787 1.00 0.00 H new ATOM 1210 N PHE A 73 -2.913 -10.800 3.481 1.00 0.00 N ATOM 1211 CA PHE A 73 -2.115 -9.824 2.767 1.00 0.00 C ATOM 1212 C PHE A 73 -1.139 -9.160 3.727 1.00 0.00 C ATOM 1213 O PHE A 73 -1.547 -8.584 4.737 1.00 0.00 O ATOM 1214 CB PHE A 73 -3.027 -8.778 2.122 1.00 0.00 C ATOM 1215 CG PHE A 73 -2.320 -7.831 1.195 1.00 0.00 C ATOM 1216 CD1 PHE A 73 -1.692 -6.694 1.681 1.00 0.00 C ATOM 1217 CD2 PHE A 73 -2.295 -8.075 -0.167 1.00 0.00 C ATOM 1218 CE1 PHE A 73 -1.056 -5.820 0.825 1.00 0.00 C ATOM 1219 CE2 PHE A 73 -1.659 -7.205 -1.027 1.00 0.00 C ATOM 1220 CZ PHE A 73 -1.039 -6.076 -0.530 1.00 0.00 C ATOM 0 H PHE A 73 -3.622 -10.397 4.094 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.549 -10.324 1.981 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.814 -9.290 1.569 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -3.514 -8.202 2.909 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.701 -6.491 2.742 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.779 -8.957 -0.561 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.572 -4.937 1.215 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.646 -7.406 -2.088 1.00 0.00 H new ATOM 0 HZ PHE A 73 -0.541 -5.393 -1.202 1.00 0.00 H new ATOM 1230 N ALA A 74 0.144 -9.263 3.420 1.00 0.00 N ATOM 1231 CA ALA A 74 1.180 -8.655 4.240 1.00 0.00 C ATOM 1232 C ALA A 74 2.399 -8.320 3.392 1.00 0.00 C ATOM 1233 O ALA A 74 3.038 -9.209 2.827 1.00 0.00 O ATOM 1234 CB ALA A 74 1.569 -9.580 5.386 1.00 0.00 C ATOM 0 H ALA A 74 0.495 -9.765 2.604 1.00 0.00 H new ATOM 0 HA ALA A 74 0.785 -7.731 4.663 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.345 -9.107 5.988 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.696 -9.775 6.008 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.945 -10.520 4.983 1.00 0.00 H new ATOM 1240 N VAL A 75 2.704 -7.037 3.282 1.00 0.00 N ATOM 1241 CA VAL A 75 3.851 -6.598 2.499 1.00 0.00 C ATOM 1242 C VAL A 75 4.924 -5.971 3.384 1.00 0.00 C ATOM 1243 O VAL A 75 6.094 -5.899 2.993 1.00 0.00 O ATOM 1244 CB VAL A 75 3.449 -5.599 1.392 1.00 0.00 C ATOM 1245 CG1 VAL A 75 2.541 -6.270 0.372 1.00 0.00 C ATOM 1246 CG2 VAL A 75 2.774 -4.369 1.984 1.00 0.00 C ATOM 0 H VAL A 75 2.177 -6.283 3.722 1.00 0.00 H new ATOM 0 HA VAL A 75 4.258 -7.491 2.026 1.00 0.00 H new ATOM 0 HB VAL A 75 4.357 -5.273 0.885 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.268 -5.551 -0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.064 -7.111 -0.083 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.640 -6.629 0.868 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.501 -3.682 1.183 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.877 -4.671 2.524 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.460 -3.872 2.670 1.00 0.00 H new ATOM 1256 N ALA A 76 4.535 -5.543 4.583 1.00 0.00 N ATOM 1257 CA ALA A 76 5.467 -4.901 5.508 1.00 0.00 C ATOM 1258 C ALA A 76 6.645 -5.819 5.862 1.00 0.00 C ATOM 1259 O ALA A 76 7.798 -5.396 5.756 1.00 0.00 O ATOM 1260 CB ALA A 76 4.752 -4.429 6.770 1.00 0.00 C ATOM 0 H ALA A 76 3.582 -5.629 4.937 1.00 0.00 H new ATOM 0 HA ALA A 76 5.874 -4.028 4.998 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.470 -3.956 7.440 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.977 -3.711 6.502 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.297 -5.283 7.271 1.00 0.00 H new ATOM 1266 N PRO A 77 6.395 -7.091 6.273 1.00 0.00 N ATOM 1267 CA PRO A 77 7.475 -8.022 6.625 1.00 0.00 C ATOM 1268 C PRO A 77 8.465 -8.244 5.483 1.00 0.00 C ATOM 1269 O PRO A 77 9.650 -8.497 5.715 1.00 0.00 O ATOM 1270 CB PRO A 77 6.741 -9.330 6.946 1.00 0.00 C ATOM 1271 CG PRO A 77 5.358 -8.915 7.300 1.00 0.00 C ATOM 1272 CD PRO A 77 5.066 -7.717 6.448 1.00 0.00 C ATOM 0 HA PRO A 77 8.075 -7.636 7.449 1.00 0.00 H new ATOM 0 HB2 PRO A 77 6.744 -10.005 6.090 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.218 -9.859 7.771 1.00 0.00 H new ATOM 0 HG2 PRO A 77 4.646 -9.717 7.105 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.281 -8.671 8.359 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.626 -8.001 5.492 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.363 -7.040 6.934 1.00 0.00 H new ATOM 1280 N TYR A 78 7.989 -8.141 4.248 1.00 0.00 N ATOM 1281 CA TYR A 78 8.851 -8.375 3.104 1.00 0.00 C ATOM 1282 C TYR A 78 9.653 -7.125 2.762 1.00 0.00 C ATOM 1283 O TYR A 78 10.867 -7.198 2.579 1.00 0.00 O ATOM 1284 CB TYR A 78 8.059 -8.838 1.880 1.00 0.00 C ATOM 1285 CG TYR A 78 8.963 -9.217 0.730 1.00 0.00 C ATOM 1286 CD1 TYR A 78 9.763 -10.349 0.809 1.00 0.00 C ATOM 1287 CD2 TYR A 78 9.045 -8.433 -0.415 1.00 0.00 C ATOM 1288 CE1 TYR A 78 10.614 -10.694 -0.220 1.00 0.00 C ATOM 1289 CE2 TYR A 78 9.900 -8.769 -1.447 1.00 0.00 C ATOM 1290 CZ TYR A 78 10.680 -9.900 -1.342 1.00 0.00 C ATOM 1291 OH TYR A 78 11.540 -10.234 -2.358 1.00 0.00 O ATOM 0 H TYR A 78 7.025 -7.900 4.018 1.00 0.00 H new ATOM 0 HA TYR A 78 9.539 -9.173 3.382 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.440 -9.693 2.151 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.384 -8.043 1.563 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.718 -10.970 1.691 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.431 -7.548 -0.499 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.225 -11.582 -0.146 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.957 -8.149 -2.330 1.00 0.00 H new ATOM 0 HH TYR A 78 11.130 -10.012 -3.220 1.00 0.00 H new ATOM 1301 N TYR A 79 8.981 -5.979 2.693 1.00 0.00 N ATOM 1302 CA TYR A 79 9.654 -4.725 2.362 1.00 0.00 C ATOM 1303 C TYR A 79 10.646 -4.327 3.447 1.00 0.00 C ATOM 1304 O TYR A 79 11.582 -3.575 3.188 1.00 0.00 O ATOM 1305 CB TYR A 79 8.647 -3.601 2.121 1.00 0.00 C ATOM 1306 CG TYR A 79 8.066 -3.602 0.724 1.00 0.00 C ATOM 1307 CD1 TYR A 79 8.892 -3.465 -0.386 1.00 0.00 C ATOM 1308 CD2 TYR A 79 6.701 -3.743 0.512 1.00 0.00 C ATOM 1309 CE1 TYR A 79 8.374 -3.460 -1.665 1.00 0.00 C ATOM 1310 CE2 TYR A 79 6.175 -3.738 -0.768 1.00 0.00 C ATOM 1311 CZ TYR A 79 7.017 -3.598 -1.852 1.00 0.00 C ATOM 1312 OH TYR A 79 6.501 -3.591 -3.128 1.00 0.00 O ATOM 0 H TYR A 79 7.979 -5.892 2.860 1.00 0.00 H new ATOM 0 HA TYR A 79 10.208 -4.889 1.438 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.836 -3.689 2.844 1.00 0.00 H new ATOM 0 HB3 TYR A 79 9.133 -2.643 2.303 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.958 -3.361 -0.245 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.040 -3.858 1.358 1.00 0.00 H new ATOM 0 HE1 TYR A 79 9.030 -3.348 -2.516 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.111 -3.843 -0.918 1.00 0.00 H new ATOM 0 HH TYR A 79 6.404 -4.513 -3.447 1.00 0.00 H new ATOM 1322 N GLU A 80 10.444 -4.841 4.655 1.00 0.00 N ATOM 1323 CA GLU A 80 11.400 -4.646 5.735 1.00 0.00 C ATOM 1324 C GLU A 80 12.768 -5.196 5.327 1.00 0.00 C ATOM 1325 O GLU A 80 13.809 -4.612 5.630 1.00 0.00 O ATOM 1326 CB GLU A 80 10.906 -5.343 7.009 1.00 0.00 C ATOM 1327 CG GLU A 80 11.804 -5.129 8.216 1.00 0.00 C ATOM 1328 CD GLU A 80 11.324 -5.880 9.438 1.00 0.00 C ATOM 1329 OE1 GLU A 80 11.723 -7.051 9.620 1.00 0.00 O ATOM 1330 OE2 GLU A 80 10.535 -5.314 10.221 1.00 0.00 O ATOM 0 H GLU A 80 9.627 -5.396 4.910 1.00 0.00 H new ATOM 0 HA GLU A 80 11.495 -3.579 5.936 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.905 -4.981 7.244 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.821 -6.413 6.817 1.00 0.00 H new ATOM 0 HG2 GLU A 80 12.817 -5.449 7.972 1.00 0.00 H new ATOM 0 HG3 GLU A 80 11.852 -4.064 8.444 1.00 0.00 H new ATOM 1337 N MET A 81 12.750 -6.311 4.611 1.00 0.00 N ATOM 1338 CA MET A 81 13.976 -6.955 4.158 1.00 0.00 C ATOM 1339 C MET A 81 14.375 -6.436 2.784 1.00 0.00 C ATOM 1340 O MET A 81 15.560 -6.276 2.488 1.00 0.00 O ATOM 1341 CB MET A 81 13.783 -8.468 4.088 1.00 0.00 C ATOM 1342 CG MET A 81 13.309 -9.092 5.388 1.00 0.00 C ATOM 1343 SD MET A 81 13.016 -10.864 5.224 1.00 0.00 S ATOM 1344 CE MET A 81 11.795 -10.886 3.911 1.00 0.00 C ATOM 0 H MET A 81 11.895 -6.791 4.330 1.00 0.00 H new ATOM 0 HA MET A 81 14.766 -6.722 4.872 1.00 0.00 H new ATOM 0 HB2 MET A 81 13.061 -8.696 3.304 1.00 0.00 H new ATOM 0 HB3 MET A 81 14.726 -8.931 3.798 1.00 0.00 H new ATOM 0 HG2 MET A 81 14.053 -8.919 6.165 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.391 -8.602 5.711 1.00 0.00 H new ATOM 0 HE1 MET A 81 10.974 -11.546 4.189 1.00 0.00 H new ATOM 0 HE2 MET A 81 11.413 -9.878 3.753 1.00 0.00 H new ATOM 0 HE3 MET A 81 12.256 -11.248 2.992 1.00 0.00 H new ATOM 1354 N ALA A 82 13.374 -6.186 1.948 1.00 0.00 N ATOM 1355 CA ALA A 82 13.603 -5.722 0.588 1.00 0.00 C ATOM 1356 C ALA A 82 14.253 -4.343 0.577 1.00 0.00 C ATOM 1357 O ALA A 82 15.046 -4.026 -0.310 1.00 0.00 O ATOM 1358 CB ALA A 82 12.296 -5.697 -0.189 1.00 0.00 C ATOM 0 H ALA A 82 12.390 -6.298 2.192 1.00 0.00 H new ATOM 0 HA ALA A 82 14.287 -6.420 0.105 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.483 -5.348 -1.204 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.873 -6.701 -0.223 1.00 0.00 H new ATOM 0 HB3 ALA A 82 11.593 -5.024 0.302 1.00 0.00 H new ATOM 1364 N LEU A 83 13.911 -3.527 1.562 1.00 0.00 N ATOM 1365 CA LEU A 83 14.487 -2.204 1.682 1.00 0.00 C ATOM 1366 C LEU A 83 15.565 -2.209 2.759 1.00 0.00 C ATOM 1367 O LEU A 83 15.301 -2.553 3.915 1.00 0.00 O ATOM 1368 CB LEU A 83 13.398 -1.179 2.003 1.00 0.00 C ATOM 1369 CG LEU A 83 13.833 0.285 1.931 1.00 0.00 C ATOM 1370 CD1 LEU A 83 14.462 0.594 0.582 1.00 0.00 C ATOM 1371 CD2 LEU A 83 12.641 1.195 2.179 1.00 0.00 C ATOM 0 H LEU A 83 13.236 -3.762 2.289 1.00 0.00 H new ATOM 0 HA LEU A 83 14.945 -1.923 0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 83 12.568 -1.328 1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 83 13.019 -1.379 3.005 1.00 0.00 H new ATOM 0 HG LEU A 83 14.581 0.463 2.704 1.00 0.00 H new ATOM 0 HD11 LEU A 83 14.764 1.641 0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 83 15.336 -0.040 0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.737 0.403 -0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 83 12.961 2.236 2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 83 11.879 1.010 1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 83 12.228 0.992 3.167 1.00 0.00 H new ATOM 1383 N ALA A 84 16.775 -1.835 2.356 1.00 0.00 N ATOM 1384 CA ALA A 84 17.955 -1.890 3.217 1.00 0.00 C ATOM 1385 C ALA A 84 17.749 -1.166 4.546 1.00 0.00 C ATOM 1386 O ALA A 84 17.217 -0.054 4.588 1.00 0.00 O ATOM 1387 CB ALA A 84 19.147 -1.301 2.480 1.00 0.00 C ATOM 0 H ALA A 84 16.967 -1.483 1.418 1.00 0.00 H new ATOM 0 HA ALA A 84 18.139 -2.938 3.454 1.00 0.00 H new ATOM 0 HB1 ALA A 84 20.028 -1.342 3.121 1.00 0.00 H new ATOM 0 HB2 ALA A 84 19.333 -1.874 1.572 1.00 0.00 H new ATOM 0 HB3 ALA A 84 18.937 -0.264 2.218 1.00 0.00 H new ATOM 1393 N THR A 85 18.189 -1.807 5.626 1.00 0.00 N ATOM 1394 CA THR A 85 18.074 -1.257 6.966 1.00 0.00 C ATOM 1395 C THR A 85 18.867 0.040 7.107 1.00 0.00 C ATOM 1396 O THR A 85 18.506 0.921 7.889 1.00 0.00 O ATOM 1397 CB THR A 85 18.565 -2.277 8.010 1.00 0.00 C ATOM 1398 OG1 THR A 85 19.891 -2.720 7.688 1.00 0.00 O ATOM 1399 CG2 THR A 85 17.636 -3.478 8.080 1.00 0.00 C ATOM 0 H THR A 85 18.635 -2.724 5.592 1.00 0.00 H new ATOM 0 HA THR A 85 17.021 -1.037 7.140 1.00 0.00 H new ATOM 0 HB THR A 85 18.572 -1.782 8.981 1.00 0.00 H new ATOM 0 HG1 THR A 85 20.192 -3.367 8.360 1.00 0.00 H new ATOM 0 HG21 THR A 85 18.007 -4.182 8.825 1.00 0.00 H new ATOM 0 HG22 THR A 85 16.635 -3.148 8.359 1.00 0.00 H new ATOM 0 HG23 THR A 85 17.599 -3.966 7.106 1.00 0.00 H new ATOM 1407 N ASP A 86 19.928 0.166 6.317 1.00 0.00 N ATOM 1408 CA ASP A 86 20.788 1.336 6.353 1.00 0.00 C ATOM 1409 C ASP A 86 20.179 2.495 5.569 1.00 0.00 C ATOM 1410 O ASP A 86 20.840 3.500 5.310 1.00 0.00 O ATOM 1411 CB ASP A 86 22.163 0.985 5.789 1.00 0.00 C ATOM 1412 CG ASP A 86 22.106 0.500 4.354 1.00 0.00 C ATOM 1413 OD1 ASP A 86 21.741 -0.673 4.136 1.00 0.00 O ATOM 1414 OD2 ASP A 86 22.440 1.281 3.442 1.00 0.00 O ATOM 0 H ASP A 86 20.213 -0.539 5.637 1.00 0.00 H new ATOM 0 HA ASP A 86 20.892 1.651 7.391 1.00 0.00 H new ATOM 0 HB2 ASP A 86 22.808 1.862 5.845 1.00 0.00 H new ATOM 0 HB3 ASP A 86 22.619 0.214 6.410 1.00 0.00 H new ATOM 1419 N HIS A 87 18.915 2.351 5.196 1.00 0.00 N ATOM 1420 CA HIS A 87 18.188 3.415 4.520 1.00 0.00 C ATOM 1421 C HIS A 87 17.119 3.968 5.464 1.00 0.00 C ATOM 1422 O HIS A 87 15.994 3.478 5.479 1.00 0.00 O ATOM 1423 CB HIS A 87 17.551 2.878 3.230 1.00 0.00 C ATOM 1424 CG HIS A 87 17.172 3.936 2.237 1.00 0.00 C ATOM 1425 ND1 HIS A 87 17.890 4.169 1.088 1.00 0.00 N ATOM 1426 CD2 HIS A 87 16.136 4.806 2.211 1.00 0.00 C ATOM 1427 CE1 HIS A 87 17.317 5.134 0.398 1.00 0.00 C ATOM 1428 NE2 HIS A 87 16.250 5.540 1.056 1.00 0.00 N ATOM 0 H HIS A 87 18.370 1.503 5.351 1.00 0.00 H new ATOM 0 HA HIS A 87 18.874 4.218 4.250 1.00 0.00 H new ATOM 0 HB2 HIS A 87 18.247 2.186 2.757 1.00 0.00 H new ATOM 0 HB3 HIS A 87 16.660 2.306 3.490 1.00 0.00 H new ATOM 0 HD2 HIS A 87 15.363 4.905 2.959 1.00 0.00 H new ATOM 0 HE1 HIS A 87 17.663 5.526 -0.547 1.00 0.00 H new ATOM 0 HE2 HIS A 87 15.613 6.278 0.757 1.00 0.00 H new ATOM 1437 N PRO A 88 17.461 5.004 6.253 1.00 0.00 N ATOM 1438 CA PRO A 88 16.623 5.500 7.366 1.00 0.00 C ATOM 1439 C PRO A 88 15.197 5.873 6.957 1.00 0.00 C ATOM 1440 O PRO A 88 14.277 5.836 7.773 1.00 0.00 O ATOM 1441 CB PRO A 88 17.376 6.743 7.866 1.00 0.00 C ATOM 1442 CG PRO A 88 18.337 7.088 6.780 1.00 0.00 C ATOM 1443 CD PRO A 88 18.699 5.790 6.124 1.00 0.00 C ATOM 0 HA PRO A 88 16.488 4.723 8.119 1.00 0.00 H new ATOM 0 HB2 PRO A 88 16.689 7.567 8.059 1.00 0.00 H new ATOM 0 HB3 PRO A 88 17.897 6.537 8.801 1.00 0.00 H new ATOM 0 HG2 PRO A 88 17.887 7.775 6.064 1.00 0.00 H new ATOM 0 HG3 PRO A 88 19.221 7.582 7.183 1.00 0.00 H new ATOM 0 HD2 PRO A 88 18.983 5.929 5.081 1.00 0.00 H new ATOM 0 HD3 PRO A 88 19.539 5.306 6.621 1.00 0.00 H new ATOM 1451 N GLN A 89 15.014 6.209 5.688 1.00 0.00 N ATOM 1452 CA GLN A 89 13.708 6.623 5.177 1.00 0.00 C ATOM 1453 C GLN A 89 12.714 5.451 5.167 1.00 0.00 C ATOM 1454 O GLN A 89 11.513 5.643 4.979 1.00 0.00 O ATOM 1455 CB GLN A 89 13.863 7.199 3.768 1.00 0.00 C ATOM 1456 CG GLN A 89 14.894 8.317 3.680 1.00 0.00 C ATOM 1457 CD GLN A 89 15.165 8.756 2.255 1.00 0.00 C ATOM 1458 OE1 GLN A 89 15.042 7.967 1.318 1.00 0.00 O ATOM 1459 NE2 GLN A 89 15.550 10.010 2.080 1.00 0.00 N ATOM 0 H GLN A 89 15.755 6.204 4.988 1.00 0.00 H new ATOM 0 HA GLN A 89 13.309 7.391 5.840 1.00 0.00 H new ATOM 0 HB2 GLN A 89 14.148 6.398 3.086 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.898 7.577 3.430 1.00 0.00 H new ATOM 0 HG2 GLN A 89 14.546 9.172 4.259 1.00 0.00 H new ATOM 0 HG3 GLN A 89 15.826 7.982 4.136 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.640 10.633 2.883 1.00 0.00 H new ATOM 0 HE22 GLN A 89 15.757 10.354 1.142 1.00 0.00 H new ATOM 1468 N ARG A 90 13.230 4.240 5.386 1.00 0.00 N ATOM 1469 CA ARG A 90 12.413 3.025 5.379 1.00 0.00 C ATOM 1470 C ARG A 90 11.383 3.038 6.504 1.00 0.00 C ATOM 1471 O ARG A 90 10.294 2.486 6.362 1.00 0.00 O ATOM 1472 CB ARG A 90 13.313 1.790 5.524 1.00 0.00 C ATOM 1473 CG ARG A 90 13.997 1.699 6.881 1.00 0.00 C ATOM 1474 CD ARG A 90 15.148 0.708 6.881 1.00 0.00 C ATOM 1475 NE ARG A 90 14.708 -0.680 6.754 1.00 0.00 N ATOM 1476 CZ ARG A 90 14.640 -1.522 7.783 1.00 0.00 C ATOM 1477 NH1 ARG A 90 14.851 -1.083 9.019 1.00 0.00 N ATOM 1478 NH2 ARG A 90 14.348 -2.798 7.580 1.00 0.00 N ATOM 0 H ARG A 90 14.219 4.074 5.572 1.00 0.00 H new ATOM 0 HA ARG A 90 11.880 2.987 4.429 1.00 0.00 H new ATOM 0 HB2 ARG A 90 12.715 0.893 5.366 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.073 1.809 4.743 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.368 2.684 7.165 1.00 0.00 H new ATOM 0 HG3 ARG A 90 13.267 1.404 7.635 1.00 0.00 H new ATOM 0 HD2 ARG A 90 15.824 0.945 6.060 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.716 0.820 7.804 1.00 0.00 H new ATOM 0 HE ARG A 90 14.440 -1.021 5.831 1.00 0.00 H new ATOM 0 HH11 ARG A 90 15.066 -0.099 9.181 1.00 0.00 H new ATOM 0 HH12 ARG A 90 14.798 -1.730 9.806 1.00 0.00 H new ATOM 0 HH21 ARG A 90 14.175 -3.137 6.634 1.00 0.00 H new ATOM 0 HH22 ARG A 90 14.296 -3.441 8.370 1.00 0.00 H new ATOM 1492 N ALA A 91 11.729 3.688 7.610 1.00 0.00 N ATOM 1493 CA ALA A 91 10.902 3.668 8.811 1.00 0.00 C ATOM 1494 C ALA A 91 9.526 4.275 8.563 1.00 0.00 C ATOM 1495 O ALA A 91 8.529 3.818 9.120 1.00 0.00 O ATOM 1496 CB ALA A 91 11.610 4.398 9.940 1.00 0.00 C ATOM 0 H ALA A 91 12.583 4.239 7.699 1.00 0.00 H new ATOM 0 HA ALA A 91 10.750 2.627 9.095 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.986 4.379 10.833 1.00 0.00 H new ATOM 0 HB2 ALA A 91 12.560 3.908 10.151 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.792 5.432 9.647 1.00 0.00 H new ATOM 1502 N LEU A 92 9.475 5.296 7.722 1.00 0.00 N ATOM 1503 CA LEU A 92 8.214 5.952 7.408 1.00 0.00 C ATOM 1504 C LEU A 92 7.381 5.082 6.472 1.00 0.00 C ATOM 1505 O LEU A 92 6.162 4.977 6.617 1.00 0.00 O ATOM 1506 CB LEU A 92 8.467 7.321 6.778 1.00 0.00 C ATOM 1507 CG LEU A 92 9.291 8.285 7.635 1.00 0.00 C ATOM 1508 CD1 LEU A 92 9.508 9.594 6.898 1.00 0.00 C ATOM 1509 CD2 LEU A 92 8.609 8.532 8.973 1.00 0.00 C ATOM 0 H LEU A 92 10.288 5.688 7.246 1.00 0.00 H new ATOM 0 HA LEU A 92 7.658 6.095 8.335 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.978 7.177 5.826 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.506 7.786 6.557 1.00 0.00 H new ATOM 0 HG LEU A 92 10.263 7.830 7.827 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.096 10.269 7.520 1.00 0.00 H new ATOM 0 HD12 LEU A 92 10.041 9.403 5.967 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.544 10.051 6.677 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.211 9.220 9.567 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.623 8.965 8.804 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.504 7.588 9.507 1.00 0.00 H new ATOM 1521 N ILE A 93 8.053 4.442 5.525 1.00 0.00 N ATOM 1522 CA ILE A 93 7.387 3.566 4.573 1.00 0.00 C ATOM 1523 C ILE A 93 6.819 2.346 5.290 1.00 0.00 C ATOM 1524 O ILE A 93 5.655 1.990 5.106 1.00 0.00 O ATOM 1525 CB ILE A 93 8.351 3.107 3.459 1.00 0.00 C ATOM 1526 CG1 ILE A 93 8.963 4.323 2.755 1.00 0.00 C ATOM 1527 CG2 ILE A 93 7.623 2.217 2.459 1.00 0.00 C ATOM 1528 CD1 ILE A 93 9.980 3.966 1.692 1.00 0.00 C ATOM 0 H ILE A 93 9.062 4.514 5.396 1.00 0.00 H new ATOM 0 HA ILE A 93 6.577 4.132 4.113 1.00 0.00 H new ATOM 0 HB ILE A 93 9.156 2.527 3.910 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.164 4.907 2.298 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.439 4.961 3.500 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.317 1.902 1.680 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.230 1.339 2.972 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.800 2.773 2.009 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.368 4.878 1.239 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.800 3.409 2.145 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.505 3.354 0.925 1.00 0.00 H new ATOM 1540 N LEU A 94 7.644 1.725 6.128 1.00 0.00 N ATOM 1541 CA LEU A 94 7.229 0.555 6.892 1.00 0.00 C ATOM 1542 C LEU A 94 6.073 0.903 7.823 1.00 0.00 C ATOM 1543 O LEU A 94 5.212 0.068 8.094 1.00 0.00 O ATOM 1544 CB LEU A 94 8.406 -0.010 7.692 1.00 0.00 C ATOM 1545 CG LEU A 94 9.579 -0.522 6.849 1.00 0.00 C ATOM 1546 CD1 LEU A 94 10.728 -0.970 7.738 1.00 0.00 C ATOM 1547 CD2 LEU A 94 9.132 -1.663 5.948 1.00 0.00 C ATOM 0 H LEU A 94 8.608 2.015 6.295 1.00 0.00 H new ATOM 0 HA LEU A 94 6.889 -0.207 6.191 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.773 0.765 8.365 1.00 0.00 H new ATOM 0 HB3 LEU A 94 8.043 -0.827 8.315 1.00 0.00 H new ATOM 0 HG LEU A 94 9.929 0.298 6.223 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.549 -1.329 7.118 1.00 0.00 H new ATOM 0 HD12 LEU A 94 11.070 -0.129 8.342 1.00 0.00 H new ATOM 0 HD13 LEU A 94 10.390 -1.773 8.393 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.978 -2.013 5.357 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.752 -2.482 6.559 1.00 0.00 H new ATOM 0 HD23 LEU A 94 8.344 -1.313 5.281 1.00 0.00 H new ATOM 1559 N ALA A 95 6.049 2.148 8.290 1.00 0.00 N ATOM 1560 CA ALA A 95 4.970 2.631 9.144 1.00 0.00 C ATOM 1561 C ALA A 95 3.624 2.553 8.427 1.00 0.00 C ATOM 1562 O ALA A 95 2.646 2.024 8.962 1.00 0.00 O ATOM 1563 CB ALA A 95 5.250 4.060 9.584 1.00 0.00 C ATOM 0 H ALA A 95 6.768 2.843 8.090 1.00 0.00 H new ATOM 0 HA ALA A 95 4.921 1.990 10.025 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.438 4.410 10.221 1.00 0.00 H new ATOM 0 HB2 ALA A 95 6.187 4.093 10.140 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.326 4.703 8.707 1.00 0.00 H new ATOM 1569 N GLU A 96 3.576 3.069 7.204 1.00 0.00 N ATOM 1570 CA GLU A 96 2.347 3.033 6.422 1.00 0.00 C ATOM 1571 C GLU A 96 2.008 1.609 6.003 1.00 0.00 C ATOM 1572 O GLU A 96 0.841 1.277 5.782 1.00 0.00 O ATOM 1573 CB GLU A 96 2.458 3.936 5.196 1.00 0.00 C ATOM 1574 CG GLU A 96 2.515 5.414 5.542 1.00 0.00 C ATOM 1575 CD GLU A 96 1.438 5.821 6.524 1.00 0.00 C ATOM 1576 OE1 GLU A 96 0.276 5.975 6.107 1.00 0.00 O ATOM 1577 OE2 GLU A 96 1.753 5.979 7.723 1.00 0.00 O ATOM 0 H GLU A 96 4.366 3.513 6.736 1.00 0.00 H new ATOM 0 HA GLU A 96 1.539 3.405 7.053 1.00 0.00 H new ATOM 0 HB2 GLU A 96 3.353 3.667 4.635 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.605 3.756 4.542 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.493 5.648 5.963 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.411 6.002 4.630 1.00 0.00 H new ATOM 1584 N LEU A 97 3.028 0.768 5.905 1.00 0.00 N ATOM 1585 CA LEU A 97 2.824 -0.635 5.587 1.00 0.00 C ATOM 1586 C LEU A 97 2.203 -1.362 6.776 1.00 0.00 C ATOM 1587 O LEU A 97 1.343 -2.221 6.598 1.00 0.00 O ATOM 1588 CB LEU A 97 4.141 -1.295 5.181 1.00 0.00 C ATOM 1589 CG LEU A 97 4.783 -0.729 3.914 1.00 0.00 C ATOM 1590 CD1 LEU A 97 6.057 -1.484 3.578 1.00 0.00 C ATOM 1591 CD2 LEU A 97 3.807 -0.781 2.750 1.00 0.00 C ATOM 0 H LEU A 97 4.003 1.034 6.041 1.00 0.00 H new ATOM 0 HA LEU A 97 2.138 -0.701 4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.849 -1.196 6.004 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.967 -2.361 5.037 1.00 0.00 H new ATOM 0 HG LEU A 97 5.041 0.314 4.097 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.499 -1.067 2.673 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.763 -1.392 4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.824 -2.536 3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.283 -0.374 1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.515 -1.815 2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.922 -0.192 2.990 1.00 0.00 H new ATOM 1603 N GLU A 98 2.630 -1.000 7.989 1.00 0.00 N ATOM 1604 CA GLU A 98 2.019 -1.536 9.202 1.00 0.00 C ATOM 1605 C GLU A 98 0.521 -1.279 9.182 1.00 0.00 C ATOM 1606 O GLU A 98 -0.275 -2.152 9.524 1.00 0.00 O ATOM 1607 CB GLU A 98 2.611 -0.895 10.463 1.00 0.00 C ATOM 1608 CG GLU A 98 4.071 -1.220 10.715 1.00 0.00 C ATOM 1609 CD GLU A 98 4.526 -0.742 12.077 1.00 0.00 C ATOM 1610 OE1 GLU A 98 4.372 -1.500 13.057 1.00 0.00 O ATOM 1611 OE2 GLU A 98 5.025 0.397 12.183 1.00 0.00 O ATOM 0 H GLU A 98 3.392 -0.342 8.154 1.00 0.00 H new ATOM 0 HA GLU A 98 2.222 -2.607 9.226 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.501 0.187 10.389 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.027 -1.217 11.326 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.222 -2.297 10.638 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.685 -0.756 9.943 1.00 0.00 H new ATOM 1618 N LYS A 99 0.152 -0.071 8.782 1.00 0.00 N ATOM 1619 CA LYS A 99 -1.251 0.307 8.686 1.00 0.00 C ATOM 1620 C LYS A 99 -1.970 -0.527 7.630 1.00 0.00 C ATOM 1621 O LYS A 99 -3.004 -1.129 7.906 1.00 0.00 O ATOM 1622 CB LYS A 99 -1.378 1.796 8.359 1.00 0.00 C ATOM 1623 CG LYS A 99 -0.778 2.703 9.419 1.00 0.00 C ATOM 1624 CD LYS A 99 -0.980 4.172 9.084 1.00 0.00 C ATOM 1625 CE LYS A 99 -0.290 5.073 10.096 1.00 0.00 C ATOM 1626 NZ LYS A 99 1.187 4.914 10.063 1.00 0.00 N ATOM 0 H LYS A 99 0.806 0.666 8.518 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.721 0.115 9.651 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -0.889 1.993 7.405 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.432 2.044 8.235 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -1.233 2.484 10.385 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.288 2.495 9.515 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.589 4.376 8.087 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -2.046 4.398 9.061 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -0.548 6.112 9.892 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -0.658 4.844 11.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 1.628 5.637 10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 1.442 3.969 10.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.526 5.025 9.086 1.00 0.00 H new ATOM 1640 N LEU A 100 -1.399 -0.573 6.429 1.00 0.00 N ATOM 1641 CA LEU A 100 -2.007 -1.282 5.302 1.00 0.00 C ATOM 1642 C LEU A 100 -2.252 -2.755 5.637 1.00 0.00 C ATOM 1643 O LEU A 100 -3.384 -3.246 5.548 1.00 0.00 O ATOM 1644 CB LEU A 100 -1.103 -1.169 4.070 1.00 0.00 C ATOM 1645 CG LEU A 100 -1.694 -1.715 2.769 1.00 0.00 C ATOM 1646 CD1 LEU A 100 -2.895 -0.887 2.337 1.00 0.00 C ATOM 1647 CD2 LEU A 100 -0.639 -1.738 1.674 1.00 0.00 C ATOM 0 H LEU A 100 -0.510 -0.125 6.209 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.972 -0.820 5.091 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.850 -0.119 3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.171 -1.696 4.275 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.029 -2.737 2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.301 -1.291 1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.659 -0.922 3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.586 0.146 2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.076 -2.129 0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.274 -0.726 1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.190 -2.375 1.981 1.00 0.00 H new ATOM 1659 N ASP A 101 -1.190 -3.445 6.040 1.00 0.00 N ATOM 1660 CA ASP A 101 -1.272 -4.862 6.389 1.00 0.00 C ATOM 1661 C ASP A 101 -2.307 -5.098 7.484 1.00 0.00 C ATOM 1662 O ASP A 101 -3.055 -6.077 7.455 1.00 0.00 O ATOM 1663 CB ASP A 101 0.087 -5.383 6.867 1.00 0.00 C ATOM 1664 CG ASP A 101 1.095 -5.591 5.749 1.00 0.00 C ATOM 1665 OD1 ASP A 101 0.813 -5.224 4.593 1.00 0.00 O ATOM 1666 OD2 ASP A 101 2.186 -6.136 6.033 1.00 0.00 O ATOM 0 H ASP A 101 -0.257 -3.044 6.134 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.572 -5.401 5.490 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.501 -4.680 7.590 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.061 -6.328 7.390 1.00 0.00 H new ATOM 1671 N ALA A 102 -2.354 -4.187 8.450 1.00 0.00 N ATOM 1672 CA ALA A 102 -3.276 -4.310 9.572 1.00 0.00 C ATOM 1673 C ALA A 102 -4.719 -4.060 9.144 1.00 0.00 C ATOM 1674 O ALA A 102 -5.651 -4.405 9.867 1.00 0.00 O ATOM 1675 CB ALA A 102 -2.887 -3.359 10.690 1.00 0.00 C ATOM 0 H ALA A 102 -1.764 -3.355 8.478 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.209 -5.334 9.940 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.587 -3.466 11.519 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -1.880 -3.594 11.034 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -2.915 -2.334 10.321 1.00 0.00 H new ATOM 1681 N LEU A 103 -4.900 -3.459 7.974 1.00 0.00 N ATOM 1682 CA LEU A 103 -6.237 -3.196 7.458 1.00 0.00 C ATOM 1683 C LEU A 103 -6.797 -4.432 6.769 1.00 0.00 C ATOM 1684 O LEU A 103 -7.996 -4.690 6.819 1.00 0.00 O ATOM 1685 CB LEU A 103 -6.224 -2.009 6.495 1.00 0.00 C ATOM 1686 CG LEU A 103 -5.791 -0.681 7.119 1.00 0.00 C ATOM 1687 CD1 LEU A 103 -5.809 0.426 6.083 1.00 0.00 C ATOM 1688 CD2 LEU A 103 -6.682 -0.323 8.299 1.00 0.00 C ATOM 0 H LEU A 103 -4.142 -3.146 7.368 1.00 0.00 H new ATOM 0 HA LEU A 103 -6.882 -2.946 8.300 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.556 -2.240 5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.223 -1.889 6.076 1.00 0.00 H new ATOM 0 HG LEU A 103 -4.770 -0.794 7.485 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.498 1.363 6.546 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.124 0.177 5.272 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.818 0.535 5.685 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.356 0.625 8.727 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -7.714 -0.232 7.961 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.615 -1.105 9.056 1.00 0.00 H new ATOM 1700 N PHE A 104 -5.929 -5.203 6.129 1.00 0.00 N ATOM 1701 CA PHE A 104 -6.356 -6.468 5.533 1.00 0.00 C ATOM 1702 C PHE A 104 -6.606 -7.508 6.615 1.00 0.00 C ATOM 1703 O PHE A 104 -7.382 -8.444 6.429 1.00 0.00 O ATOM 1704 CB PHE A 104 -5.321 -6.977 4.531 1.00 0.00 C ATOM 1705 CG PHE A 104 -5.199 -6.094 3.324 1.00 0.00 C ATOM 1706 CD1 PHE A 104 -6.061 -6.243 2.250 1.00 0.00 C ATOM 1707 CD2 PHE A 104 -4.231 -5.106 3.269 1.00 0.00 C ATOM 1708 CE1 PHE A 104 -5.956 -5.423 1.145 1.00 0.00 C ATOM 1709 CE2 PHE A 104 -4.122 -4.285 2.166 1.00 0.00 C ATOM 1710 CZ PHE A 104 -4.986 -4.443 1.103 1.00 0.00 C ATOM 0 H PHE A 104 -4.940 -4.983 6.008 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.289 -6.292 4.997 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -4.351 -7.049 5.022 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -5.593 -7.984 4.213 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.823 -7.008 2.278 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.553 -4.976 4.100 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.633 -5.548 0.313 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.361 -3.519 2.135 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.903 -3.800 0.239 1.00 0.00 H new ATOM 1720 N ALA A 105 -5.950 -7.327 7.750 1.00 0.00 N ATOM 1721 CA ALA A 105 -6.154 -8.192 8.901 1.00 0.00 C ATOM 1722 C ALA A 105 -7.135 -7.553 9.883 1.00 0.00 C ATOM 1723 O ALA A 105 -7.236 -7.969 11.040 1.00 0.00 O ATOM 1724 CB ALA A 105 -4.823 -8.472 9.582 1.00 0.00 C ATOM 0 H ALA A 105 -5.267 -6.584 7.899 1.00 0.00 H new ATOM 0 HA ALA A 105 -6.579 -9.136 8.561 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -4.984 -9.121 10.443 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -4.151 -8.963 8.879 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -4.379 -7.533 9.913 1.00 0.00 H new ATOM 1730 N ASP A 106 -7.859 -6.544 9.412 1.00 0.00 N ATOM 1731 CA ASP A 106 -8.806 -5.810 10.252 1.00 0.00 C ATOM 1732 C ASP A 106 -10.152 -6.521 10.314 1.00 0.00 C ATOM 1733 O ASP A 106 -10.765 -6.623 11.380 1.00 0.00 O ATOM 1734 CB ASP A 106 -8.989 -4.382 9.722 1.00 0.00 C ATOM 1735 CG ASP A 106 -10.097 -3.619 10.425 1.00 0.00 C ATOM 1736 OD1 ASP A 106 -9.906 -3.219 11.594 1.00 0.00 O ATOM 1737 OD2 ASP A 106 -11.159 -3.397 9.803 1.00 0.00 O ATOM 0 H ASP A 106 -7.810 -6.212 8.449 1.00 0.00 H new ATOM 0 HA ASP A 106 -8.397 -5.767 11.262 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.052 -3.836 9.836 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.206 -4.423 8.655 1.00 0.00 H new ATOM 1742 N ASP A 107 -10.603 -7.025 9.175 1.00 0.00 N ATOM 1743 CA ASP A 107 -11.900 -7.686 9.099 1.00 0.00 C ATOM 1744 C ASP A 107 -11.738 -9.199 9.164 1.00 0.00 C ATOM 1745 O ASP A 107 -10.804 -9.761 8.591 1.00 0.00 O ATOM 1746 CB ASP A 107 -12.630 -7.290 7.813 1.00 0.00 C ATOM 1747 CG ASP A 107 -14.036 -7.857 7.747 1.00 0.00 C ATOM 1748 OD1 ASP A 107 -14.208 -8.985 7.258 1.00 0.00 O ATOM 1749 OD2 ASP A 107 -14.983 -7.175 8.195 1.00 0.00 O ATOM 0 H ASP A 107 -10.093 -6.990 8.292 1.00 0.00 H new ATOM 0 HA ASP A 107 -12.495 -7.364 9.953 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -12.676 -6.203 7.745 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -12.060 -7.640 6.952 1.00 0.00 H new ATOM 1754 N ALA A 108 -12.648 -9.854 9.873 1.00 0.00 N ATOM 1755 CA ALA A 108 -12.610 -11.303 10.019 1.00 0.00 C ATOM 1756 C ALA A 108 -13.906 -11.930 9.512 1.00 0.00 C ATOM 1757 O ALA A 108 -14.259 -13.051 9.884 1.00 0.00 O ATOM 1758 CB ALA A 108 -12.365 -11.676 11.475 1.00 0.00 C ATOM 0 H ALA A 108 -13.424 -9.403 10.357 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.789 -11.693 9.417 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -12.338 -12.761 11.573 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -11.413 -11.259 11.802 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -13.168 -11.275 12.093 1.00 0.00 H new ATOM 1764 N SER A 109 -14.594 -11.213 8.641 1.00 0.00 N ATOM 1765 CA SER A 109 -15.882 -11.652 8.124 1.00 0.00 C ATOM 1766 C SER A 109 -15.934 -11.495 6.606 1.00 0.00 C ATOM 1767 O SER A 109 -17.002 -11.289 6.029 1.00 0.00 O ATOM 1768 CB SER A 109 -16.997 -10.841 8.788 1.00 0.00 C ATOM 1769 OG SER A 109 -16.703 -9.454 8.760 1.00 0.00 O ATOM 0 H SER A 109 -14.280 -10.315 8.273 1.00 0.00 H new ATOM 0 HA SER A 109 -16.020 -12.708 8.356 1.00 0.00 H new ATOM 0 HB2 SER A 109 -17.941 -11.027 8.276 1.00 0.00 H new ATOM 0 HB3 SER A 109 -17.125 -11.168 9.820 1.00 0.00 H new ATOM 0 HG SER A 109 -17.431 -8.957 9.189 1.00 0.00 H new ATOM 1775 N LEU A 110 -14.767 -11.610 5.981 1.00 0.00 N ATOM 1776 CA LEU A 110 -14.619 -11.446 4.536 1.00 0.00 C ATOM 1777 C LEU A 110 -15.659 -12.258 3.764 1.00 0.00 C ATOM 1778 O LEU A 110 -15.864 -13.443 4.036 1.00 0.00 O ATOM 1779 CB LEU A 110 -13.213 -11.871 4.114 1.00 0.00 C ATOM 1780 CG LEU A 110 -12.075 -11.150 4.838 1.00 0.00 C ATOM 1781 CD1 LEU A 110 -10.739 -11.782 4.491 1.00 0.00 C ATOM 1782 CD2 LEU A 110 -12.068 -9.671 4.481 1.00 0.00 C ATOM 0 H LEU A 110 -13.893 -11.820 6.463 1.00 0.00 H new ATOM 0 HA LEU A 110 -14.777 -10.394 4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -13.108 -12.943 4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -13.105 -11.704 3.042 1.00 0.00 H new ATOM 0 HG LEU A 110 -12.236 -11.247 5.912 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -9.941 -11.256 5.015 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -10.743 -12.829 4.793 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -10.573 -11.715 3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -11.252 -9.174 5.005 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -11.931 -9.557 3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -13.016 -9.221 4.776 1.00 0.00 H new ATOM 1794 N GLU A 111 -16.312 -11.603 2.810 1.00 0.00 N ATOM 1795 CA GLU A 111 -17.340 -12.239 1.994 1.00 0.00 C ATOM 1796 C GLU A 111 -16.779 -13.406 1.195 1.00 0.00 C ATOM 1797 O GLU A 111 -15.632 -13.380 0.746 1.00 0.00 O ATOM 1798 CB GLU A 111 -17.973 -11.217 1.046 1.00 0.00 C ATOM 1799 CG GLU A 111 -19.060 -10.381 1.694 1.00 0.00 C ATOM 1800 CD GLU A 111 -20.229 -11.233 2.138 1.00 0.00 C ATOM 1801 OE1 GLU A 111 -20.975 -11.726 1.265 1.00 0.00 O ATOM 1802 OE2 GLU A 111 -20.398 -11.438 3.355 1.00 0.00 O ATOM 0 H GLU A 111 -16.145 -10.623 2.582 1.00 0.00 H new ATOM 0 HA GLU A 111 -18.102 -12.628 2.669 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -17.195 -10.555 0.666 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -18.392 -11.741 0.187 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -18.649 -9.851 2.553 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -19.407 -9.625 0.989 1.00 0.00 H new ATOM 1809 N HIS A 112 -17.602 -14.430 1.031 1.00 0.00 N ATOM 1810 CA HIS A 112 -17.228 -15.606 0.263 1.00 0.00 C ATOM 1811 C HIS A 112 -18.091 -15.691 -0.988 1.00 0.00 C ATOM 1812 O HIS A 112 -19.174 -15.103 -1.041 1.00 0.00 O ATOM 1813 CB HIS A 112 -17.401 -16.884 1.094 1.00 0.00 C ATOM 1814 CG HIS A 112 -16.600 -16.909 2.363 1.00 0.00 C ATOM 1815 ND1 HIS A 112 -15.362 -17.502 2.464 1.00 0.00 N ATOM 1816 CD2 HIS A 112 -16.878 -16.418 3.594 1.00 0.00 C ATOM 1817 CE1 HIS A 112 -14.914 -17.376 3.700 1.00 0.00 C ATOM 1818 NE2 HIS A 112 -15.816 -16.721 4.407 1.00 0.00 N ATOM 0 H HIS A 112 -18.542 -14.469 1.424 1.00 0.00 H new ATOM 0 HA HIS A 112 -16.178 -15.517 -0.015 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -18.456 -17.002 1.342 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -17.119 -17.742 0.483 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -17.772 -15.885 3.883 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -13.969 -17.746 4.070 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -15.736 -16.480 5.395 1.00 0.00 H new ATOM 1827 N HIS A 113 -17.609 -16.410 -1.992 1.00 0.00 N ATOM 1828 CA HIS A 113 -18.365 -16.607 -3.225 1.00 0.00 C ATOM 1829 C HIS A 113 -19.588 -17.483 -2.969 1.00 0.00 C ATOM 1830 O HIS A 113 -20.671 -17.224 -3.492 1.00 0.00 O ATOM 1831 CB HIS A 113 -17.481 -17.234 -4.309 1.00 0.00 C ATOM 1832 CG HIS A 113 -16.483 -16.286 -4.910 1.00 0.00 C ATOM 1833 ND1 HIS A 113 -15.270 -15.989 -4.324 1.00 0.00 N ATOM 1834 CD2 HIS A 113 -16.525 -15.572 -6.059 1.00 0.00 C ATOM 1835 CE1 HIS A 113 -14.614 -15.136 -5.087 1.00 0.00 C ATOM 1836 NE2 HIS A 113 -15.350 -14.868 -6.147 1.00 0.00 N ATOM 0 H HIS A 113 -16.698 -16.868 -1.979 1.00 0.00 H new ATOM 0 HA HIS A 113 -18.702 -15.632 -3.576 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -16.948 -18.083 -3.882 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -18.119 -17.624 -5.102 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -17.334 -15.559 -6.775 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -13.637 -14.726 -4.878 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -15.089 -14.241 -6.908 1.00 0.00 H new ATOM 1845 N HIS A 114 -19.407 -18.517 -2.158 1.00 0.00 N ATOM 1846 CA HIS A 114 -20.508 -19.384 -1.770 1.00 0.00 C ATOM 1847 C HIS A 114 -20.704 -19.317 -0.260 1.00 0.00 C ATOM 1848 O HIS A 114 -19.843 -19.749 0.504 1.00 0.00 O ATOM 1849 CB HIS A 114 -20.237 -20.828 -2.211 1.00 0.00 C ATOM 1850 CG HIS A 114 -21.379 -21.769 -1.962 1.00 0.00 C ATOM 1851 ND1 HIS A 114 -22.392 -21.980 -2.873 1.00 0.00 N ATOM 1852 CD2 HIS A 114 -21.661 -22.562 -0.900 1.00 0.00 C ATOM 1853 CE1 HIS A 114 -23.245 -22.859 -2.384 1.00 0.00 C ATOM 1854 NE2 HIS A 114 -22.826 -23.229 -1.191 1.00 0.00 N ATOM 0 H HIS A 114 -18.506 -18.775 -1.756 1.00 0.00 H new ATOM 0 HA HIS A 114 -21.418 -19.044 -2.263 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -20.001 -20.833 -3.275 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -19.355 -21.197 -1.687 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -21.079 -22.653 0.005 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -24.137 -23.215 -2.878 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -23.291 -23.902 -0.582 1.00 0.00 H new ATOM 1863 N HIS A 115 -21.827 -18.763 0.164 1.00 0.00 N ATOM 1864 CA HIS A 115 -22.121 -18.615 1.584 1.00 0.00 C ATOM 1865 C HIS A 115 -22.759 -19.870 2.166 1.00 0.00 C ATOM 1866 O HIS A 115 -23.256 -20.731 1.437 1.00 0.00 O ATOM 1867 CB HIS A 115 -23.057 -17.428 1.815 1.00 0.00 C ATOM 1868 CG HIS A 115 -22.358 -16.142 2.118 1.00 0.00 C ATOM 1869 ND1 HIS A 115 -22.315 -15.596 3.381 1.00 0.00 N ATOM 1870 CD2 HIS A 115 -21.690 -15.283 1.317 1.00 0.00 C ATOM 1871 CE1 HIS A 115 -21.651 -14.460 3.344 1.00 0.00 C ATOM 1872 NE2 HIS A 115 -21.260 -14.238 2.101 1.00 0.00 N ATOM 0 H HIS A 115 -22.554 -18.406 -0.456 1.00 0.00 H new ATOM 0 HA HIS A 115 -21.171 -18.444 2.090 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -23.676 -17.291 0.929 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -23.729 -17.666 2.640 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -21.524 -15.396 0.256 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -21.458 -13.816 4.189 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -20.729 -13.429 1.778 1.00 0.00 H new ATOM 1881 N HIS A 116 -22.722 -19.967 3.485 1.00 0.00 N ATOM 1882 CA HIS A 116 -23.446 -20.998 4.213 1.00 0.00 C ATOM 1883 C HIS A 116 -24.313 -20.342 5.271 1.00 0.00 C ATOM 1884 O HIS A 116 -23.807 -19.599 6.114 1.00 0.00 O ATOM 1885 CB HIS A 116 -22.491 -22.001 4.865 1.00 0.00 C ATOM 1886 CG HIS A 116 -22.048 -23.091 3.946 1.00 0.00 C ATOM 1887 ND1 HIS A 116 -22.617 -24.347 3.945 1.00 0.00 N ATOM 1888 CD2 HIS A 116 -21.088 -23.117 2.993 1.00 0.00 C ATOM 1889 CE1 HIS A 116 -22.027 -25.095 3.035 1.00 0.00 C ATOM 1890 NE2 HIS A 116 -21.096 -24.373 2.442 1.00 0.00 N ATOM 0 H HIS A 116 -22.190 -19.334 4.082 1.00 0.00 H new ATOM 0 HA HIS A 116 -24.069 -21.548 3.508 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -21.614 -21.468 5.232 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -22.980 -22.445 5.732 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -20.437 -22.301 2.717 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -22.265 -26.125 2.812 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -20.482 -24.696 1.695 1.00 0.00 H new ATOM 1899 N HIS A 117 -25.611 -20.624 5.214 1.00 0.00 N ATOM 1900 CA HIS A 117 -26.600 -19.973 6.074 1.00 0.00 C ATOM 1901 C HIS A 117 -26.634 -18.476 5.805 1.00 0.00 C ATOM 1902 O HIS A 117 -27.365 -18.062 4.879 1.00 0.00 O ATOM 1903 CB HIS A 117 -26.326 -20.242 7.558 1.00 0.00 C ATOM 1904 CG HIS A 117 -26.560 -21.662 7.960 1.00 0.00 C ATOM 1905 ND1 HIS A 117 -25.548 -22.513 8.345 1.00 0.00 N ATOM 1906 CD2 HIS A 117 -27.702 -22.380 8.032 1.00 0.00 C ATOM 1907 CE1 HIS A 117 -26.060 -23.694 8.636 1.00 0.00 C ATOM 1908 NE2 HIS A 117 -27.366 -23.641 8.455 1.00 0.00 N ATOM 1909 OXT HIS A 117 -25.919 -17.724 6.497 1.00 0.00 O ATOM 0 H HIS A 117 -26.009 -21.309 4.572 1.00 0.00 H new ATOM 0 HA HIS A 117 -27.575 -20.399 5.836 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -25.294 -19.975 7.783 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -26.962 -19.593 8.160 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -28.696 -22.027 7.800 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -25.504 -24.559 8.967 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -28.018 -24.411 8.605 1.00 0.00 H new TER 1918 HIS A 117