USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 574 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 152:sc= 0.00317 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot -53:sc= -0.0652 USER MOD Single : A 14 THR OG1 : rot -35:sc= 0.533 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0.568 K(o=0.57,f=-4.5!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 1.16 K(o=1.2,f=-0.12) USER MOD Single : A 29 SER OG : rot 90:sc= -0.438 USER MOD Single : A 31 GLN : amide:sc= -0.544! C(o=-0.54!,f=-4.2!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -170:sc= -0.861 (180deg=-1.29!) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 54 SER OG : rot 180:sc= -0.0438 USER MOD Single : A 59 LYS NZ :NH3+ -172:sc= -0.0113 (180deg=-0.11) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 64 HIS : no HD1:sc= -0.022 X(o=-0.022,f=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.0082) USER MOD Single : A 66 HIS : no HE2:sc=-0.00396 X(o=-0.004,f=-0.13) USER MOD Single : A 67 HIS : no HE2:sc= 0.986 K(o=0.99,f=-6.1!) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.879 15.157 -8.312 1.00 0.00 N ATOM 2 CA MET A 1 8.414 14.949 -8.289 1.00 0.00 C ATOM 3 C MET A 1 7.793 15.447 -9.588 1.00 0.00 C ATOM 4 O MET A 1 7.295 16.568 -9.665 1.00 0.00 O ATOM 5 CB MET A 1 7.789 15.666 -7.088 1.00 0.00 C ATOM 6 CG MET A 1 6.302 15.390 -6.916 1.00 0.00 C ATOM 7 SD MET A 1 5.608 16.216 -5.472 1.00 0.00 S ATOM 8 CE MET A 1 3.899 15.683 -5.558 1.00 0.00 C ATOM 0 H1 MET A 1 10.292 14.814 -7.421 1.00 0.00 H new ATOM 0 H2 MET A 1 10.292 14.633 -9.110 1.00 0.00 H new ATOM 0 H3 MET A 1 10.084 16.171 -8.421 1.00 0.00 H new ATOM 0 HA MET A 1 8.215 13.882 -8.193 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.313 15.362 -6.182 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.940 16.740 -7.199 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.769 15.718 -7.809 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.143 14.315 -6.827 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.341 16.115 -4.727 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.461 16.014 -6.500 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.854 14.596 -5.500 1.00 0.00 H new ATOM 20 N GLU A 2 7.859 14.612 -10.614 1.00 0.00 N ATOM 21 CA GLU A 2 7.334 14.947 -11.932 1.00 0.00 C ATOM 22 C GLU A 2 6.056 14.173 -12.204 1.00 0.00 C ATOM 23 O GLU A 2 5.620 14.035 -13.347 1.00 0.00 O ATOM 24 CB GLU A 2 8.372 14.645 -13.023 1.00 0.00 C ATOM 25 CG GLU A 2 8.999 13.255 -12.930 1.00 0.00 C ATOM 26 CD GLU A 2 10.005 13.134 -11.802 1.00 0.00 C ATOM 27 OE1 GLU A 2 11.159 13.569 -11.985 1.00 0.00 O ATOM 28 OE2 GLU A 2 9.631 12.621 -10.720 1.00 0.00 O ATOM 0 H GLU A 2 8.277 13.683 -10.558 1.00 0.00 H new ATOM 0 HA GLU A 2 7.112 16.014 -11.949 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.897 14.752 -13.998 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.164 15.392 -12.971 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.211 12.516 -12.788 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.490 13.020 -13.874 1.00 0.00 H new ATOM 35 N LYS A 3 5.458 13.684 -11.136 1.00 0.00 N ATOM 36 CA LYS A 3 4.257 12.884 -11.225 1.00 0.00 C ATOM 37 C LYS A 3 3.268 13.289 -10.141 1.00 0.00 C ATOM 38 O LYS A 3 3.558 13.190 -8.949 1.00 0.00 O ATOM 39 CB LYS A 3 4.609 11.399 -11.102 1.00 0.00 C ATOM 40 CG LYS A 3 5.500 11.081 -9.913 1.00 0.00 C ATOM 41 CD LYS A 3 5.714 9.586 -9.748 1.00 0.00 C ATOM 42 CE LYS A 3 6.499 9.282 -8.484 1.00 0.00 C ATOM 43 NZ LYS A 3 6.555 7.825 -8.204 1.00 0.00 N ATOM 0 H LYS A 3 5.792 13.831 -10.184 1.00 0.00 H new ATOM 0 HA LYS A 3 3.790 13.055 -12.195 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.688 10.822 -11.020 1.00 0.00 H new ATOM 0 HB3 LYS A 3 5.108 11.076 -12.016 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.464 11.574 -10.040 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.052 11.486 -9.005 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.750 9.079 -9.711 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.247 9.194 -10.614 1.00 0.00 H new ATOM 0 HE2 LYS A 3 7.512 9.672 -8.583 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.041 9.797 -7.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.424 7.606 -7.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.727 7.548 -7.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.554 7.299 -9.101 1.00 0.00 H new ATOM 57 N LYS A 4 2.123 13.787 -10.563 1.00 0.00 N ATOM 58 CA LYS A 4 1.051 14.121 -9.639 1.00 0.00 C ATOM 59 C LYS A 4 -0.258 13.485 -10.090 1.00 0.00 C ATOM 60 O LYS A 4 -1.202 13.350 -9.318 1.00 0.00 O ATOM 61 CB LYS A 4 0.913 15.639 -9.527 1.00 0.00 C ATOM 62 CG LYS A 4 -0.093 16.090 -8.484 1.00 0.00 C ATOM 63 CD LYS A 4 -0.095 17.600 -8.350 1.00 0.00 C ATOM 64 CE LYS A 4 -1.240 18.083 -7.478 1.00 0.00 C ATOM 65 NZ LYS A 4 -1.221 19.558 -7.304 1.00 0.00 N ATOM 0 H LYS A 4 1.908 13.971 -11.543 1.00 0.00 H new ATOM 0 HA LYS A 4 1.295 13.724 -8.654 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.887 16.066 -9.287 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.620 16.040 -10.497 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.089 15.744 -8.761 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.146 15.636 -7.522 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.852 17.929 -7.923 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.173 18.053 -9.338 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.188 17.783 -7.925 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.181 17.602 -6.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.019 19.847 -6.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.327 19.843 -6.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.303 20.018 -8.233 1.00 0.00 H new ATOM 79 N PHE A 5 -0.286 13.060 -11.337 1.00 0.00 N ATOM 80 CA PHE A 5 -1.466 12.431 -11.911 1.00 0.00 C ATOM 81 C PHE A 5 -1.373 10.912 -11.785 1.00 0.00 C ATOM 82 O PHE A 5 -2.351 10.238 -11.467 1.00 0.00 O ATOM 83 CB PHE A 5 -1.598 12.837 -13.381 1.00 0.00 C ATOM 84 CG PHE A 5 -2.860 12.361 -14.046 1.00 0.00 C ATOM 85 CD1 PHE A 5 -4.030 13.094 -13.935 1.00 0.00 C ATOM 86 CD2 PHE A 5 -2.880 11.185 -14.780 1.00 0.00 C ATOM 87 CE1 PHE A 5 -5.193 12.668 -14.548 1.00 0.00 C ATOM 88 CE2 PHE A 5 -4.041 10.754 -15.395 1.00 0.00 C ATOM 89 CZ PHE A 5 -5.199 11.496 -15.276 1.00 0.00 C ATOM 0 H PHE A 5 0.502 13.138 -11.980 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.350 12.765 -11.367 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.553 13.924 -13.451 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -0.742 12.446 -13.931 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.033 14.010 -13.362 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.978 10.598 -14.873 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.097 13.252 -14.457 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.042 9.838 -15.968 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.108 11.160 -15.752 1.00 0.00 H new ATOM 99 N LEU A 6 -0.179 10.388 -12.018 1.00 0.00 N ATOM 100 CA LEU A 6 0.047 8.950 -12.008 1.00 0.00 C ATOM 101 C LEU A 6 0.656 8.502 -10.686 1.00 0.00 C ATOM 102 O LEU A 6 1.001 7.336 -10.513 1.00 0.00 O ATOM 103 CB LEU A 6 0.968 8.542 -13.164 1.00 0.00 C ATOM 104 CG LEU A 6 2.343 9.219 -13.193 1.00 0.00 C ATOM 105 CD1 LEU A 6 3.390 8.269 -13.753 1.00 0.00 C ATOM 106 CD2 LEU A 6 2.303 10.495 -14.024 1.00 0.00 C ATOM 0 H LEU A 6 0.654 10.942 -12.218 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.919 8.461 -12.131 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.116 7.463 -13.122 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.458 8.757 -14.103 1.00 0.00 H new ATOM 0 HG LEU A 6 2.611 9.481 -12.169 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.361 8.765 -13.767 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.446 7.379 -13.126 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.115 7.981 -14.768 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.290 10.957 -14.029 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.009 10.255 -15.046 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.581 11.188 -13.592 1.00 0.00 H new ATOM 118 N ASP A 7 0.783 9.431 -9.754 1.00 0.00 N ATOM 119 CA ASP A 7 1.396 9.128 -8.467 1.00 0.00 C ATOM 120 C ASP A 7 0.335 9.019 -7.380 1.00 0.00 C ATOM 121 O ASP A 7 0.567 8.431 -6.327 1.00 0.00 O ATOM 122 CB ASP A 7 2.420 10.203 -8.102 1.00 0.00 C ATOM 123 CG ASP A 7 3.224 9.854 -6.862 1.00 0.00 C ATOM 124 OD1 ASP A 7 3.867 8.782 -6.846 1.00 0.00 O ATOM 125 OD2 ASP A 7 3.217 10.649 -5.899 1.00 0.00 O ATOM 0 H ASP A 7 0.473 10.397 -9.861 1.00 0.00 H new ATOM 0 HA ASP A 7 1.907 8.169 -8.546 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.100 10.350 -8.941 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.904 11.150 -7.940 1.00 0.00 H new ATOM 130 N ILE A 8 -0.845 9.561 -7.658 1.00 0.00 N ATOM 131 CA ILE A 8 -1.942 9.574 -6.690 1.00 0.00 C ATOM 132 C ILE A 8 -2.727 8.265 -6.721 1.00 0.00 C ATOM 133 O ILE A 8 -3.959 8.262 -6.737 1.00 0.00 O ATOM 134 CB ILE A 8 -2.907 10.755 -6.945 1.00 0.00 C ATOM 135 CG1 ILE A 8 -3.349 10.786 -8.415 1.00 0.00 C ATOM 136 CG2 ILE A 8 -2.247 12.068 -6.547 1.00 0.00 C ATOM 137 CD1 ILE A 8 -4.372 11.857 -8.727 1.00 0.00 C ATOM 0 H ILE A 8 -1.070 10.000 -8.551 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.490 9.693 -5.705 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.797 10.618 -6.331 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.473 10.941 -9.044 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.764 9.813 -8.680 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.936 12.892 -6.731 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.990 12.040 -5.488 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -1.342 12.213 -7.136 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.633 11.814 -9.784 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.266 11.692 -8.126 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.955 12.837 -8.496 1.00 0.00 H new ATOM 149 N LEU A 9 -2.008 7.153 -6.726 1.00 0.00 N ATOM 150 CA LEU A 9 -2.637 5.840 -6.694 1.00 0.00 C ATOM 151 C LEU A 9 -3.263 5.603 -5.327 1.00 0.00 C ATOM 152 O LEU A 9 -2.569 5.571 -4.310 1.00 0.00 O ATOM 153 CB LEU A 9 -1.620 4.742 -7.001 1.00 0.00 C ATOM 154 CG LEU A 9 -0.870 4.899 -8.326 1.00 0.00 C ATOM 155 CD1 LEU A 9 0.162 3.793 -8.486 1.00 0.00 C ATOM 156 CD2 LEU A 9 -1.845 4.898 -9.498 1.00 0.00 C ATOM 0 H LEU A 9 -0.989 7.133 -6.752 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.414 5.809 -7.458 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.891 4.708 -6.191 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.136 3.782 -7.006 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.350 5.857 -8.316 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.687 3.919 -9.433 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.878 3.842 -7.665 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.338 2.824 -8.474 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.293 5.011 -10.431 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.395 3.957 -9.513 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.546 5.726 -9.389 1.00 0.00 H new ATOM 168 N VAL A 10 -4.576 5.446 -5.310 1.00 0.00 N ATOM 169 CA VAL A 10 -5.319 5.322 -4.064 1.00 0.00 C ATOM 170 C VAL A 10 -6.271 4.135 -4.104 1.00 0.00 C ATOM 171 O VAL A 10 -6.535 3.575 -5.171 1.00 0.00 O ATOM 172 CB VAL A 10 -6.138 6.600 -3.761 1.00 0.00 C ATOM 173 CG1 VAL A 10 -5.229 7.805 -3.557 1.00 0.00 C ATOM 174 CG2 VAL A 10 -7.141 6.875 -4.875 1.00 0.00 C ATOM 0 H VAL A 10 -5.154 5.401 -6.150 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.580 5.172 -3.277 1.00 0.00 H new ATOM 0 HB VAL A 10 -6.685 6.429 -2.834 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.835 8.686 -3.346 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.558 7.617 -2.719 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.643 7.975 -4.460 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.706 7.778 -4.641 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.610 7.013 -5.817 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -7.826 6.032 -4.965 1.00 0.00 H new ATOM 184 N CYS A 11 -6.775 3.752 -2.940 1.00 0.00 N ATOM 185 CA CYS A 11 -7.777 2.701 -2.850 1.00 0.00 C ATOM 186 C CYS A 11 -9.160 3.307 -2.617 1.00 0.00 C ATOM 187 O CYS A 11 -9.294 4.301 -1.901 1.00 0.00 O ATOM 188 CB CYS A 11 -7.428 1.735 -1.715 1.00 0.00 C ATOM 189 SG CYS A 11 -7.205 2.536 -0.107 1.00 0.00 S ATOM 0 H CYS A 11 -6.505 4.155 -2.043 1.00 0.00 H new ATOM 0 HA CYS A 11 -7.790 2.150 -3.790 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -8.218 0.989 -1.631 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -6.513 1.202 -1.974 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.343 3.503 -0.220 1.00 0.00 H new ATOM 195 N PRO A 12 -10.210 2.714 -3.206 1.00 0.00 N ATOM 196 CA PRO A 12 -11.581 3.204 -3.065 1.00 0.00 C ATOM 197 C PRO A 12 -12.231 2.763 -1.752 1.00 0.00 C ATOM 198 O PRO A 12 -13.400 3.057 -1.493 1.00 0.00 O ATOM 199 CB PRO A 12 -12.321 2.577 -4.260 1.00 0.00 C ATOM 200 CG PRO A 12 -11.297 1.797 -5.028 1.00 0.00 C ATOM 201 CD PRO A 12 -10.156 1.544 -4.087 1.00 0.00 C ATOM 0 HA PRO A 12 -11.614 4.293 -3.049 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.129 1.929 -3.920 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.772 3.347 -4.885 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.716 0.858 -5.390 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.962 2.354 -5.903 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -10.284 0.613 -3.535 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.204 1.475 -4.613 1.00 0.00 H new ATOM 209 N VAL A 13 -11.465 2.060 -0.929 1.00 0.00 N ATOM 210 CA VAL A 13 -11.971 1.546 0.336 1.00 0.00 C ATOM 211 C VAL A 13 -12.025 2.654 1.389 1.00 0.00 C ATOM 212 O VAL A 13 -13.100 3.054 1.835 1.00 0.00 O ATOM 213 CB VAL A 13 -11.102 0.380 0.859 1.00 0.00 C ATOM 214 CG1 VAL A 13 -11.694 -0.209 2.133 1.00 0.00 C ATOM 215 CG2 VAL A 13 -10.945 -0.692 -0.209 1.00 0.00 C ATOM 0 H VAL A 13 -10.488 1.832 -1.116 1.00 0.00 H new ATOM 0 HA VAL A 13 -12.979 1.174 0.154 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.113 0.773 1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.065 -1.028 2.482 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.744 0.563 2.901 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -12.697 -0.584 1.929 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.330 -1.504 0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.926 -1.079 -0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.466 -0.262 -1.089 1.00 0.00 H new ATOM 225 N THR A 14 -10.858 3.157 1.767 1.00 0.00 N ATOM 226 CA THR A 14 -10.768 4.186 2.795 1.00 0.00 C ATOM 227 C THR A 14 -10.328 5.519 2.191 1.00 0.00 C ATOM 228 O THR A 14 -10.211 6.525 2.892 1.00 0.00 O ATOM 229 CB THR A 14 -9.786 3.758 3.914 1.00 0.00 C ATOM 230 OG1 THR A 14 -9.815 4.695 4.995 1.00 0.00 O ATOM 231 CG2 THR A 14 -8.362 3.633 3.384 1.00 0.00 C ATOM 0 H THR A 14 -9.960 2.870 1.378 1.00 0.00 H new ATOM 0 HA THR A 14 -11.759 4.313 3.231 1.00 0.00 H new ATOM 0 HB THR A 14 -10.108 2.781 4.276 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.954 5.598 4.641 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.698 3.331 4.194 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.333 2.884 2.593 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.036 4.594 2.986 1.00 0.00 H new ATOM 239 N LYS A 15 -10.124 5.518 0.875 1.00 0.00 N ATOM 240 CA LYS A 15 -9.581 6.674 0.168 1.00 0.00 C ATOM 241 C LYS A 15 -8.222 7.067 0.739 1.00 0.00 C ATOM 242 O LYS A 15 -8.103 7.991 1.539 1.00 0.00 O ATOM 243 CB LYS A 15 -10.551 7.862 0.190 1.00 0.00 C ATOM 244 CG LYS A 15 -11.670 7.754 -0.836 1.00 0.00 C ATOM 245 CD LYS A 15 -11.517 8.776 -1.954 1.00 0.00 C ATOM 246 CE LYS A 15 -10.144 8.703 -2.603 1.00 0.00 C ATOM 247 NZ LYS A 15 -9.990 9.706 -3.688 1.00 0.00 N ATOM 0 H LYS A 15 -10.329 4.721 0.273 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.445 6.387 -0.875 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.988 7.945 1.185 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.992 8.780 0.010 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.677 6.750 -1.261 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.631 7.898 -0.342 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.285 8.607 -2.709 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.678 9.778 -1.555 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.376 8.865 -1.847 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.986 7.703 -3.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.041 9.624 -4.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.706 9.536 -4.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.115 10.662 -3.297 1.00 0.00 H new ATOM 261 N GLY A 16 -7.209 6.320 0.347 1.00 0.00 N ATOM 262 CA GLY A 16 -5.862 6.597 0.782 1.00 0.00 C ATOM 263 C GLY A 16 -4.861 6.090 -0.221 1.00 0.00 C ATOM 264 O GLY A 16 -5.140 5.130 -0.942 1.00 0.00 O ATOM 0 H GLY A 16 -7.298 5.515 -0.274 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.733 7.671 0.920 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.684 6.128 1.749 1.00 0.00 H new ATOM 268 N ARG A 17 -3.710 6.736 -0.280 1.00 0.00 N ATOM 269 CA ARG A 17 -2.684 6.387 -1.228 1.00 0.00 C ATOM 270 C ARG A 17 -2.049 5.044 -0.896 1.00 0.00 C ATOM 271 O ARG A 17 -1.974 4.645 0.269 1.00 0.00 O ATOM 272 CB ARG A 17 -1.634 7.484 -1.251 1.00 0.00 C ATOM 273 CG ARG A 17 -2.116 8.778 -1.887 1.00 0.00 C ATOM 274 CD ARG A 17 -1.018 9.826 -1.904 1.00 0.00 C ATOM 275 NE ARG A 17 0.199 9.323 -2.531 1.00 0.00 N ATOM 276 CZ ARG A 17 0.918 10.000 -3.420 1.00 0.00 C ATOM 277 NH1 ARG A 17 0.540 11.211 -3.816 1.00 0.00 N ATOM 278 NH2 ARG A 17 2.018 9.461 -3.919 1.00 0.00 N ATOM 0 H ARG A 17 -3.467 7.516 0.331 1.00 0.00 H new ATOM 0 HA ARG A 17 -3.138 6.293 -2.215 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.313 7.689 -0.230 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.759 7.126 -1.794 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.451 8.582 -2.906 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.976 9.158 -1.336 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.366 10.709 -2.441 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.799 10.140 -0.883 1.00 0.00 H new ATOM 0 HE ARG A 17 0.519 8.390 -2.270 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.309 11.629 -3.437 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.099 11.722 -4.499 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.310 8.530 -3.621 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.574 9.976 -4.602 1.00 0.00 H new ATOM 292 N LEU A 18 -1.596 4.357 -1.931 1.00 0.00 N ATOM 293 CA LEU A 18 -1.026 3.028 -1.785 1.00 0.00 C ATOM 294 C LEU A 18 0.470 3.052 -2.072 1.00 0.00 C ATOM 295 O LEU A 18 0.891 3.468 -3.154 1.00 0.00 O ATOM 296 CB LEU A 18 -1.707 2.055 -2.754 1.00 0.00 C ATOM 297 CG LEU A 18 -3.235 2.096 -2.763 1.00 0.00 C ATOM 298 CD1 LEU A 18 -3.781 1.144 -3.812 1.00 0.00 C ATOM 299 CD2 LEU A 18 -3.784 1.746 -1.391 1.00 0.00 C ATOM 0 H LEU A 18 -1.612 4.702 -2.891 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.188 2.699 -0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.349 2.264 -3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.390 1.042 -2.507 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.554 3.108 -3.013 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.870 1.183 -3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.412 1.435 -4.795 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.454 0.129 -3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.873 1.780 -1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.458 0.743 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.415 2.463 -0.658 1.00 0.00 H new ATOM 311 N GLU A 19 1.272 2.621 -1.110 1.00 0.00 N ATOM 312 CA GLU A 19 2.700 2.469 -1.344 1.00 0.00 C ATOM 313 C GLU A 19 3.003 1.003 -1.621 1.00 0.00 C ATOM 314 O GLU A 19 2.857 0.150 -0.742 1.00 0.00 O ATOM 315 CB GLU A 19 3.525 2.971 -0.151 1.00 0.00 C ATOM 316 CG GLU A 19 5.021 3.010 -0.436 1.00 0.00 C ATOM 317 CD GLU A 19 5.848 3.472 0.750 1.00 0.00 C ATOM 318 OE1 GLU A 19 6.234 2.620 1.575 1.00 0.00 O ATOM 319 OE2 GLU A 19 6.148 4.680 0.845 1.00 0.00 O ATOM 0 H GLU A 19 0.963 2.373 -0.170 1.00 0.00 H new ATOM 0 HA GLU A 19 2.979 3.075 -2.206 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.187 3.970 0.123 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.341 2.326 0.708 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.352 2.016 -0.736 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.206 3.675 -1.280 1.00 0.00 H new ATOM 326 N TYR A 20 3.392 0.707 -2.850 1.00 0.00 N ATOM 327 CA TYR A 20 3.653 -0.665 -3.239 1.00 0.00 C ATOM 328 C TYR A 20 5.051 -1.088 -2.807 1.00 0.00 C ATOM 329 O TYR A 20 6.042 -0.426 -3.113 1.00 0.00 O ATOM 330 CB TYR A 20 3.457 -0.858 -4.753 1.00 0.00 C ATOM 331 CG TYR A 20 4.515 -0.221 -5.632 1.00 0.00 C ATOM 332 CD1 TYR A 20 4.606 1.159 -5.770 1.00 0.00 C ATOM 333 CD2 TYR A 20 5.426 -1.010 -6.324 1.00 0.00 C ATOM 334 CE1 TYR A 20 5.572 1.733 -6.575 1.00 0.00 C ATOM 335 CE2 TYR A 20 6.392 -0.445 -7.130 1.00 0.00 C ATOM 336 CZ TYR A 20 6.463 0.925 -7.252 1.00 0.00 C ATOM 337 OH TYR A 20 7.428 1.490 -8.056 1.00 0.00 O ATOM 0 H TYR A 20 3.533 1.395 -3.590 1.00 0.00 H new ATOM 0 HA TYR A 20 2.933 -1.306 -2.730 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.428 -1.927 -4.965 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.485 -0.451 -5.031 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.911 1.793 -5.240 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.377 -2.085 -6.229 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.629 2.807 -6.674 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.090 -1.074 -7.663 1.00 0.00 H new ATOM 0 HH TYR A 20 7.974 0.783 -8.459 1.00 0.00 H new ATOM 347 N HIS A 21 5.118 -2.176 -2.060 1.00 0.00 N ATOM 348 CA HIS A 21 6.391 -2.725 -1.625 1.00 0.00 C ATOM 349 C HIS A 21 6.715 -3.947 -2.462 1.00 0.00 C ATOM 350 O HIS A 21 6.112 -5.006 -2.290 1.00 0.00 O ATOM 351 CB HIS A 21 6.361 -3.081 -0.133 1.00 0.00 C ATOM 352 CG HIS A 21 6.331 -1.884 0.774 1.00 0.00 C ATOM 353 ND1 HIS A 21 7.027 -1.811 1.962 1.00 0.00 N ATOM 354 CD2 HIS A 21 5.685 -0.701 0.654 1.00 0.00 C ATOM 355 CE1 HIS A 21 6.807 -0.640 2.526 1.00 0.00 C ATOM 356 NE2 HIS A 21 5.998 0.057 1.754 1.00 0.00 N ATOM 0 H HIS A 21 4.302 -2.699 -1.741 1.00 0.00 H new ATOM 0 HA HIS A 21 7.168 -1.973 -1.763 1.00 0.00 H new ATOM 0 HB2 HIS A 21 5.485 -3.699 0.066 1.00 0.00 H new ATOM 0 HB3 HIS A 21 7.237 -3.684 0.105 1.00 0.00 H new ATOM 0 HD2 HIS A 21 5.040 -0.407 -0.160 1.00 0.00 H new ATOM 0 HE1 HIS A 21 7.222 -0.307 3.466 1.00 0.00 H new ATOM 0 HE2 HIS A 21 5.661 1.001 1.942 1.00 0.00 H new ATOM 365 N GLN A 22 7.669 -3.791 -3.370 1.00 0.00 N ATOM 366 CA GLN A 22 7.970 -4.820 -4.358 1.00 0.00 C ATOM 367 C GLN A 22 8.623 -6.028 -3.699 1.00 0.00 C ATOM 368 O GLN A 22 8.667 -7.111 -4.278 1.00 0.00 O ATOM 369 CB GLN A 22 8.869 -4.248 -5.457 1.00 0.00 C ATOM 370 CG GLN A 22 8.959 -5.126 -6.694 1.00 0.00 C ATOM 371 CD GLN A 22 9.775 -4.490 -7.798 1.00 0.00 C ATOM 372 OE1 GLN A 22 10.985 -4.693 -7.893 1.00 0.00 O ATOM 373 NE2 GLN A 22 9.116 -3.708 -8.638 1.00 0.00 N ATOM 0 H GLN A 22 8.251 -2.957 -3.443 1.00 0.00 H new ATOM 0 HA GLN A 22 7.035 -5.151 -4.811 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.494 -3.266 -5.746 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.871 -4.100 -5.054 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.403 -6.084 -6.424 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.954 -5.333 -7.062 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.112 -3.567 -8.523 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.612 -3.246 -9.401 1.00 0.00 H new ATOM 382 N ASP A 23 9.099 -5.836 -2.475 1.00 0.00 N ATOM 383 CA ASP A 23 9.684 -6.915 -1.689 1.00 0.00 C ATOM 384 C ASP A 23 8.671 -8.034 -1.497 1.00 0.00 C ATOM 385 O ASP A 23 9.006 -9.213 -1.574 1.00 0.00 O ATOM 386 CB ASP A 23 10.124 -6.402 -0.316 1.00 0.00 C ATOM 387 CG ASP A 23 11.010 -5.179 -0.400 1.00 0.00 C ATOM 388 OD1 ASP A 23 10.469 -4.064 -0.564 1.00 0.00 O ATOM 389 OD2 ASP A 23 12.246 -5.323 -0.296 1.00 0.00 O ATOM 0 H ASP A 23 9.091 -4.933 -2.001 1.00 0.00 H new ATOM 0 HA ASP A 23 10.552 -7.294 -2.228 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.241 -6.165 0.277 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.657 -7.195 0.209 1.00 0.00 H new ATOM 394 N LYS A 24 7.426 -7.646 -1.253 1.00 0.00 N ATOM 395 CA LYS A 24 6.350 -8.596 -1.000 1.00 0.00 C ATOM 396 C LYS A 24 5.314 -8.575 -2.121 1.00 0.00 C ATOM 397 O LYS A 24 4.338 -9.327 -2.084 1.00 0.00 O ATOM 398 CB LYS A 24 5.680 -8.252 0.330 1.00 0.00 C ATOM 399 CG LYS A 24 6.551 -8.509 1.546 1.00 0.00 C ATOM 400 CD LYS A 24 6.483 -9.965 1.969 1.00 0.00 C ATOM 401 CE LYS A 24 7.277 -10.218 3.239 1.00 0.00 C ATOM 402 NZ LYS A 24 6.998 -11.564 3.804 1.00 0.00 N ATOM 0 H LYS A 24 7.134 -6.669 -1.225 1.00 0.00 H new ATOM 0 HA LYS A 24 6.776 -9.598 -0.958 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.392 -7.201 0.318 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.763 -8.833 0.424 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.583 -8.240 1.321 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.228 -7.872 2.370 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.443 -10.250 2.127 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.868 -10.595 1.167 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.342 -10.126 3.026 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.033 -9.455 3.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.558 -11.700 4.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.986 -11.643 4.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.255 -12.293 3.108 1.00 0.00 H new ATOM 416 N GLN A 25 5.560 -7.734 -3.132 1.00 0.00 N ATOM 417 CA GLN A 25 4.604 -7.488 -4.205 1.00 0.00 C ATOM 418 C GLN A 25 3.238 -7.080 -3.647 1.00 0.00 C ATOM 419 O GLN A 25 2.197 -7.483 -4.170 1.00 0.00 O ATOM 420 CB GLN A 25 4.466 -8.722 -5.100 1.00 0.00 C ATOM 421 CG GLN A 25 5.756 -9.133 -5.802 1.00 0.00 C ATOM 422 CD GLN A 25 6.600 -10.107 -4.998 1.00 0.00 C ATOM 423 OE1 GLN A 25 6.388 -11.319 -5.050 1.00 0.00 O ATOM 424 NE2 GLN A 25 7.599 -9.599 -4.298 1.00 0.00 N ATOM 0 H GLN A 25 6.429 -7.207 -3.225 1.00 0.00 H new ATOM 0 HA GLN A 25 4.985 -6.662 -4.806 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.112 -9.557 -4.496 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.702 -8.527 -5.853 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.509 -9.585 -6.762 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.346 -8.241 -6.012 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.746 -8.590 -4.277 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.223 -10.216 -3.779 1.00 0.00 H new ATOM 433 N GLU A 26 3.246 -6.258 -2.601 1.00 0.00 N ATOM 434 CA GLU A 26 2.015 -5.879 -1.928 1.00 0.00 C ATOM 435 C GLU A 26 1.778 -4.372 -1.966 1.00 0.00 C ATOM 436 O GLU A 26 2.719 -3.578 -1.908 1.00 0.00 O ATOM 437 CB GLU A 26 2.058 -6.327 -0.470 1.00 0.00 C ATOM 438 CG GLU A 26 2.170 -7.828 -0.285 1.00 0.00 C ATOM 439 CD GLU A 26 2.254 -8.225 1.173 1.00 0.00 C ATOM 440 OE1 GLU A 26 3.032 -7.596 1.925 1.00 0.00 O ATOM 441 OE2 GLU A 26 1.557 -9.183 1.566 1.00 0.00 O ATOM 0 H GLU A 26 4.090 -5.845 -2.205 1.00 0.00 H new ATOM 0 HA GLU A 26 1.199 -6.370 -2.458 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.905 -5.847 0.021 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.157 -5.976 0.033 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.307 -8.313 -0.742 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.054 -8.191 -0.809 1.00 0.00 H new ATOM 448 N LEU A 27 0.513 -3.996 -2.063 1.00 0.00 N ATOM 449 CA LEU A 27 0.099 -2.619 -1.864 1.00 0.00 C ATOM 450 C LEU A 27 -0.141 -2.407 -0.380 1.00 0.00 C ATOM 451 O LEU A 27 -1.087 -2.962 0.178 1.00 0.00 O ATOM 452 CB LEU A 27 -1.187 -2.314 -2.639 1.00 0.00 C ATOM 453 CG LEU A 27 -1.089 -2.438 -4.157 1.00 0.00 C ATOM 454 CD1 LEU A 27 -2.455 -2.225 -4.791 1.00 0.00 C ATOM 455 CD2 LEU A 27 -0.089 -1.437 -4.709 1.00 0.00 C ATOM 0 H LEU A 27 -0.252 -4.635 -2.281 1.00 0.00 H new ATOM 0 HA LEU A 27 0.879 -1.951 -2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.970 -2.986 -2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.505 -1.300 -2.395 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.742 -3.442 -4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.372 -2.316 -5.874 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.151 -2.975 -4.416 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.823 -1.231 -4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.032 -1.540 -5.793 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.409 -0.426 -4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.893 -1.626 -4.275 1.00 0.00 H new ATOM 467 N TRP A 28 0.702 -1.618 0.260 1.00 0.00 N ATOM 468 CA TRP A 28 0.638 -1.475 1.704 1.00 0.00 C ATOM 469 C TRP A 28 -0.234 -0.298 2.100 1.00 0.00 C ATOM 470 O TRP A 28 0.095 0.859 1.838 1.00 0.00 O ATOM 471 CB TRP A 28 2.043 -1.329 2.293 1.00 0.00 C ATOM 472 CG TRP A 28 2.694 -2.645 2.602 1.00 0.00 C ATOM 473 CD1 TRP A 28 2.612 -3.795 1.873 1.00 0.00 C ATOM 474 CD2 TRP A 28 3.528 -2.942 3.726 1.00 0.00 C ATOM 475 NE1 TRP A 28 3.333 -4.793 2.483 1.00 0.00 N ATOM 476 CE2 TRP A 28 3.907 -4.294 3.620 1.00 0.00 C ATOM 477 CE3 TRP A 28 3.986 -2.198 4.815 1.00 0.00 C ATOM 478 CZ2 TRP A 28 4.723 -4.914 4.560 1.00 0.00 C ATOM 479 CZ3 TRP A 28 4.798 -2.814 5.747 1.00 0.00 C ATOM 480 CH2 TRP A 28 5.158 -4.161 5.615 1.00 0.00 C ATOM 0 H TRP A 28 1.434 -1.070 -0.192 1.00 0.00 H new ATOM 0 HA TRP A 28 0.185 -2.379 2.111 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.669 -0.777 1.591 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.988 -0.735 3.205 1.00 0.00 H new ATOM 0 HD1 TRP A 28 2.061 -3.905 0.951 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.425 -5.750 2.143 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.710 -1.160 4.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 5.003 -5.952 4.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.161 -2.248 6.592 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.792 -4.614 6.362 1.00 0.00 H new ATOM 491 N SER A 29 -1.362 -0.617 2.714 1.00 0.00 N ATOM 492 CA SER A 29 -2.293 0.385 3.190 1.00 0.00 C ATOM 493 C SER A 29 -2.397 0.307 4.703 1.00 0.00 C ATOM 494 O SER A 29 -3.231 -0.424 5.244 1.00 0.00 O ATOM 495 CB SER A 29 -3.665 0.169 2.557 1.00 0.00 C ATOM 496 OG SER A 29 -3.555 0.056 1.153 1.00 0.00 O ATOM 0 H SER A 29 -1.655 -1.577 2.895 1.00 0.00 H new ATOM 0 HA SER A 29 -1.930 1.373 2.907 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.121 -0.733 2.965 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.323 1.001 2.809 1.00 0.00 H new ATOM 0 HG SER A 29 -3.422 -0.884 0.910 1.00 0.00 H new ATOM 502 N ARG A 30 -1.535 1.045 5.383 1.00 0.00 N ATOM 503 CA ARG A 30 -1.485 1.012 6.837 1.00 0.00 C ATOM 504 C ARG A 30 -2.770 1.595 7.418 1.00 0.00 C ATOM 505 O ARG A 30 -3.184 1.237 8.519 1.00 0.00 O ATOM 506 CB ARG A 30 -0.258 1.783 7.340 1.00 0.00 C ATOM 507 CG ARG A 30 0.426 1.143 8.543 1.00 0.00 C ATOM 508 CD ARG A 30 0.171 1.906 9.836 1.00 0.00 C ATOM 509 NE ARG A 30 -1.238 1.912 10.205 1.00 0.00 N ATOM 510 CZ ARG A 30 -1.692 2.174 11.426 1.00 0.00 C ATOM 511 NH1 ARG A 30 -0.846 2.400 12.422 1.00 0.00 N ATOM 512 NH2 ARG A 30 -2.999 2.195 11.648 1.00 0.00 N ATOM 0 H ARG A 30 -0.859 1.675 4.952 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.398 -0.023 7.168 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.463 1.868 6.527 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.561 2.796 7.604 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.072 0.118 8.655 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.500 1.092 8.361 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.753 1.457 10.641 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.520 2.933 9.724 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.922 1.701 9.478 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.160 2.373 12.253 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.201 2.601 13.357 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.649 2.011 10.884 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.354 2.395 12.583 1.00 0.00 H new ATOM 526 N GLN A 31 -3.402 2.478 6.653 1.00 0.00 N ATOM 527 CA GLN A 31 -4.653 3.099 7.045 1.00 0.00 C ATOM 528 C GLN A 31 -5.737 2.046 7.264 1.00 0.00 C ATOM 529 O GLN A 31 -6.529 2.138 8.201 1.00 0.00 O ATOM 530 CB GLN A 31 -5.099 4.090 5.970 1.00 0.00 C ATOM 531 CG GLN A 31 -4.027 5.095 5.557 1.00 0.00 C ATOM 532 CD GLN A 31 -3.134 4.583 4.436 1.00 0.00 C ATOM 533 OE1 GLN A 31 -2.122 3.927 4.677 1.00 0.00 O ATOM 534 NE2 GLN A 31 -3.503 4.889 3.201 1.00 0.00 N ATOM 0 H GLN A 31 -3.057 2.781 5.742 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.495 3.630 7.984 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.417 3.533 5.089 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.970 4.635 6.334 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.507 6.020 5.238 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.411 5.338 6.423 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.350 5.435 3.042 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.941 4.578 2.409 1.00 0.00 H new ATOM 543 N ALA A 32 -5.754 1.034 6.402 1.00 0.00 N ATOM 544 CA ALA A 32 -6.733 -0.041 6.506 1.00 0.00 C ATOM 545 C ALA A 32 -6.133 -1.233 7.238 1.00 0.00 C ATOM 546 O ALA A 32 -6.826 -2.206 7.534 1.00 0.00 O ATOM 547 CB ALA A 32 -7.217 -0.455 5.121 1.00 0.00 C ATOM 0 H ALA A 32 -5.101 0.936 5.624 1.00 0.00 H new ATOM 0 HA ALA A 32 -7.588 0.322 7.076 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.947 -1.258 5.216 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.680 0.399 4.627 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.371 -0.802 4.529 1.00 0.00 H new ATOM 553 N LYS A 33 -4.836 -1.127 7.530 1.00 0.00 N ATOM 554 CA LYS A 33 -4.070 -2.178 8.202 1.00 0.00 C ATOM 555 C LYS A 33 -3.922 -3.402 7.309 1.00 0.00 C ATOM 556 O LYS A 33 -3.694 -4.509 7.797 1.00 0.00 O ATOM 557 CB LYS A 33 -4.720 -2.594 9.530 1.00 0.00 C ATOM 558 CG LYS A 33 -5.049 -1.439 10.460 1.00 0.00 C ATOM 559 CD LYS A 33 -5.580 -1.940 11.793 1.00 0.00 C ATOM 560 CE LYS A 33 -6.758 -2.896 11.620 1.00 0.00 C ATOM 561 NZ LYS A 33 -7.925 -2.248 10.961 1.00 0.00 N ATOM 0 H LYS A 33 -4.282 -0.301 7.304 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.084 -1.764 8.412 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.637 -3.143 9.315 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.051 -3.281 10.048 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.156 -0.836 10.625 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.789 -0.791 9.991 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.780 -2.445 12.334 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.890 -1.090 12.402 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.441 -3.755 11.028 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.060 -3.276 12.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.698 -2.938 10.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.247 -1.444 11.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.647 -1.909 10.018 1.00 0.00 H new ATOM 575 N LEU A 34 -4.014 -3.200 6.005 1.00 0.00 N ATOM 576 CA LEU A 34 -3.989 -4.317 5.074 1.00 0.00 C ATOM 577 C LEU A 34 -2.882 -4.164 4.044 1.00 0.00 C ATOM 578 O LEU A 34 -2.223 -3.124 3.954 1.00 0.00 O ATOM 579 CB LEU A 34 -5.331 -4.444 4.345 1.00 0.00 C ATOM 580 CG LEU A 34 -6.564 -4.584 5.241 1.00 0.00 C ATOM 581 CD1 LEU A 34 -7.833 -4.531 4.403 1.00 0.00 C ATOM 582 CD2 LEU A 34 -6.510 -5.881 6.030 1.00 0.00 C ATOM 0 H LEU A 34 -4.106 -2.282 5.570 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.801 -5.216 5.661 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.463 -3.567 3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.284 -5.310 3.685 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.572 -3.753 5.946 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.702 -4.632 5.053 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.882 -3.578 3.877 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.825 -5.345 3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.396 -5.961 6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.478 -6.725 5.341 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.617 -5.889 6.656 1.00 0.00 H new ATOM 594 N ALA A 35 -2.711 -5.213 3.264 1.00 0.00 N ATOM 595 CA ALA A 35 -1.762 -5.237 2.169 1.00 0.00 C ATOM 596 C ALA A 35 -2.346 -6.042 1.019 1.00 0.00 C ATOM 597 O ALA A 35 -2.686 -7.213 1.187 1.00 0.00 O ATOM 598 CB ALA A 35 -0.435 -5.828 2.618 1.00 0.00 C ATOM 0 H ALA A 35 -3.233 -6.082 3.374 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.574 -4.216 1.836 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.262 -5.836 1.780 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.023 -5.224 3.427 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.591 -6.848 2.970 1.00 0.00 H new ATOM 604 N TYR A 36 -2.483 -5.414 -0.137 1.00 0.00 N ATOM 605 CA TYR A 36 -3.108 -6.070 -1.277 1.00 0.00 C ATOM 606 C TYR A 36 -2.054 -6.736 -2.153 1.00 0.00 C ATOM 607 O TYR A 36 -0.978 -6.182 -2.357 1.00 0.00 O ATOM 608 CB TYR A 36 -3.894 -5.048 -2.103 1.00 0.00 C ATOM 609 CG TYR A 36 -4.866 -4.223 -1.289 1.00 0.00 C ATOM 610 CD1 TYR A 36 -6.092 -4.744 -0.900 1.00 0.00 C ATOM 611 CD2 TYR A 36 -4.557 -2.922 -0.910 1.00 0.00 C ATOM 612 CE1 TYR A 36 -6.982 -3.997 -0.155 1.00 0.00 C ATOM 613 CE2 TYR A 36 -5.441 -2.167 -0.164 1.00 0.00 C ATOM 614 CZ TYR A 36 -6.652 -2.709 0.210 1.00 0.00 C ATOM 615 OH TYR A 36 -7.536 -1.962 0.957 1.00 0.00 O ATOM 0 H TYR A 36 -2.173 -4.458 -0.312 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.790 -6.834 -0.905 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.191 -4.379 -2.600 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -4.443 -5.572 -2.885 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.354 -5.752 -1.185 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.610 -2.494 -1.204 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -7.931 -4.419 0.140 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.185 -1.158 0.124 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.152 -1.077 1.131 1.00 0.00 H new ATOM 625 N PRO A 37 -2.355 -7.920 -2.702 1.00 0.00 N ATOM 626 CA PRO A 37 -1.418 -8.652 -3.550 1.00 0.00 C ATOM 627 C PRO A 37 -1.414 -8.169 -5.001 1.00 0.00 C ATOM 628 O PRO A 37 -2.468 -7.942 -5.604 1.00 0.00 O ATOM 629 CB PRO A 37 -1.928 -10.088 -3.462 1.00 0.00 C ATOM 630 CG PRO A 37 -3.397 -9.965 -3.226 1.00 0.00 C ATOM 631 CD PRO A 37 -3.618 -8.655 -2.510 1.00 0.00 C ATOM 0 HA PRO A 37 -0.387 -8.521 -3.221 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.721 -10.637 -4.381 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.442 -10.630 -2.650 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.943 -9.986 -4.169 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.763 -10.799 -2.627 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.464 -8.110 -2.929 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.832 -8.810 -1.452 1.00 0.00 H new ATOM 639 N ILE A 38 -0.222 -8.001 -5.553 1.00 0.00 N ATOM 640 CA ILE A 38 -0.073 -7.631 -6.951 1.00 0.00 C ATOM 641 C ILE A 38 0.479 -8.806 -7.746 1.00 0.00 C ATOM 642 O ILE A 38 1.552 -9.321 -7.438 1.00 0.00 O ATOM 643 CB ILE A 38 0.872 -6.420 -7.120 1.00 0.00 C ATOM 644 CG1 ILE A 38 0.321 -5.200 -6.385 1.00 0.00 C ATOM 645 CG2 ILE A 38 1.089 -6.097 -8.594 1.00 0.00 C ATOM 646 CD1 ILE A 38 -1.062 -4.807 -6.834 1.00 0.00 C ATOM 0 H ILE A 38 0.659 -8.116 -5.052 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.059 -7.356 -7.325 1.00 0.00 H new ATOM 0 HB ILE A 38 1.835 -6.684 -6.683 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.303 -5.407 -5.315 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.997 -4.358 -6.535 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.758 -5.241 -8.684 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.533 -6.958 -9.094 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.132 -5.861 -9.059 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.393 -3.934 -6.272 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.045 -4.569 -7.898 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.750 -5.634 -6.658 1.00 0.00 H new ATOM 658 N LYS A 39 -0.243 -9.219 -8.778 1.00 0.00 N ATOM 659 CA LYS A 39 0.196 -10.332 -9.599 1.00 0.00 C ATOM 660 C LYS A 39 0.880 -9.821 -10.863 1.00 0.00 C ATOM 661 O LYS A 39 0.284 -9.792 -11.940 1.00 0.00 O ATOM 662 CB LYS A 39 -0.984 -11.246 -9.941 1.00 0.00 C ATOM 663 CG LYS A 39 -0.575 -12.579 -10.550 1.00 0.00 C ATOM 664 CD LYS A 39 -1.764 -13.518 -10.671 1.00 0.00 C ATOM 665 CE LYS A 39 -1.357 -14.874 -11.231 1.00 0.00 C ATOM 666 NZ LYS A 39 -2.502 -15.824 -11.271 1.00 0.00 N ATOM 0 H LYS A 39 -1.129 -8.802 -9.063 1.00 0.00 H new ATOM 0 HA LYS A 39 0.921 -10.918 -9.035 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.560 -11.433 -9.035 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.643 -10.727 -10.637 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.138 -12.413 -11.535 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.196 -13.042 -9.934 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.223 -13.652 -9.691 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.518 -13.069 -11.318 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.956 -14.746 -12.236 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.558 -15.294 -10.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.184 -16.735 -11.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.869 -15.966 -10.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.255 -15.435 -11.874 1.00 0.00 H new ATOM 680 N ASP A 40 2.118 -9.361 -10.692 1.00 0.00 N ATOM 681 CA ASP A 40 2.963 -8.905 -11.802 1.00 0.00 C ATOM 682 C ASP A 40 2.266 -7.820 -12.634 1.00 0.00 C ATOM 683 O ASP A 40 2.305 -7.828 -13.865 1.00 0.00 O ATOM 684 CB ASP A 40 3.363 -10.102 -12.676 1.00 0.00 C ATOM 685 CG ASP A 40 4.431 -9.766 -13.700 1.00 0.00 C ATOM 686 OD1 ASP A 40 5.275 -8.886 -13.429 1.00 0.00 O ATOM 687 OD2 ASP A 40 4.438 -10.397 -14.781 1.00 0.00 O ATOM 0 H ASP A 40 2.567 -9.293 -9.779 1.00 0.00 H new ATOM 0 HA ASP A 40 3.865 -8.456 -11.386 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.724 -10.907 -12.035 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.480 -10.478 -13.192 1.00 0.00 H new ATOM 692 N GLY A 41 1.625 -6.881 -11.950 1.00 0.00 N ATOM 693 CA GLY A 41 0.987 -5.767 -12.631 1.00 0.00 C ATOM 694 C GLY A 41 -0.525 -5.860 -12.609 1.00 0.00 C ATOM 695 O GLY A 41 -1.218 -4.950 -13.062 1.00 0.00 O ATOM 0 H GLY A 41 1.535 -6.870 -10.934 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.297 -4.833 -12.162 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.330 -5.733 -13.665 1.00 0.00 H new ATOM 699 N ILE A 42 -1.033 -6.959 -12.076 1.00 0.00 N ATOM 700 CA ILE A 42 -2.468 -7.183 -11.984 1.00 0.00 C ATOM 701 C ILE A 42 -2.918 -7.111 -10.527 1.00 0.00 C ATOM 702 O ILE A 42 -2.852 -8.105 -9.798 1.00 0.00 O ATOM 703 CB ILE A 42 -2.887 -8.537 -12.599 1.00 0.00 C ATOM 704 CG1 ILE A 42 -2.410 -8.642 -14.056 1.00 0.00 C ATOM 705 CG2 ILE A 42 -4.401 -8.705 -12.527 1.00 0.00 C ATOM 706 CD1 ILE A 42 -3.004 -7.589 -14.972 1.00 0.00 C ATOM 0 H ILE A 42 -0.467 -7.718 -11.697 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.957 -6.396 -12.558 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.417 -9.335 -12.024 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.323 -8.560 -14.080 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.663 -9.630 -14.441 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.682 -9.663 -12.964 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.722 -8.673 -11.486 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.883 -7.899 -13.080 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.620 -7.728 -15.983 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.090 -7.684 -14.980 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.729 -6.597 -14.613 1.00 0.00 H new ATOM 718 N PRO A 43 -3.286 -5.912 -10.061 1.00 0.00 N ATOM 719 CA PRO A 43 -3.682 -5.689 -8.671 1.00 0.00 C ATOM 720 C PRO A 43 -4.934 -6.470 -8.285 1.00 0.00 C ATOM 721 O PRO A 43 -6.027 -6.202 -8.789 1.00 0.00 O ATOM 722 CB PRO A 43 -3.962 -4.182 -8.605 1.00 0.00 C ATOM 723 CG PRO A 43 -3.292 -3.608 -9.804 1.00 0.00 C ATOM 724 CD PRO A 43 -3.361 -4.675 -10.853 1.00 0.00 C ATOM 0 HA PRO A 43 -2.909 -6.024 -7.980 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.033 -3.979 -8.618 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -3.566 -3.748 -7.687 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.794 -2.699 -10.136 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.258 -3.340 -9.585 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -4.285 -4.618 -11.428 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.538 -4.598 -11.563 1.00 0.00 H new ATOM 732 N TYR A 44 -4.772 -7.445 -7.403 1.00 0.00 N ATOM 733 CA TYR A 44 -5.908 -8.157 -6.850 1.00 0.00 C ATOM 734 C TYR A 44 -6.204 -7.626 -5.461 1.00 0.00 C ATOM 735 O TYR A 44 -5.969 -8.296 -4.460 1.00 0.00 O ATOM 736 CB TYR A 44 -5.661 -9.669 -6.803 1.00 0.00 C ATOM 737 CG TYR A 44 -5.716 -10.341 -8.156 1.00 0.00 C ATOM 738 CD1 TYR A 44 -6.934 -10.587 -8.779 1.00 0.00 C ATOM 739 CD2 TYR A 44 -4.556 -10.732 -8.805 1.00 0.00 C ATOM 740 CE1 TYR A 44 -6.993 -11.210 -10.010 1.00 0.00 C ATOM 741 CE2 TYR A 44 -4.605 -11.354 -10.038 1.00 0.00 C ATOM 742 CZ TYR A 44 -5.827 -11.589 -10.638 1.00 0.00 C ATOM 743 OH TYR A 44 -5.880 -12.209 -11.864 1.00 0.00 O ATOM 0 H TYR A 44 -3.865 -7.759 -7.057 1.00 0.00 H new ATOM 0 HA TYR A 44 -6.768 -7.990 -7.499 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.684 -9.854 -6.356 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.403 -10.128 -6.150 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.850 -10.286 -8.292 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.599 -10.548 -8.340 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.948 -11.399 -10.478 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.692 -11.655 -10.530 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.970 -12.409 -12.169 1.00 0.00 H new ATOM 753 N MET A 45 -6.707 -6.404 -5.408 1.00 0.00 N ATOM 754 CA MET A 45 -6.969 -5.734 -4.142 1.00 0.00 C ATOM 755 C MET A 45 -8.301 -6.197 -3.565 1.00 0.00 C ATOM 756 O MET A 45 -9.147 -5.396 -3.165 1.00 0.00 O ATOM 757 CB MET A 45 -6.943 -4.211 -4.321 1.00 0.00 C ATOM 758 CG MET A 45 -7.974 -3.668 -5.298 1.00 0.00 C ATOM 759 SD MET A 45 -7.887 -1.873 -5.449 1.00 0.00 S ATOM 760 CE MET A 45 -8.067 -1.395 -3.735 1.00 0.00 C ATOM 0 H MET A 45 -6.944 -5.851 -6.232 1.00 0.00 H new ATOM 0 HA MET A 45 -6.182 -6.000 -3.436 1.00 0.00 H new ATOM 0 HB2 MET A 45 -7.101 -3.742 -3.350 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.950 -3.916 -4.660 1.00 0.00 H new ATOM 0 HG2 MET A 45 -7.819 -4.122 -6.277 1.00 0.00 H new ATOM 0 HG3 MET A 45 -8.972 -3.956 -4.968 1.00 0.00 H new ATOM 0 HE1 MET A 45 -8.212 -0.317 -3.671 1.00 0.00 H new ATOM 0 HE2 MET A 45 -8.929 -1.904 -3.304 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.169 -1.673 -3.183 1.00 0.00 H new ATOM 770 N LEU A 46 -8.459 -7.508 -3.502 1.00 0.00 N ATOM 771 CA LEU A 46 -9.694 -8.115 -3.067 1.00 0.00 C ATOM 772 C LEU A 46 -9.740 -8.196 -1.553 1.00 0.00 C ATOM 773 O LEU A 46 -8.758 -8.567 -0.911 1.00 0.00 O ATOM 774 CB LEU A 46 -9.829 -9.505 -3.686 1.00 0.00 C ATOM 775 CG LEU A 46 -9.861 -9.522 -5.216 1.00 0.00 C ATOM 776 CD1 LEU A 46 -9.974 -10.942 -5.734 1.00 0.00 C ATOM 777 CD2 LEU A 46 -11.012 -8.676 -5.729 1.00 0.00 C ATOM 0 H LEU A 46 -7.731 -8.177 -3.752 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.530 -7.499 -3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.997 -10.122 -3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.742 -9.968 -3.312 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.927 -9.098 -5.584 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.995 -10.931 -6.824 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.117 -11.523 -5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.891 -11.395 -5.358 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.022 -8.698 -6.819 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.953 -9.074 -5.350 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.888 -7.648 -5.388 1.00 0.00 H new ATOM 789 N GLU A 47 -10.890 -7.846 -0.999 1.00 0.00 N ATOM 790 CA GLU A 47 -11.092 -7.813 0.443 1.00 0.00 C ATOM 791 C GLU A 47 -10.834 -9.179 1.075 1.00 0.00 C ATOM 792 O GLU A 47 -10.413 -9.274 2.228 1.00 0.00 O ATOM 793 CB GLU A 47 -12.520 -7.358 0.745 1.00 0.00 C ATOM 794 CG GLU A 47 -12.818 -5.946 0.274 1.00 0.00 C ATOM 795 CD GLU A 47 -14.273 -5.555 0.448 1.00 0.00 C ATOM 796 OE1 GLU A 47 -15.098 -5.906 -0.425 1.00 0.00 O ATOM 797 OE2 GLU A 47 -14.601 -4.894 1.453 1.00 0.00 O ATOM 0 H GLU A 47 -11.713 -7.576 -1.538 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.380 -7.109 0.873 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.220 -8.046 0.271 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.692 -7.418 1.820 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.191 -5.246 0.826 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.547 -5.856 -0.778 1.00 0.00 H new ATOM 804 N ASN A 48 -11.093 -10.226 0.311 1.00 0.00 N ATOM 805 CA ASN A 48 -10.912 -11.596 0.782 1.00 0.00 C ATOM 806 C ASN A 48 -9.441 -12.000 0.831 1.00 0.00 C ATOM 807 O ASN A 48 -9.009 -12.693 1.750 1.00 0.00 O ATOM 808 CB ASN A 48 -11.672 -12.567 -0.122 1.00 0.00 C ATOM 809 CG ASN A 48 -11.646 -13.992 0.395 1.00 0.00 C ATOM 810 OD1 ASN A 48 -11.671 -14.228 1.606 1.00 0.00 O ATOM 811 ND2 ASN A 48 -11.581 -14.948 -0.516 1.00 0.00 N ATOM 0 H ASN A 48 -11.433 -10.156 -0.648 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.307 -11.640 1.797 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -12.707 -12.237 -0.213 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.239 -12.540 -1.122 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.549 -15.926 -0.228 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.562 -14.708 -1.507 1.00 0.00 H new ATOM 818 N GLU A 49 -8.679 -11.564 -0.153 1.00 0.00 N ATOM 819 CA GLU A 49 -7.294 -12.004 -0.285 1.00 0.00 C ATOM 820 C GLU A 49 -6.319 -11.028 0.366 1.00 0.00 C ATOM 821 O GLU A 49 -5.199 -11.406 0.711 1.00 0.00 O ATOM 822 CB GLU A 49 -6.933 -12.222 -1.755 1.00 0.00 C ATOM 823 CG GLU A 49 -7.747 -13.330 -2.409 1.00 0.00 C ATOM 824 CD GLU A 49 -7.173 -13.791 -3.732 1.00 0.00 C ATOM 825 OE1 GLU A 49 -6.313 -14.702 -3.726 1.00 0.00 O ATOM 826 OE2 GLU A 49 -7.591 -13.266 -4.785 1.00 0.00 O ATOM 0 H GLU A 49 -8.988 -10.909 -0.871 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.206 -12.954 0.243 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.088 -11.293 -2.303 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.873 -12.464 -1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.804 -14.180 -1.729 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.767 -12.979 -2.566 1.00 0.00 H new ATOM 833 N ALA A 50 -6.735 -9.777 0.520 1.00 0.00 N ATOM 834 CA ALA A 50 -5.923 -8.787 1.224 1.00 0.00 C ATOM 835 C ALA A 50 -5.661 -9.225 2.662 1.00 0.00 C ATOM 836 O ALA A 50 -6.597 -9.497 3.418 1.00 0.00 O ATOM 837 CB ALA A 50 -6.606 -7.429 1.209 1.00 0.00 C ATOM 0 H ALA A 50 -7.625 -9.423 0.170 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.967 -8.705 0.707 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.987 -6.704 1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.746 -7.103 0.178 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.576 -7.504 1.700 1.00 0.00 H new ATOM 843 N ARG A 51 -4.392 -9.293 3.032 1.00 0.00 N ATOM 844 CA ARG A 51 -4.007 -9.719 4.365 1.00 0.00 C ATOM 845 C ARG A 51 -3.680 -8.522 5.248 1.00 0.00 C ATOM 846 O ARG A 51 -3.162 -7.516 4.768 1.00 0.00 O ATOM 847 CB ARG A 51 -2.804 -10.655 4.291 1.00 0.00 C ATOM 848 CG ARG A 51 -3.125 -12.017 3.704 1.00 0.00 C ATOM 849 CD ARG A 51 -4.245 -12.695 4.476 1.00 0.00 C ATOM 850 NE ARG A 51 -4.498 -14.051 4.000 1.00 0.00 N ATOM 851 CZ ARG A 51 -5.683 -14.655 4.053 1.00 0.00 C ATOM 852 NH1 ARG A 51 -6.725 -14.039 4.598 1.00 0.00 N ATOM 853 NH2 ARG A 51 -5.813 -15.889 3.595 1.00 0.00 N ATOM 0 H ARG A 51 -3.609 -9.057 2.423 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.849 -10.251 4.807 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.026 -10.185 3.690 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.396 -10.788 5.293 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.414 -11.907 2.659 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.234 -12.644 3.724 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.988 -12.725 5.535 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.156 -12.104 4.386 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.716 -14.570 3.601 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.620 -13.099 4.979 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.631 -14.506 4.636 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.007 -16.375 3.203 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.720 -16.355 3.634 1.00 0.00 H new ATOM 867 N PRO A 52 -3.995 -8.609 6.549 1.00 0.00 N ATOM 868 CA PRO A 52 -3.698 -7.549 7.507 1.00 0.00 C ATOM 869 C PRO A 52 -2.241 -7.569 7.957 1.00 0.00 C ATOM 870 O PRO A 52 -1.563 -8.598 7.876 1.00 0.00 O ATOM 871 CB PRO A 52 -4.625 -7.854 8.697 1.00 0.00 C ATOM 872 CG PRO A 52 -5.438 -9.045 8.297 1.00 0.00 C ATOM 873 CD PRO A 52 -4.685 -9.726 7.194 1.00 0.00 C ATOM 0 HA PRO A 52 -3.855 -6.561 7.073 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.047 -8.062 9.598 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.267 -7.001 8.919 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.581 -9.718 9.142 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.429 -8.742 7.960 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.985 -10.469 7.578 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.353 -10.243 6.505 1.00 0.00 H new ATOM 881 N LEU A 53 -1.766 -6.430 8.432 1.00 0.00 N ATOM 882 CA LEU A 53 -0.427 -6.319 8.954 1.00 0.00 C ATOM 883 C LEU A 53 -0.429 -6.663 10.426 1.00 0.00 C ATOM 884 O LEU A 53 -1.468 -6.995 10.998 1.00 0.00 O ATOM 885 CB LEU A 53 0.106 -4.899 8.768 1.00 0.00 C ATOM 886 CG LEU A 53 0.246 -4.429 7.324 1.00 0.00 C ATOM 887 CD1 LEU A 53 0.776 -3.004 7.280 1.00 0.00 C ATOM 888 CD2 LEU A 53 1.149 -5.369 6.535 1.00 0.00 C ATOM 0 H LEU A 53 -2.301 -5.562 8.464 1.00 0.00 H new ATOM 0 HA LEU A 53 0.217 -7.011 8.411 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.557 -4.210 9.292 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.082 -4.831 9.249 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.740 -4.443 6.859 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.870 -2.683 6.243 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.085 -2.343 7.803 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.753 -2.964 7.763 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.235 -5.014 5.508 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.137 -5.394 6.994 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.722 -6.372 6.538 1.00 0.00 H new ATOM 900 N SER A 54 0.729 -6.584 11.031 1.00 0.00 N ATOM 901 CA SER A 54 0.839 -6.792 12.451 1.00 0.00 C ATOM 902 C SER A 54 0.904 -5.458 13.168 1.00 0.00 C ATOM 903 O SER A 54 1.179 -4.425 12.554 1.00 0.00 O ATOM 904 CB SER A 54 2.075 -7.626 12.765 1.00 0.00 C ATOM 905 OG SER A 54 3.179 -7.182 11.998 1.00 0.00 O ATOM 0 H SER A 54 1.610 -6.377 10.561 1.00 0.00 H new ATOM 0 HA SER A 54 -0.041 -7.332 12.799 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.310 -7.554 13.827 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.876 -8.676 12.553 1.00 0.00 H new ATOM 0 HG SER A 54 3.966 -7.726 12.212 1.00 0.00 H new ATOM 911 N GLU A 55 0.654 -5.494 14.461 1.00 0.00 N ATOM 912 CA GLU A 55 0.687 -4.323 15.301 1.00 0.00 C ATOM 913 C GLU A 55 2.040 -3.643 15.216 1.00 0.00 C ATOM 914 O GLU A 55 2.133 -2.420 15.142 1.00 0.00 O ATOM 915 CB GLU A 55 0.427 -4.760 16.729 1.00 0.00 C ATOM 916 CG GLU A 55 -1.020 -5.118 17.024 1.00 0.00 C ATOM 917 CD GLU A 55 -1.969 -3.954 16.838 1.00 0.00 C ATOM 918 OE1 GLU A 55 -1.897 -2.986 17.626 1.00 0.00 O ATOM 919 OE2 GLU A 55 -2.809 -4.010 15.918 1.00 0.00 O ATOM 0 H GLU A 55 0.419 -6.351 14.961 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.072 -3.614 14.971 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.054 -5.623 16.952 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.735 -3.960 17.402 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.326 -5.936 16.372 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.097 -5.481 18.049 1.00 0.00 H new ATOM 926 N GLU A 56 3.075 -4.461 15.257 1.00 0.00 N ATOM 927 CA GLU A 56 4.437 -4.031 15.082 1.00 0.00 C ATOM 928 C GLU A 56 4.600 -3.203 13.815 1.00 0.00 C ATOM 929 O GLU A 56 5.023 -2.049 13.867 1.00 0.00 O ATOM 930 CB GLU A 56 5.303 -5.275 15.012 1.00 0.00 C ATOM 931 CG GLU A 56 6.769 -4.986 14.902 1.00 0.00 C ATOM 932 CD GLU A 56 7.591 -6.249 14.838 1.00 0.00 C ATOM 933 OE1 GLU A 56 7.717 -6.828 13.738 1.00 0.00 O ATOM 934 OE2 GLU A 56 8.097 -6.682 15.893 1.00 0.00 O ATOM 0 H GLU A 56 2.983 -5.464 15.417 1.00 0.00 H new ATOM 0 HA GLU A 56 4.734 -3.397 15.917 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.127 -5.879 15.902 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.995 -5.873 14.154 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.954 -4.387 14.010 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.086 -4.390 15.758 1.00 0.00 H new ATOM 941 N GLU A 57 4.259 -3.803 12.688 1.00 0.00 N ATOM 942 CA GLU A 57 4.335 -3.136 11.402 1.00 0.00 C ATOM 943 C GLU A 57 3.493 -1.868 11.374 1.00 0.00 C ATOM 944 O GLU A 57 3.945 -0.820 10.916 1.00 0.00 O ATOM 945 CB GLU A 57 3.880 -4.101 10.331 1.00 0.00 C ATOM 946 CG GLU A 57 4.845 -5.256 10.149 1.00 0.00 C ATOM 947 CD GLU A 57 6.185 -4.827 9.576 1.00 0.00 C ATOM 948 OE1 GLU A 57 7.022 -4.292 10.336 1.00 0.00 O ATOM 949 OE2 GLU A 57 6.413 -5.031 8.367 1.00 0.00 O ATOM 0 H GLU A 57 3.922 -4.765 12.639 1.00 0.00 H new ATOM 0 HA GLU A 57 5.367 -2.834 11.220 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.896 -4.490 10.591 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.773 -3.568 9.386 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.007 -5.742 11.111 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.395 -5.998 9.489 1.00 0.00 H new ATOM 956 N LEU A 58 2.261 -1.981 11.851 1.00 0.00 N ATOM 957 CA LEU A 58 1.380 -0.826 12.011 1.00 0.00 C ATOM 958 C LEU A 58 2.064 0.301 12.785 1.00 0.00 C ATOM 959 O LEU A 58 1.960 1.477 12.424 1.00 0.00 O ATOM 960 CB LEU A 58 0.108 -1.240 12.743 1.00 0.00 C ATOM 961 CG LEU A 58 -0.768 -2.247 12.006 1.00 0.00 C ATOM 962 CD1 LEU A 58 -1.995 -2.585 12.831 1.00 0.00 C ATOM 963 CD2 LEU A 58 -1.168 -1.718 10.637 1.00 0.00 C ATOM 0 H LEU A 58 1.844 -2.867 12.137 1.00 0.00 H new ATOM 0 HA LEU A 58 1.135 -0.457 11.015 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.385 -1.662 13.709 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.483 -0.347 12.944 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.190 -3.159 11.858 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.610 -3.305 12.291 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.686 -3.015 13.784 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.573 -1.679 13.012 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.792 -2.454 10.131 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.725 -0.789 10.755 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.273 -1.532 10.043 1.00 0.00 H new ATOM 975 N LYS A 59 2.736 -0.070 13.864 1.00 0.00 N ATOM 976 CA LYS A 59 3.443 0.869 14.712 1.00 0.00 C ATOM 977 C LYS A 59 4.609 1.521 13.969 1.00 0.00 C ATOM 978 O LYS A 59 4.855 2.721 14.095 1.00 0.00 O ATOM 979 CB LYS A 59 3.939 0.101 15.936 1.00 0.00 C ATOM 980 CG LYS A 59 4.340 0.955 17.117 1.00 0.00 C ATOM 981 CD LYS A 59 5.778 1.435 17.015 1.00 0.00 C ATOM 982 CE LYS A 59 6.211 2.186 18.264 1.00 0.00 C ATOM 983 NZ LYS A 59 5.371 3.385 18.514 1.00 0.00 N ATOM 0 H LYS A 59 2.805 -1.039 14.175 1.00 0.00 H new ATOM 0 HA LYS A 59 2.775 1.676 15.013 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.155 -0.586 16.255 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.795 -0.506 15.641 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.675 1.816 17.183 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.214 0.383 18.036 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.436 0.581 16.858 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.884 2.084 16.145 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.156 1.519 19.125 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.253 2.489 18.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.781 3.940 19.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.334 3.968 17.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.409 3.087 18.772 1.00 0.00 H new ATOM 997 N ALA A 60 5.298 0.723 13.179 1.00 0.00 N ATOM 998 CA ALA A 60 6.507 1.156 12.490 1.00 0.00 C ATOM 999 C ALA A 60 6.205 1.661 11.080 1.00 0.00 C ATOM 1000 O ALA A 60 6.905 1.323 10.122 1.00 0.00 O ATOM 1001 CB ALA A 60 7.509 0.011 12.441 1.00 0.00 C ATOM 0 H ALA A 60 5.039 -0.246 12.993 1.00 0.00 H new ATOM 0 HA ALA A 60 6.935 1.989 13.049 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.411 0.339 11.925 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.762 -0.295 13.456 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.072 -0.832 11.907 1.00 0.00 H new ATOM 1007 N LEU A 61 5.178 2.494 10.957 1.00 0.00 N ATOM 1008 CA LEU A 61 4.803 3.046 9.655 1.00 0.00 C ATOM 1009 C LEU A 61 5.731 4.179 9.244 1.00 0.00 C ATOM 1010 O LEU A 61 5.761 4.589 8.082 1.00 0.00 O ATOM 1011 CB LEU A 61 3.345 3.534 9.645 1.00 0.00 C ATOM 1012 CG LEU A 61 3.067 4.859 10.378 1.00 0.00 C ATOM 1013 CD1 LEU A 61 1.671 5.360 10.048 1.00 0.00 C ATOM 1014 CD2 LEU A 61 3.224 4.703 11.885 1.00 0.00 C ATOM 0 H LEU A 61 4.593 2.802 11.734 1.00 0.00 H new ATOM 0 HA LEU A 61 4.900 2.237 8.931 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.027 3.643 8.608 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.721 2.759 10.090 1.00 0.00 H new ATOM 0 HG LEU A 61 3.800 5.590 10.036 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.487 6.298 10.573 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.588 5.523 8.974 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.935 4.619 10.361 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.021 5.656 12.373 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.522 3.953 12.248 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.242 4.388 12.114 1.00 0.00 H new ATOM 1026 N GLU A 62 6.493 4.637 10.218 1.00 0.00 N ATOM 1027 CA GLU A 62 7.434 5.755 10.077 1.00 0.00 C ATOM 1028 C GLU A 62 6.712 7.080 9.791 1.00 0.00 C ATOM 1029 O GLU A 62 5.704 7.130 9.087 1.00 0.00 O ATOM 1030 CB GLU A 62 8.484 5.463 8.997 1.00 0.00 C ATOM 1031 CG GLU A 62 9.716 6.351 9.091 1.00 0.00 C ATOM 1032 CD GLU A 62 10.813 5.942 8.128 1.00 0.00 C ATOM 1033 OE1 GLU A 62 11.172 4.747 8.095 1.00 0.00 O ATOM 1034 OE2 GLU A 62 11.340 6.816 7.417 1.00 0.00 O ATOM 0 H GLU A 62 6.482 4.239 11.157 1.00 0.00 H new ATOM 0 HA GLU A 62 7.947 5.862 11.032 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.791 4.420 9.073 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.028 5.590 8.015 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.430 7.383 8.890 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.103 6.320 10.109 1.00 0.00 H new ATOM 1041 N HIS A 63 7.236 8.158 10.361 1.00 0.00 N ATOM 1042 CA HIS A 63 6.624 9.482 10.215 1.00 0.00 C ATOM 1043 C HIS A 63 7.396 10.335 9.218 1.00 0.00 C ATOM 1044 O HIS A 63 7.137 11.529 9.067 1.00 0.00 O ATOM 1045 CB HIS A 63 6.571 10.204 11.563 1.00 0.00 C ATOM 1046 CG HIS A 63 5.762 9.487 12.595 1.00 0.00 C ATOM 1047 ND1 HIS A 63 6.265 9.128 13.823 1.00 0.00 N ATOM 1048 CD2 HIS A 63 4.476 9.063 12.577 1.00 0.00 C ATOM 1049 CE1 HIS A 63 5.329 8.509 14.516 1.00 0.00 C ATOM 1050 NE2 HIS A 63 4.233 8.458 13.782 1.00 0.00 N ATOM 0 H HIS A 63 8.083 8.146 10.929 1.00 0.00 H new ATOM 0 HA HIS A 63 5.610 9.335 9.844 1.00 0.00 H new ATOM 0 HB2 HIS A 63 7.587 10.334 11.936 1.00 0.00 H new ATOM 0 HB3 HIS A 63 6.155 11.201 11.416 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.774 9.180 11.765 1.00 0.00 H new ATOM 0 HE1 HIS A 63 5.440 8.112 15.514 1.00 0.00 H new ATOM 0 HE2 HIS A 63 3.349 8.037 14.066 1.00 0.00 H new ATOM 1059 N HIS A 64 8.349 9.718 8.545 1.00 0.00 N ATOM 1060 CA HIS A 64 9.192 10.419 7.589 1.00 0.00 C ATOM 1061 C HIS A 64 9.281 9.634 6.292 1.00 0.00 C ATOM 1062 O HIS A 64 8.702 8.554 6.177 1.00 0.00 O ATOM 1063 CB HIS A 64 10.597 10.634 8.163 1.00 0.00 C ATOM 1064 CG HIS A 64 10.648 11.656 9.256 1.00 0.00 C ATOM 1065 ND1 HIS A 64 11.301 11.455 10.455 1.00 0.00 N ATOM 1066 CD2 HIS A 64 10.124 12.903 9.324 1.00 0.00 C ATOM 1067 CE1 HIS A 64 11.174 12.531 11.208 1.00 0.00 C ATOM 1068 NE2 HIS A 64 10.467 13.421 10.545 1.00 0.00 N ATOM 0 H HIS A 64 8.561 8.725 8.643 1.00 0.00 H new ATOM 0 HA HIS A 64 8.744 11.392 7.388 1.00 0.00 H new ATOM 0 HB2 HIS A 64 10.973 9.685 8.546 1.00 0.00 H new ATOM 0 HB3 HIS A 64 11.266 10.941 7.359 1.00 0.00 H new ATOM 0 HD2 HIS A 64 9.544 13.397 8.558 1.00 0.00 H new ATOM 0 HE1 HIS A 64 11.581 12.659 12.200 1.00 0.00 H new ATOM 0 HE2 HIS A 64 10.215 14.349 10.886 1.00 0.00 H new ATOM 1077 N HIS A 65 9.990 10.188 5.314 1.00 0.00 N ATOM 1078 CA HIS A 65 10.254 9.475 4.073 1.00 0.00 C ATOM 1079 C HIS A 65 11.024 8.207 4.389 1.00 0.00 C ATOM 1080 O HIS A 65 12.126 8.284 4.936 1.00 0.00 O ATOM 1081 CB HIS A 65 11.050 10.349 3.098 1.00 0.00 C ATOM 1082 CG HIS A 65 10.281 11.522 2.583 1.00 0.00 C ATOM 1083 ND1 HIS A 65 10.711 12.824 2.706 1.00 0.00 N ATOM 1084 CD2 HIS A 65 9.105 11.580 1.922 1.00 0.00 C ATOM 1085 CE1 HIS A 65 9.828 13.630 2.151 1.00 0.00 C ATOM 1086 NE2 HIS A 65 8.842 12.900 1.666 1.00 0.00 N ATOM 0 H HIS A 65 10.390 11.125 5.358 1.00 0.00 H new ATOM 0 HA HIS A 65 9.306 9.224 3.597 1.00 0.00 H new ATOM 0 HB2 HIS A 65 11.951 10.706 3.596 1.00 0.00 H new ATOM 0 HB3 HIS A 65 11.372 9.738 2.255 1.00 0.00 H new ATOM 0 HD2 HIS A 65 8.485 10.740 1.646 1.00 0.00 H new ATOM 0 HE1 HIS A 65 9.900 14.706 2.102 1.00 0.00 H new ATOM 0 HE2 HIS A 65 8.020 13.259 1.181 1.00 0.00 H new ATOM 1095 N HIS A 66 10.424 7.062 4.056 1.00 0.00 N ATOM 1096 CA HIS A 66 10.953 5.748 4.430 1.00 0.00 C ATOM 1097 C HIS A 66 12.465 5.665 4.277 1.00 0.00 C ATOM 1098 O HIS A 66 13.007 5.695 3.170 1.00 0.00 O ATOM 1099 CB HIS A 66 10.266 4.637 3.632 1.00 0.00 C ATOM 1100 CG HIS A 66 8.986 4.172 4.258 1.00 0.00 C ATOM 1101 ND1 HIS A 66 7.757 4.243 3.634 1.00 0.00 N ATOM 1102 CD2 HIS A 66 8.755 3.614 5.470 1.00 0.00 C ATOM 1103 CE1 HIS A 66 6.831 3.752 4.436 1.00 0.00 C ATOM 1104 NE2 HIS A 66 7.410 3.361 5.556 1.00 0.00 N ATOM 0 H HIS A 66 9.558 7.019 3.519 1.00 0.00 H new ATOM 0 HA HIS A 66 10.732 5.607 5.488 1.00 0.00 H new ATOM 0 HB2 HIS A 66 10.061 4.995 2.623 1.00 0.00 H new ATOM 0 HB3 HIS A 66 10.946 3.791 3.538 1.00 0.00 H new ATOM 0 HD1 HIS A 66 7.591 4.616 2.700 1.00 0.00 H new ATOM 0 HD2 HIS A 66 9.494 3.406 6.229 1.00 0.00 H new ATOM 0 HE1 HIS A 66 5.777 3.682 4.213 1.00 0.00 H new ATOM 1113 N HIS A 67 13.126 5.579 5.422 1.00 0.00 N ATOM 1114 CA HIS A 67 14.579 5.588 5.498 1.00 0.00 C ATOM 1115 C HIS A 67 15.191 4.308 4.952 1.00 0.00 C ATOM 1116 O HIS A 67 14.515 3.291 4.792 1.00 0.00 O ATOM 1117 CB HIS A 67 15.028 5.778 6.947 1.00 0.00 C ATOM 1118 CG HIS A 67 14.920 7.186 7.446 1.00 0.00 C ATOM 1119 ND1 HIS A 67 13.720 7.813 7.707 1.00 0.00 N ATOM 1120 CD2 HIS A 67 15.883 8.087 7.741 1.00 0.00 C ATOM 1121 CE1 HIS A 67 13.953 9.035 8.143 1.00 0.00 C ATOM 1122 NE2 HIS A 67 15.256 9.225 8.173 1.00 0.00 N ATOM 0 H HIS A 67 12.667 5.501 6.329 1.00 0.00 H new ATOM 0 HA HIS A 67 14.926 6.418 4.883 1.00 0.00 H new ATOM 0 HB2 HIS A 67 14.430 5.131 7.588 1.00 0.00 H new ATOM 0 HB3 HIS A 67 16.063 5.450 7.040 1.00 0.00 H new ATOM 0 HD1 HIS A 67 12.797 7.397 7.582 1.00 0.00 H new ATOM 0 HD2 HIS A 67 16.949 7.937 7.652 1.00 0.00 H new ATOM 0 HE1 HIS A 67 13.203 9.758 8.427 1.00 0.00 H new ATOM 1131 N HIS A 68 16.483 4.387 4.671 1.00 0.00 N ATOM 1132 CA HIS A 68 17.272 3.241 4.261 1.00 0.00 C ATOM 1133 C HIS A 68 17.871 2.569 5.491 1.00 0.00 C ATOM 1134 O HIS A 68 18.822 3.135 6.064 1.00 0.00 O ATOM 1135 CB HIS A 68 18.377 3.695 3.296 1.00 0.00 C ATOM 1136 CG HIS A 68 19.455 2.681 3.051 1.00 0.00 C ATOM 1137 ND1 HIS A 68 20.761 2.872 3.446 1.00 0.00 N ATOM 1138 CD2 HIS A 68 19.424 1.479 2.433 1.00 0.00 C ATOM 1139 CE1 HIS A 68 21.487 1.833 3.082 1.00 0.00 C ATOM 1140 NE2 HIS A 68 20.699 0.970 2.466 1.00 0.00 N ATOM 1141 OXT HIS A 68 17.390 1.483 5.880 1.00 0.00 O ATOM 0 H HIS A 68 17.015 5.256 4.722 1.00 0.00 H new ATOM 0 HA HIS A 68 16.637 2.521 3.746 1.00 0.00 H new ATOM 0 HB2 HIS A 68 17.921 3.957 2.341 1.00 0.00 H new ATOM 0 HB3 HIS A 68 18.834 4.602 3.691 1.00 0.00 H new ATOM 0 HD2 HIS A 68 18.557 1.007 1.995 1.00 0.00 H new ATOM 0 HE1 HIS A 68 22.545 1.709 3.258 1.00 0.00 H new ATOM 0 HE2 HIS A 68 20.990 0.073 2.078 1.00 0.00 H new TER 1150 HIS A 68