USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 426 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 9 ASN :FLIP amide:sc= 0.242 F(o=-1.4,f=0.39) USER MOD Set 1.2: A 56 THR OG1 : rot -98:sc= 0.147 USER MOD Set 2.1: A 50 THR OG1 : rot -29:sc= -0.64 USER MOD Set 2.2: A 52 THR OG1 : rot 64:sc= 0.417 USER MOD Set 3.1: A 45 THR OG1 : rot -7:sc= -0.56! USER MOD Set 3.2: A 54 THR OG1 : rot 154:sc= 0.601 USER MOD Single : A 2 THR OG1 : rot 28:sc= 0.282 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.02 USER MOD Single : A 5 LYS NZ :NH3+ -142:sc= 0.531 (180deg=0.036) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -160:sc= -0.976 USER MOD Single : A 14 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.0168) USER MOD Single : A 18 THR OG1 : rot 27:sc= 0.411 USER MOD Single : A 29 LYS NZ :NH3+ 155:sc= -1.64 (180deg=-3.04) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.217 K(o=-0.22,f=-3.1!) USER MOD Single : A 34 TYR OH : rot 0:sc= -2.5! USER MOD Single : A 36 ASN : amide:sc= 0.0319 X(o=0.032,f=-0.00015) USER MOD Single : A 38 ASN : amide:sc= 0.107 X(o=0.11,f=-0.32) USER MOD Single : A 46 TYR OH : rot -153:sc= -0.0766 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -2.416 -12.124 6.239 1.00 0.00 N ATOM 21 CA THR A 2 -2.663 -11.180 5.109 1.00 0.00 C ATOM 22 C THR A 2 -1.704 -9.989 5.197 1.00 0.00 C ATOM 23 O THR A 2 -2.099 -8.851 5.033 1.00 0.00 O ATOM 24 CB THR A 2 -4.111 -10.717 5.287 1.00 0.00 C ATOM 25 OG1 THR A 2 -4.966 -11.850 5.319 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.509 -9.810 4.122 1.00 0.00 C ATOM 0 HA THR A 2 -2.502 -11.647 4.138 1.00 0.00 H new ATOM 0 HB THR A 2 -4.202 -10.163 6.221 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.471 -12.624 5.661 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.540 -9.482 4.252 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.852 -8.940 4.097 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.418 -10.360 3.185 1.00 0.00 H new ATOM 34 N THR A 3 -0.447 -10.245 5.455 1.00 0.00 N ATOM 35 CA THR A 3 0.543 -9.129 5.553 1.00 0.00 C ATOM 36 C THR A 3 0.807 -8.539 4.165 1.00 0.00 C ATOM 37 O THR A 3 1.651 -9.014 3.430 1.00 0.00 O ATOM 38 CB THR A 3 1.816 -9.761 6.121 1.00 0.00 C ATOM 39 OG1 THR A 3 1.469 -10.684 7.144 1.00 0.00 O ATOM 40 CG2 THR A 3 2.711 -8.666 6.703 1.00 0.00 C ATOM 0 H THR A 3 -0.063 -11.178 5.602 1.00 0.00 H new ATOM 0 HA THR A 3 0.184 -8.316 6.184 1.00 0.00 H new ATOM 0 HB THR A 3 2.350 -10.283 5.327 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.283 -11.091 7.507 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.618 -9.115 7.108 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.976 -7.957 5.918 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.178 -8.145 7.498 1.00 0.00 H new ATOM 48 N PHE A 4 0.085 -7.508 3.806 1.00 0.00 N ATOM 49 CA PHE A 4 0.283 -6.878 2.465 1.00 0.00 C ATOM 50 C PHE A 4 1.470 -5.914 2.505 1.00 0.00 C ATOM 51 O PHE A 4 1.656 -5.186 3.463 1.00 0.00 O ATOM 52 CB PHE A 4 -1.016 -6.121 2.188 1.00 0.00 C ATOM 53 CG PHE A 4 -1.988 -7.038 1.488 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.714 -7.482 0.189 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.157 -7.451 2.137 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.609 -8.336 -0.461 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.053 -8.306 1.485 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.779 -8.748 0.185 1.00 0.00 C ATOM 0 H PHE A 4 -0.634 -7.074 4.385 1.00 0.00 H new ATOM 0 HA PHE A 4 0.498 -7.613 1.690 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.447 -5.761 3.122 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.815 -5.245 1.571 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.811 -7.165 -0.311 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.368 -7.110 3.140 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.397 -8.678 -1.463 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.956 -8.625 1.985 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.471 -9.407 -0.319 1.00 0.00 H new ATOM 68 N LYS A 5 2.272 -5.906 1.472 1.00 0.00 N ATOM 69 CA LYS A 5 3.453 -4.991 1.444 1.00 0.00 C ATOM 70 C LYS A 5 3.187 -3.814 0.501 1.00 0.00 C ATOM 71 O LYS A 5 2.083 -3.626 0.025 1.00 0.00 O ATOM 72 CB LYS A 5 4.612 -5.842 0.919 1.00 0.00 C ATOM 73 CG LYS A 5 4.837 -7.050 1.839 1.00 0.00 C ATOM 74 CD LYS A 5 4.220 -8.309 1.210 1.00 0.00 C ATOM 75 CE LYS A 5 5.230 -9.462 1.253 1.00 0.00 C ATOM 76 NZ LYS A 5 5.138 -10.107 -0.087 1.00 0.00 N ATOM 0 H LYS A 5 2.160 -6.494 0.646 1.00 0.00 H new ATOM 0 HA LYS A 5 3.669 -4.573 2.427 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.395 -6.182 -0.094 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.520 -5.241 0.866 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.904 -7.200 2.002 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.389 -6.863 2.815 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.314 -8.588 1.747 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.930 -8.106 0.179 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.238 -9.096 1.446 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.989 -10.168 2.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.226 -11.138 0.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.220 -9.880 -0.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.904 -9.754 -0.696 1.00 0.00 H new ATOM 90 N LEU A 6 4.194 -3.024 0.230 1.00 0.00 N ATOM 91 CA LEU A 6 4.012 -1.854 -0.680 1.00 0.00 C ATOM 92 C LEU A 6 5.378 -1.324 -1.126 1.00 0.00 C ATOM 93 O LEU A 6 6.090 -0.707 -0.358 1.00 0.00 O ATOM 94 CB LEU A 6 3.270 -0.809 0.168 1.00 0.00 C ATOM 95 CG LEU A 6 3.100 0.504 -0.616 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.704 0.560 -1.242 1.00 0.00 C ATOM 97 CD2 LEU A 6 3.277 1.693 0.336 1.00 0.00 C ATOM 0 H LEU A 6 5.137 -3.139 0.601 1.00 0.00 H new ATOM 0 HA LEU A 6 3.460 -2.106 -1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.293 -1.195 0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.823 -0.620 1.088 1.00 0.00 H new ATOM 0 HG LEU A 6 3.850 0.549 -1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.591 1.492 -1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.576 -0.283 -1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.951 0.511 -0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.157 2.624 -0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.527 1.641 1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.273 1.660 0.778 1.00 0.00 H new ATOM 109 N ILE A 7 5.727 -1.531 -2.371 1.00 0.00 N ATOM 110 CA ILE A 7 7.026 -1.011 -2.875 1.00 0.00 C ATOM 111 C ILE A 7 6.818 0.435 -3.295 1.00 0.00 C ATOM 112 O ILE A 7 5.887 0.747 -4.018 1.00 0.00 O ATOM 113 CB ILE A 7 7.385 -1.887 -4.077 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.551 -3.336 -3.616 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.699 -1.395 -4.694 1.00 0.00 C ATOM 116 CD1 ILE A 7 7.419 -4.273 -4.818 1.00 0.00 C ATOM 0 H ILE A 7 5.166 -2.037 -3.056 1.00 0.00 H new ATOM 0 HA ILE A 7 7.823 -1.041 -2.132 1.00 0.00 H new ATOM 0 HB ILE A 7 6.590 -1.829 -4.821 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.524 -3.469 -3.143 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.797 -3.579 -2.867 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.955 -2.019 -5.550 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.583 -0.361 -5.020 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.494 -1.454 -3.951 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.537 -5.305 -4.489 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.436 -4.147 -5.271 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.190 -4.035 -5.551 1.00 0.00 H new ATOM 128 N ILE A 8 7.652 1.324 -2.834 1.00 0.00 N ATOM 129 CA ILE A 8 7.464 2.756 -3.198 1.00 0.00 C ATOM 130 C ILE A 8 8.296 3.097 -4.436 1.00 0.00 C ATOM 131 O ILE A 8 9.513 3.073 -4.398 1.00 0.00 O ATOM 132 CB ILE A 8 7.944 3.598 -2.011 1.00 0.00 C ATOM 133 CG1 ILE A 8 7.489 2.993 -0.662 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.386 5.016 -2.161 1.00 0.00 C ATOM 135 CD1 ILE A 8 5.962 3.036 -0.505 1.00 0.00 C ATOM 0 H ILE A 8 8.448 1.125 -2.227 1.00 0.00 H new ATOM 0 HA ILE A 8 6.416 2.957 -3.422 1.00 0.00 H new ATOM 0 HB ILE A 8 9.034 3.614 -2.010 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.833 1.961 -0.592 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.954 3.541 0.158 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.719 5.629 -1.323 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.745 5.451 -3.094 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.297 4.979 -2.173 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.683 2.602 0.455 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.621 4.070 -0.549 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.497 2.466 -1.310 1.00 0.00 H new ATOM 147 N ASN A 9 7.654 3.417 -5.528 1.00 0.00 N ATOM 148 CA ASN A 9 8.407 3.768 -6.768 1.00 0.00 C ATOM 149 C ASN A 9 8.494 5.290 -6.922 1.00 0.00 C ATOM 150 O ASN A 9 8.354 5.823 -8.006 1.00 0.00 O ATOM 151 CB ASN A 9 7.595 3.152 -7.909 1.00 0.00 C ATOM 152 CG ASN A 9 8.322 3.377 -9.236 1.00 0.00 C ATOM 153 OD1 ASN A 9 7.895 4.301 -10.052 1.00 0.00 O flip ATOM 154 ND2 ASN A 9 9.289 2.703 -9.534 1.00 0.00 N flip ATOM 0 H ASN A 9 6.638 3.451 -5.615 1.00 0.00 H new ATOM 0 HA ASN A 9 9.431 3.396 -6.752 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.456 2.085 -7.735 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.602 3.601 -7.946 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.623 1.980 -8.896 1.00 0.00 H new ATOM 0 HD22 ASN A 9 9.766 2.860 -10.422 1.00 0.00 H new ATOM 161 N GLY A 10 8.726 5.991 -5.839 1.00 0.00 N ATOM 162 CA GLY A 10 8.826 7.480 -5.907 1.00 0.00 C ATOM 163 C GLY A 10 10.083 7.943 -5.168 1.00 0.00 C ATOM 164 O GLY A 10 11.064 7.227 -5.090 1.00 0.00 O ATOM 0 H GLY A 10 8.851 5.593 -4.908 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.862 7.805 -6.947 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.941 7.935 -5.461 1.00 0.00 H new ATOM 168 N LYS A 11 10.061 9.136 -4.624 1.00 0.00 N ATOM 169 CA LYS A 11 11.256 9.649 -3.886 1.00 0.00 C ATOM 170 C LYS A 11 10.931 9.832 -2.399 1.00 0.00 C ATOM 171 O LYS A 11 11.796 9.723 -1.551 1.00 0.00 O ATOM 172 CB LYS A 11 11.596 10.994 -4.541 1.00 0.00 C ATOM 173 CG LYS A 11 10.402 11.948 -4.443 1.00 0.00 C ATOM 174 CD LYS A 11 10.843 13.358 -4.839 1.00 0.00 C ATOM 175 CE LYS A 11 11.331 14.107 -3.597 1.00 0.00 C ATOM 176 NZ LYS A 11 12.119 15.255 -4.125 1.00 0.00 N ATOM 0 H LYS A 11 9.267 9.776 -4.660 1.00 0.00 H new ATOM 0 HA LYS A 11 12.095 8.955 -3.939 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.464 11.435 -4.052 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.863 10.840 -5.587 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.598 11.610 -5.097 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.007 11.951 -3.427 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.639 13.307 -5.582 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.013 13.895 -5.298 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.494 14.449 -2.988 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.944 13.465 -2.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.488 15.817 -3.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.913 14.899 -4.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.508 15.852 -4.718 1.00 0.00 H new ATOM 190 N THR A 12 9.690 10.103 -2.079 1.00 0.00 N ATOM 191 CA THR A 12 9.303 10.287 -0.648 1.00 0.00 C ATOM 192 C THR A 12 9.133 8.927 0.019 1.00 0.00 C ATOM 193 O THR A 12 8.248 8.175 -0.322 1.00 0.00 O ATOM 194 CB THR A 12 7.978 11.051 -0.685 1.00 0.00 C ATOM 195 OG1 THR A 12 7.138 10.490 -1.682 1.00 0.00 O ATOM 196 CG2 THR A 12 8.244 12.522 -1.009 1.00 0.00 C ATOM 0 H THR A 12 8.928 10.205 -2.749 1.00 0.00 H new ATOM 0 HA THR A 12 10.057 10.828 -0.077 1.00 0.00 H new ATOM 0 HB THR A 12 7.489 10.978 0.286 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.448 11.139 -1.932 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.299 13.065 -1.035 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.889 12.952 -0.243 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.733 12.598 -1.980 1.00 0.00 H new ATOM 204 N LEU A 13 9.989 8.614 0.963 1.00 0.00 N ATOM 205 CA LEU A 13 9.923 7.296 1.673 1.00 0.00 C ATOM 206 C LEU A 13 10.148 6.153 0.663 1.00 0.00 C ATOM 207 O LEU A 13 9.731 6.230 -0.477 1.00 0.00 O ATOM 208 CB LEU A 13 8.532 7.271 2.380 1.00 0.00 C ATOM 209 CG LEU A 13 7.534 6.311 1.714 1.00 0.00 C ATOM 210 CD1 LEU A 13 7.769 4.886 2.221 1.00 0.00 C ATOM 211 CD2 LEU A 13 6.109 6.737 2.070 1.00 0.00 C ATOM 0 H LEU A 13 10.742 9.226 1.276 1.00 0.00 H new ATOM 0 HA LEU A 13 10.702 7.160 2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.666 6.981 3.422 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.113 8.277 2.381 1.00 0.00 H new ATOM 0 HG LEU A 13 7.674 6.341 0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.059 4.209 1.746 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.785 4.576 1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.631 4.857 3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.398 6.058 1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.979 6.705 3.152 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.933 7.752 1.713 1.00 0.00 H new ATOM 223 N LYS A 14 10.814 5.102 1.073 1.00 0.00 N ATOM 224 CA LYS A 14 11.073 3.971 0.143 1.00 0.00 C ATOM 225 C LYS A 14 11.191 2.649 0.904 1.00 0.00 C ATOM 226 O LYS A 14 11.776 2.585 1.970 1.00 0.00 O ATOM 227 CB LYS A 14 12.390 4.317 -0.560 1.00 0.00 C ATOM 228 CG LYS A 14 13.508 4.482 0.474 1.00 0.00 C ATOM 229 CD LYS A 14 14.799 4.898 -0.233 1.00 0.00 C ATOM 230 CE LYS A 14 14.803 6.414 -0.440 1.00 0.00 C ATOM 231 NZ LYS A 14 15.332 6.974 0.836 1.00 0.00 N ATOM 0 H LYS A 14 11.188 4.983 2.014 1.00 0.00 H new ATOM 0 HA LYS A 14 10.257 3.840 -0.568 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.651 3.531 -1.268 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.275 5.237 -1.133 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.227 5.233 1.212 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.661 3.547 1.013 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.663 4.599 0.360 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.880 4.389 -1.193 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.431 6.696 -1.285 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.800 6.787 -0.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.988 7.948 0.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.006 6.391 1.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.372 6.975 0.810 1.00 0.00 H new ATOM 245 N GLY A 15 10.642 1.593 0.356 1.00 0.00 N ATOM 246 CA GLY A 15 10.720 0.267 1.034 1.00 0.00 C ATOM 247 C GLY A 15 9.470 -0.553 0.708 1.00 0.00 C ATOM 248 O GLY A 15 8.743 -0.251 -0.221 1.00 0.00 O ATOM 0 H GLY A 15 10.143 1.595 -0.533 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.612 -0.267 0.708 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.806 0.403 2.112 1.00 0.00 H new ATOM 252 N GLU A 16 9.218 -1.587 1.471 1.00 0.00 N ATOM 253 CA GLU A 16 8.016 -2.439 1.221 1.00 0.00 C ATOM 254 C GLU A 16 6.971 -2.217 2.320 1.00 0.00 C ATOM 255 O GLU A 16 5.791 -2.113 2.051 1.00 0.00 O ATOM 256 CB GLU A 16 8.536 -3.876 1.260 1.00 0.00 C ATOM 257 CG GLU A 16 9.121 -4.244 -0.105 1.00 0.00 C ATOM 258 CD GLU A 16 10.479 -3.562 -0.280 1.00 0.00 C ATOM 259 OE1 GLU A 16 11.377 -3.868 0.487 1.00 0.00 O ATOM 260 OE2 GLU A 16 10.598 -2.747 -1.179 1.00 0.00 O ATOM 0 H GLU A 16 9.796 -1.878 2.259 1.00 0.00 H new ATOM 0 HA GLU A 16 7.534 -2.204 0.272 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.297 -3.978 2.033 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.727 -4.560 1.517 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.232 -5.325 -0.185 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.442 -3.934 -0.899 1.00 0.00 H new ATOM 267 N ILE A 17 7.399 -2.146 3.559 1.00 0.00 N ATOM 268 CA ILE A 17 6.438 -1.936 4.694 1.00 0.00 C ATOM 269 C ILE A 17 5.318 -2.986 4.647 1.00 0.00 C ATOM 270 O ILE A 17 4.336 -2.826 3.948 1.00 0.00 O ATOM 271 CB ILE A 17 5.867 -0.523 4.499 1.00 0.00 C ATOM 272 CG1 ILE A 17 7.011 0.497 4.509 1.00 0.00 C ATOM 273 CG2 ILE A 17 4.894 -0.194 5.635 1.00 0.00 C ATOM 274 CD1 ILE A 17 7.496 0.735 3.079 1.00 0.00 C ATOM 0 H ILE A 17 8.378 -2.225 3.836 1.00 0.00 H new ATOM 0 HA ILE A 17 6.927 -2.038 5.663 1.00 0.00 H new ATOM 0 HB ILE A 17 5.341 -0.480 3.545 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.672 1.435 4.950 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.832 0.132 5.127 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.493 0.809 5.491 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.077 -0.915 5.635 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.419 -0.241 6.589 1.00 0.00 H new ATOM 0 HD11 ILE A 17 8.309 1.460 3.087 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.851 -0.204 2.654 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.674 1.118 2.475 1.00 0.00 H new ATOM 286 N THR A 18 5.470 -4.058 5.382 1.00 0.00 N ATOM 287 CA THR A 18 4.425 -5.127 5.382 1.00 0.00 C ATOM 288 C THR A 18 3.389 -4.855 6.476 1.00 0.00 C ATOM 289 O THR A 18 3.731 -4.583 7.611 1.00 0.00 O ATOM 290 CB THR A 18 5.183 -6.427 5.676 1.00 0.00 C ATOM 291 OG1 THR A 18 5.800 -6.333 6.951 1.00 0.00 O ATOM 292 CG2 THR A 18 6.253 -6.665 4.606 1.00 0.00 C ATOM 0 H THR A 18 6.274 -4.240 5.983 1.00 0.00 H new ATOM 0 HA THR A 18 3.886 -5.174 4.436 1.00 0.00 H new ATOM 0 HB THR A 18 4.481 -7.261 5.667 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.293 -5.713 7.515 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.786 -7.591 4.824 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.779 -6.741 3.628 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.957 -5.833 4.604 1.00 0.00 H new ATOM 300 N ILE A 19 2.124 -4.934 6.142 1.00 0.00 N ATOM 301 CA ILE A 19 1.060 -4.686 7.165 1.00 0.00 C ATOM 302 C ILE A 19 -0.133 -5.620 6.935 1.00 0.00 C ATOM 303 O ILE A 19 -0.641 -5.734 5.836 1.00 0.00 O ATOM 304 CB ILE A 19 0.647 -3.219 6.985 1.00 0.00 C ATOM 305 CG1 ILE A 19 0.130 -2.988 5.558 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.858 -2.320 7.240 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.402 -3.003 5.553 1.00 0.00 C ATOM 0 H ILE A 19 1.783 -5.159 5.208 1.00 0.00 H new ATOM 0 HA ILE A 19 1.418 -4.878 8.176 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.147 -2.980 7.693 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.495 -2.033 5.179 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.513 -3.762 4.893 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.570 -1.277 7.113 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.219 -2.476 8.257 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.649 -2.566 6.532 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.764 -2.839 4.538 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.758 -3.968 5.913 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.776 -2.213 6.204 1.00 0.00 H new ATOM 319 N GLU A 20 -0.579 -6.287 7.970 1.00 0.00 N ATOM 320 CA GLU A 20 -1.740 -7.219 7.827 1.00 0.00 C ATOM 321 C GLU A 20 -3.029 -6.425 7.616 1.00 0.00 C ATOM 322 O GLU A 20 -3.118 -5.264 7.967 1.00 0.00 O ATOM 323 CB GLU A 20 -1.797 -7.998 9.143 1.00 0.00 C ATOM 324 CG GLU A 20 -0.536 -8.852 9.284 1.00 0.00 C ATOM 325 CD GLU A 20 -0.500 -9.484 10.677 1.00 0.00 C ATOM 326 OE1 GLU A 20 -1.557 -9.824 11.179 1.00 0.00 O ATOM 327 OE2 GLU A 20 0.587 -9.617 11.216 1.00 0.00 O ATOM 0 H GLU A 20 -0.188 -6.226 8.910 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.631 -7.883 6.970 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.878 -7.308 9.983 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.683 -8.632 9.165 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.523 -9.629 8.520 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.351 -8.238 9.129 1.00 0.00 H new ATOM 334 N ALA A 21 -4.027 -7.046 7.042 1.00 0.00 N ATOM 335 CA ALA A 21 -5.318 -6.337 6.798 1.00 0.00 C ATOM 336 C ALA A 21 -6.400 -7.338 6.386 1.00 0.00 C ATOM 337 O ALA A 21 -6.109 -8.443 5.971 1.00 0.00 O ATOM 338 CB ALA A 21 -5.024 -5.366 5.654 1.00 0.00 C ATOM 0 H ALA A 21 -4.003 -8.017 6.731 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.683 -5.823 7.687 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.926 -4.804 5.413 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.236 -4.676 5.956 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.700 -5.925 4.776 1.00 0.00 H new ATOM 344 N VAL A 22 -7.650 -6.956 6.497 1.00 0.00 N ATOM 345 CA VAL A 22 -8.767 -7.875 6.111 1.00 0.00 C ATOM 346 C VAL A 22 -8.568 -8.385 4.675 1.00 0.00 C ATOM 347 O VAL A 22 -8.958 -9.487 4.335 1.00 0.00 O ATOM 348 CB VAL A 22 -10.043 -7.026 6.220 1.00 0.00 C ATOM 349 CG1 VAL A 22 -9.954 -5.820 5.277 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.261 -7.876 5.844 1.00 0.00 C ATOM 0 H VAL A 22 -7.946 -6.042 6.840 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.815 -8.756 6.751 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.146 -6.672 7.246 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.863 -5.224 5.361 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.093 -5.209 5.548 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.843 -6.168 4.250 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.165 -7.272 5.922 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.152 -8.235 4.821 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.334 -8.727 6.521 1.00 0.00 H new ATOM 360 N ASP A 23 -7.961 -7.583 3.842 1.00 0.00 N ATOM 361 CA ASP A 23 -7.719 -7.992 2.425 1.00 0.00 C ATOM 362 C ASP A 23 -6.813 -6.961 1.751 1.00 0.00 C ATOM 363 O ASP A 23 -6.436 -5.974 2.357 1.00 0.00 O ATOM 364 CB ASP A 23 -9.102 -8.020 1.758 1.00 0.00 C ATOM 365 CG ASP A 23 -9.807 -6.661 1.906 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.169 -5.714 2.342 1.00 0.00 O ATOM 367 OD2 ASP A 23 -10.981 -6.592 1.579 1.00 0.00 O ATOM 0 H ASP A 23 -7.619 -6.653 4.084 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.228 -8.962 2.349 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.996 -8.267 0.702 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.712 -8.803 2.209 1.00 0.00 H new ATOM 372 N ALA A 24 -6.463 -7.173 0.507 1.00 0.00 N ATOM 373 CA ALA A 24 -5.582 -6.188 -0.188 1.00 0.00 C ATOM 374 C ALA A 24 -6.317 -4.856 -0.334 1.00 0.00 C ATOM 375 O ALA A 24 -5.715 -3.800 -0.327 1.00 0.00 O ATOM 376 CB ALA A 24 -5.281 -6.792 -1.559 1.00 0.00 C ATOM 0 H ALA A 24 -6.746 -7.978 -0.052 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.663 -5.995 0.366 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.637 -6.116 -2.121 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.778 -7.751 -1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.213 -6.941 -2.104 1.00 0.00 H new ATOM 382 N ALA A 25 -7.624 -4.900 -0.454 1.00 0.00 N ATOM 383 CA ALA A 25 -8.416 -3.640 -0.588 1.00 0.00 C ATOM 384 C ALA A 25 -8.138 -2.726 0.608 1.00 0.00 C ATOM 385 O ALA A 25 -7.934 -1.535 0.460 1.00 0.00 O ATOM 386 CB ALA A 25 -9.883 -4.081 -0.599 1.00 0.00 C ATOM 0 H ALA A 25 -8.175 -5.758 -0.465 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.159 -3.083 -1.489 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.525 -3.206 -0.695 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.055 -4.752 -1.441 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.114 -4.600 0.331 1.00 0.00 H new ATOM 392 N GLU A 26 -8.110 -3.289 1.790 1.00 0.00 N ATOM 393 CA GLU A 26 -7.823 -2.471 3.004 1.00 0.00 C ATOM 394 C GLU A 26 -6.356 -2.052 2.988 1.00 0.00 C ATOM 395 O GLU A 26 -6.026 -0.909 3.239 1.00 0.00 O ATOM 396 CB GLU A 26 -8.111 -3.391 4.190 1.00 0.00 C ATOM 397 CG GLU A 26 -7.953 -2.608 5.494 1.00 0.00 C ATOM 398 CD GLU A 26 -9.227 -1.807 5.766 1.00 0.00 C ATOM 399 OE1 GLU A 26 -10.296 -2.316 5.472 1.00 0.00 O ATOM 400 OE2 GLU A 26 -9.112 -0.698 6.262 1.00 0.00 O ATOM 0 H GLU A 26 -8.274 -4.280 1.965 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.425 -1.564 3.054 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.121 -3.793 4.115 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.428 -4.241 4.179 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.758 -3.292 6.320 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.097 -1.937 5.426 1.00 0.00 H new ATOM 407 N ALA A 27 -5.468 -2.966 2.676 1.00 0.00 N ATOM 408 CA ALA A 27 -4.011 -2.617 2.620 1.00 0.00 C ATOM 409 C ALA A 27 -3.801 -1.431 1.677 1.00 0.00 C ATOM 410 O ALA A 27 -3.057 -0.514 1.968 1.00 0.00 O ATOM 411 CB ALA A 27 -3.308 -3.858 2.063 1.00 0.00 C ATOM 0 H ALA A 27 -5.688 -3.938 2.458 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.621 -2.339 3.599 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.236 -3.670 1.996 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.487 -4.705 2.725 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.699 -4.083 1.071 1.00 0.00 H new ATOM 417 N GLU A 28 -4.471 -1.445 0.550 1.00 0.00 N ATOM 418 CA GLU A 28 -4.328 -0.322 -0.421 1.00 0.00 C ATOM 419 C GLU A 28 -4.765 0.992 0.229 1.00 0.00 C ATOM 420 O GLU A 28 -4.128 2.006 0.044 1.00 0.00 O ATOM 421 CB GLU A 28 -5.235 -0.674 -1.602 1.00 0.00 C ATOM 422 CG GLU A 28 -4.763 0.082 -2.851 1.00 0.00 C ATOM 423 CD GLU A 28 -5.880 0.083 -3.897 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.365 -0.989 -4.218 1.00 0.00 O ATOM 425 OE2 GLU A 28 -6.229 1.157 -4.359 1.00 0.00 O ATOM 0 H GLU A 28 -5.110 -2.187 0.263 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.295 -0.191 -0.743 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.213 -1.748 -1.784 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.268 -0.411 -1.373 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.493 1.105 -2.590 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.869 -0.389 -3.258 1.00 0.00 H new ATOM 432 N LYS A 29 -5.837 0.987 0.994 1.00 0.00 N ATOM 433 CA LYS A 29 -6.279 2.256 1.647 1.00 0.00 C ATOM 434 C LYS A 29 -5.318 2.606 2.801 1.00 0.00 C ATOM 435 O LYS A 29 -5.008 3.765 3.027 1.00 0.00 O ATOM 436 CB LYS A 29 -7.751 2.018 2.079 1.00 0.00 C ATOM 437 CG LYS A 29 -7.883 1.320 3.451 1.00 0.00 C ATOM 438 CD LYS A 29 -8.546 2.270 4.457 1.00 0.00 C ATOM 439 CE LYS A 29 -7.680 3.523 4.641 1.00 0.00 C ATOM 440 NZ LYS A 29 -6.598 3.109 5.580 1.00 0.00 N ATOM 0 H LYS A 29 -6.414 0.169 1.189 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.246 3.123 0.988 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.270 2.976 2.115 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.251 1.413 1.322 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.476 0.411 3.351 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.899 1.021 3.813 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.538 2.552 4.105 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.679 1.765 5.414 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.269 3.862 3.690 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.262 4.349 5.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.765 3.715 5.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.933 3.205 6.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.341 2.118 5.398 1.00 0.00 H new ATOM 454 N ILE A 30 -4.806 1.615 3.494 1.00 0.00 N ATOM 455 CA ILE A 30 -3.833 1.896 4.591 1.00 0.00 C ATOM 456 C ILE A 30 -2.559 2.433 3.951 1.00 0.00 C ATOM 457 O ILE A 30 -1.949 3.371 4.427 1.00 0.00 O ATOM 458 CB ILE A 30 -3.571 0.551 5.274 1.00 0.00 C ATOM 459 CG1 ILE A 30 -4.879 0.001 5.845 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.562 0.740 6.411 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.748 -1.509 6.052 1.00 0.00 C ATOM 0 H ILE A 30 -5.021 0.629 3.346 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.196 2.625 5.315 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.169 -0.151 4.543 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.110 0.490 6.791 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.704 0.216 5.166 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.377 -0.218 6.896 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.627 1.129 6.007 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.963 1.444 7.140 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.679 -1.903 6.459 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.537 -1.990 5.097 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.934 -1.712 6.748 1.00 0.00 H new ATOM 473 N PHE A 31 -2.180 1.844 2.848 1.00 0.00 N ATOM 474 CA PHE A 31 -0.967 2.305 2.122 1.00 0.00 C ATOM 475 C PHE A 31 -1.275 3.638 1.427 1.00 0.00 C ATOM 476 O PHE A 31 -0.446 4.526 1.370 1.00 0.00 O ATOM 477 CB PHE A 31 -0.678 1.208 1.088 1.00 0.00 C ATOM 478 CG PHE A 31 0.065 0.061 1.736 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.220 0.308 2.489 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.397 -1.253 1.573 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.912 -0.757 3.079 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.296 -2.316 2.164 1.00 0.00 C ATOM 483 CZ PHE A 31 1.450 -2.068 2.916 1.00 0.00 C ATOM 0 H PHE A 31 -2.665 1.057 2.418 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.113 2.466 2.780 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.613 0.848 0.658 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.087 1.617 0.269 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.577 1.320 2.615 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.287 -1.445 0.992 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.802 -0.567 3.660 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.060 -3.328 2.040 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.984 -2.889 3.371 1.00 0.00 H new ATOM 493 N LYS A 32 -2.468 3.775 0.895 1.00 0.00 N ATOM 494 CA LYS A 32 -2.852 5.038 0.197 1.00 0.00 C ATOM 495 C LYS A 32 -3.085 6.182 1.194 1.00 0.00 C ATOM 496 O LYS A 32 -3.274 7.318 0.799 1.00 0.00 O ATOM 497 CB LYS A 32 -4.146 4.721 -0.554 1.00 0.00 C ATOM 498 CG LYS A 32 -3.819 3.948 -1.836 1.00 0.00 C ATOM 499 CD LYS A 32 -3.768 4.916 -3.022 1.00 0.00 C ATOM 500 CE LYS A 32 -5.179 5.433 -3.323 1.00 0.00 C ATOM 501 NZ LYS A 32 -5.008 6.892 -3.574 1.00 0.00 N ATOM 0 H LYS A 32 -3.194 3.059 0.916 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.058 5.368 -0.473 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.811 4.132 0.078 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.672 5.644 -0.798 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.862 3.436 -1.730 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.573 3.181 -2.012 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.104 5.750 -2.795 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.359 4.413 -3.898 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.607 4.931 -4.190 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.853 5.253 -2.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.932 7.318 -3.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.605 7.345 -2.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.367 7.033 -4.381 1.00 0.00 H new ATOM 515 N GLN A 33 -3.027 5.912 2.478 1.00 0.00 N ATOM 516 CA GLN A 33 -3.194 7.007 3.483 1.00 0.00 C ATOM 517 C GLN A 33 -1.806 7.258 4.039 1.00 0.00 C ATOM 518 O GLN A 33 -1.323 8.369 4.129 1.00 0.00 O ATOM 519 CB GLN A 33 -4.128 6.453 4.554 1.00 0.00 C ATOM 520 CG GLN A 33 -5.563 6.898 4.264 1.00 0.00 C ATOM 521 CD GLN A 33 -5.786 8.301 4.832 1.00 0.00 C ATOM 522 OE1 GLN A 33 -4.949 9.168 4.685 1.00 0.00 O ATOM 523 NE2 GLN A 33 -6.890 8.563 5.477 1.00 0.00 N ATOM 0 H GLN A 33 -2.872 4.983 2.870 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.608 7.934 3.087 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.071 5.365 4.573 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.819 6.806 5.538 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.746 6.896 3.189 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -6.269 6.197 4.709 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.593 7.835 5.601 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.049 9.496 5.857 1.00 0.00 H new ATOM 532 N TYR A 34 -1.150 6.176 4.335 1.00 0.00 N ATOM 533 CA TYR A 34 0.256 6.197 4.815 1.00 0.00 C ATOM 534 C TYR A 34 1.112 7.039 3.838 1.00 0.00 C ATOM 535 O TYR A 34 2.079 7.670 4.218 1.00 0.00 O ATOM 536 CB TYR A 34 0.601 4.696 4.762 1.00 0.00 C ATOM 537 CG TYR A 34 2.094 4.455 4.643 1.00 0.00 C ATOM 538 CD1 TYR A 34 2.883 4.381 5.797 1.00 0.00 C ATOM 539 CD2 TYR A 34 2.680 4.305 3.382 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.261 4.158 5.688 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.058 4.081 3.273 1.00 0.00 C ATOM 542 CZ TYR A 34 4.848 4.007 4.426 1.00 0.00 C ATOM 543 OH TYR A 34 6.206 3.786 4.320 1.00 0.00 O ATOM 0 H TYR A 34 -1.548 5.240 4.261 1.00 0.00 H new ATOM 0 HA TYR A 34 0.424 6.638 5.797 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.226 4.207 5.661 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.092 4.238 3.914 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.429 4.496 6.770 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.070 4.362 2.493 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.871 4.102 6.577 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.511 3.965 2.299 1.00 0.00 H new ATOM 0 HH TYR A 34 6.605 3.763 5.215 1.00 0.00 H new ATOM 553 N ALA A 35 0.736 7.043 2.581 1.00 0.00 N ATOM 554 CA ALA A 35 1.484 7.834 1.555 1.00 0.00 C ATOM 555 C ALA A 35 1.148 9.322 1.684 1.00 0.00 C ATOM 556 O ALA A 35 2.022 10.166 1.734 1.00 0.00 O ATOM 557 CB ALA A 35 0.989 7.304 0.207 1.00 0.00 C ATOM 0 H ALA A 35 -0.066 6.526 2.220 1.00 0.00 H new ATOM 0 HA ALA A 35 2.563 7.734 1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.492 7.836 -0.600 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.209 6.239 0.132 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.087 7.459 0.128 1.00 0.00 H new ATOM 563 N ASN A 36 -0.120 9.644 1.730 1.00 0.00 N ATOM 564 CA ASN A 36 -0.540 11.078 1.847 1.00 0.00 C ATOM 565 C ASN A 36 0.066 11.718 3.097 1.00 0.00 C ATOM 566 O ASN A 36 0.615 12.803 3.045 1.00 0.00 O ATOM 567 CB ASN A 36 -2.062 11.042 1.958 1.00 0.00 C ATOM 568 CG ASN A 36 -2.676 10.981 0.557 1.00 0.00 C ATOM 569 OD1 ASN A 36 -3.214 11.958 0.076 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.618 9.868 -0.123 1.00 0.00 N ATOM 0 H ASN A 36 -0.888 8.974 1.691 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.203 11.668 0.995 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.374 10.176 2.541 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.420 11.927 2.485 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.024 9.819 -1.057 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.166 9.047 0.280 1.00 0.00 H new ATOM 577 N ASP A 37 -0.030 11.053 4.222 1.00 0.00 N ATOM 578 CA ASP A 37 0.539 11.618 5.491 1.00 0.00 C ATOM 579 C ASP A 37 2.009 12.007 5.305 1.00 0.00 C ATOM 580 O ASP A 37 2.531 12.857 6.002 1.00 0.00 O ATOM 581 CB ASP A 37 0.410 10.496 6.524 1.00 0.00 C ATOM 582 CG ASP A 37 0.022 11.089 7.879 1.00 0.00 C ATOM 583 OD1 ASP A 37 -1.084 11.595 7.988 1.00 0.00 O ATOM 584 OD2 ASP A 37 0.835 11.029 8.786 1.00 0.00 O ATOM 0 H ASP A 37 -0.478 10.142 4.319 1.00 0.00 H new ATOM 0 HA ASP A 37 0.014 12.522 5.800 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.342 9.776 6.202 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.353 9.956 6.609 1.00 0.00 H new ATOM 589 N ASN A 38 2.671 11.389 4.368 1.00 0.00 N ATOM 590 CA ASN A 38 4.098 11.701 4.114 1.00 0.00 C ATOM 591 C ASN A 38 4.239 12.586 2.870 1.00 0.00 C ATOM 592 O ASN A 38 5.182 13.343 2.743 1.00 0.00 O ATOM 593 CB ASN A 38 4.763 10.342 3.891 1.00 0.00 C ATOM 594 CG ASN A 38 5.068 9.694 5.244 1.00 0.00 C ATOM 595 OD1 ASN A 38 5.645 10.318 6.112 1.00 0.00 O ATOM 596 ND2 ASN A 38 4.700 8.461 5.460 1.00 0.00 N ATOM 0 H ASN A 38 2.275 10.671 3.761 1.00 0.00 H new ATOM 0 HA ASN A 38 4.555 12.248 4.938 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.108 9.696 3.306 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.683 10.465 3.319 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.897 8.020 6.358 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.216 7.938 4.730 1.00 0.00 H new ATOM 603 N GLY A 39 3.307 12.492 1.953 1.00 0.00 N ATOM 604 CA GLY A 39 3.379 13.322 0.712 1.00 0.00 C ATOM 605 C GLY A 39 3.703 12.423 -0.483 1.00 0.00 C ATOM 606 O GLY A 39 4.405 12.815 -1.395 1.00 0.00 O ATOM 0 H GLY A 39 2.498 11.874 2.012 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.431 13.835 0.549 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.143 14.092 0.820 1.00 0.00 H new ATOM 610 N ILE A 40 3.197 11.218 -0.476 1.00 0.00 N ATOM 611 CA ILE A 40 3.464 10.271 -1.596 1.00 0.00 C ATOM 612 C ILE A 40 2.299 10.338 -2.592 1.00 0.00 C ATOM 613 O ILE A 40 1.208 9.874 -2.322 1.00 0.00 O ATOM 614 CB ILE A 40 3.591 8.907 -0.882 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.034 8.714 -0.425 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.208 7.727 -1.778 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.361 9.754 0.640 1.00 0.00 C ATOM 0 H ILE A 40 2.604 10.847 0.266 1.00 0.00 H new ATOM 0 HA ILE A 40 4.357 10.484 -2.184 1.00 0.00 H new ATOM 0 HB ILE A 40 2.900 8.923 -0.039 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.171 7.709 -0.025 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.714 8.815 -1.271 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.317 6.797 -1.221 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.173 7.837 -2.101 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.861 7.706 -2.651 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.391 9.623 0.972 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.239 10.753 0.222 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.688 9.630 1.488 1.00 0.00 H new ATOM 629 N ASP A 41 2.532 10.933 -3.731 1.00 0.00 N ATOM 630 CA ASP A 41 1.442 11.056 -4.749 1.00 0.00 C ATOM 631 C ASP A 41 1.963 10.781 -6.166 1.00 0.00 C ATOM 632 O ASP A 41 2.749 11.533 -6.710 1.00 0.00 O ATOM 633 CB ASP A 41 0.949 12.504 -4.627 1.00 0.00 C ATOM 634 CG ASP A 41 2.103 13.478 -4.890 1.00 0.00 C ATOM 635 OD1 ASP A 41 2.847 13.748 -3.962 1.00 0.00 O ATOM 636 OD2 ASP A 41 2.221 13.935 -6.015 1.00 0.00 O ATOM 0 H ASP A 41 3.427 11.339 -4.003 1.00 0.00 H new ATOM 0 HA ASP A 41 0.648 10.330 -4.575 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.143 12.683 -5.338 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.539 12.674 -3.631 1.00 0.00 H new ATOM 641 N GLY A 42 1.512 9.709 -6.768 1.00 0.00 N ATOM 642 CA GLY A 42 1.949 9.369 -8.154 1.00 0.00 C ATOM 643 C GLY A 42 1.023 8.289 -8.721 1.00 0.00 C ATOM 644 O GLY A 42 -0.132 8.542 -9.008 1.00 0.00 O ATOM 0 H GLY A 42 0.854 9.050 -6.353 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.922 10.257 -8.785 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.980 9.015 -8.147 1.00 0.00 H new ATOM 648 N GLU A 43 1.520 7.088 -8.883 1.00 0.00 N ATOM 649 CA GLU A 43 0.667 5.984 -9.431 1.00 0.00 C ATOM 650 C GLU A 43 0.454 4.897 -8.369 1.00 0.00 C ATOM 651 O GLU A 43 1.026 4.952 -7.302 1.00 0.00 O ATOM 652 CB GLU A 43 1.451 5.427 -10.619 1.00 0.00 C ATOM 653 CG GLU A 43 0.484 5.081 -11.754 1.00 0.00 C ATOM 654 CD GLU A 43 1.280 4.711 -13.007 1.00 0.00 C ATOM 655 OE1 GLU A 43 2.037 3.756 -12.944 1.00 0.00 O ATOM 656 OE2 GLU A 43 1.120 5.390 -14.009 1.00 0.00 O ATOM 0 H GLU A 43 2.479 6.823 -8.660 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.322 6.336 -9.725 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.182 6.159 -10.961 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.006 4.539 -10.317 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.157 4.250 -11.459 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.168 5.929 -11.962 1.00 0.00 H new ATOM 663 N TRP A 44 -0.366 3.915 -8.659 1.00 0.00 N ATOM 664 CA TRP A 44 -0.631 2.814 -7.673 1.00 0.00 C ATOM 665 C TRP A 44 -0.997 1.527 -8.408 1.00 0.00 C ATOM 666 O TRP A 44 -1.852 1.521 -9.274 1.00 0.00 O ATOM 667 CB TRP A 44 -1.830 3.289 -6.852 1.00 0.00 C ATOM 668 CG TRP A 44 -1.360 4.123 -5.714 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.153 5.458 -5.747 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.042 3.689 -4.370 1.00 0.00 C ATOM 671 NE1 TRP A 44 -0.716 5.869 -4.501 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.631 4.813 -3.618 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.067 2.435 -3.741 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.255 4.696 -2.284 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.689 2.313 -2.395 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.283 3.445 -1.669 1.00 0.00 C ATOM 0 H TRP A 44 -0.868 3.827 -9.543 1.00 0.00 H new ATOM 0 HA TRP A 44 0.242 2.607 -7.054 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.509 3.865 -7.481 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.391 2.432 -6.480 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.304 6.098 -6.604 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.485 6.834 -4.264 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.378 1.561 -4.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.056 5.568 -1.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.710 1.345 -1.916 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.008 3.346 -0.634 1.00 0.00 H new ATOM 687 N THR A 45 -0.367 0.437 -8.059 1.00 0.00 N ATOM 688 CA THR A 45 -0.689 -0.859 -8.730 1.00 0.00 C ATOM 689 C THR A 45 -0.624 -1.983 -7.709 1.00 0.00 C ATOM 690 O THR A 45 0.316 -2.078 -6.945 1.00 0.00 O ATOM 691 CB THR A 45 0.369 -1.081 -9.826 1.00 0.00 C ATOM 692 OG1 THR A 45 1.575 -1.550 -9.242 1.00 0.00 O ATOM 693 CG2 THR A 45 0.641 0.222 -10.577 1.00 0.00 C ATOM 0 H THR A 45 0.355 0.386 -7.340 1.00 0.00 H new ATOM 0 HA THR A 45 -1.689 -0.841 -9.163 1.00 0.00 H new ATOM 0 HB THR A 45 -0.010 -1.823 -10.529 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.500 -1.516 -8.265 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.391 0.048 -11.348 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.281 0.574 -11.040 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.007 0.975 -9.879 1.00 0.00 H new ATOM 701 N TYR A 46 -1.609 -2.835 -7.695 1.00 0.00 N ATOM 702 CA TYR A 46 -1.606 -3.964 -6.723 1.00 0.00 C ATOM 703 C TYR A 46 -1.022 -5.219 -7.385 1.00 0.00 C ATOM 704 O TYR A 46 -1.214 -5.462 -8.562 1.00 0.00 O ATOM 705 CB TYR A 46 -3.077 -4.167 -6.322 1.00 0.00 C ATOM 706 CG TYR A 46 -3.216 -5.448 -5.525 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.461 -5.628 -4.362 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.079 -6.459 -5.963 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.569 -6.818 -3.634 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.185 -7.651 -5.236 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.432 -7.830 -4.071 1.00 0.00 C ATOM 712 OH TYR A 46 -3.537 -9.005 -3.357 1.00 0.00 O ATOM 0 H TYR A 46 -2.418 -2.799 -8.315 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.991 -3.760 -5.847 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.423 -3.320 -5.730 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.704 -4.211 -7.212 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.794 -4.848 -4.025 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.663 -6.320 -6.861 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.987 -6.956 -2.735 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.849 -8.433 -5.575 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.799 -9.732 -3.960 1.00 0.00 H new ATOM 722 N ASP A 47 -0.321 -6.016 -6.623 1.00 0.00 N ATOM 723 CA ASP A 47 0.272 -7.266 -7.177 1.00 0.00 C ATOM 724 C ASP A 47 -0.324 -8.476 -6.457 1.00 0.00 C ATOM 725 O ASP A 47 0.100 -8.840 -5.374 1.00 0.00 O ATOM 726 CB ASP A 47 1.772 -7.155 -6.901 1.00 0.00 C ATOM 727 CG ASP A 47 2.521 -8.196 -7.736 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.500 -9.356 -7.358 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.104 -7.815 -8.738 1.00 0.00 O ATOM 0 H ASP A 47 -0.133 -5.853 -5.634 1.00 0.00 H new ATOM 0 HA ASP A 47 0.071 -7.391 -8.241 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.125 -6.153 -7.147 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.970 -7.312 -5.841 1.00 0.00 H new ATOM 734 N ASP A 48 -1.310 -9.101 -7.056 1.00 0.00 N ATOM 735 CA ASP A 48 -1.956 -10.293 -6.419 1.00 0.00 C ATOM 736 C ASP A 48 -1.021 -11.515 -6.422 1.00 0.00 C ATOM 737 O ASP A 48 -1.347 -12.546 -5.865 1.00 0.00 O ATOM 738 CB ASP A 48 -3.198 -10.574 -7.268 1.00 0.00 C ATOM 739 CG ASP A 48 -4.120 -11.541 -6.523 1.00 0.00 C ATOM 740 OD1 ASP A 48 -4.309 -11.350 -5.333 1.00 0.00 O ATOM 741 OD2 ASP A 48 -4.622 -12.455 -7.155 1.00 0.00 O ATOM 0 H ASP A 48 -1.696 -8.836 -7.962 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.198 -10.099 -5.374 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.725 -9.643 -7.479 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.906 -11.000 -8.228 1.00 0.00 H new ATOM 746 N ALA A 49 0.132 -11.407 -7.034 1.00 0.00 N ATOM 747 CA ALA A 49 1.082 -12.557 -7.061 1.00 0.00 C ATOM 748 C ALA A 49 2.058 -12.448 -5.889 1.00 0.00 C ATOM 749 O ALA A 49 2.571 -13.440 -5.404 1.00 0.00 O ATOM 750 CB ALA A 49 1.824 -12.428 -8.393 1.00 0.00 C ATOM 0 H ALA A 49 0.455 -10.569 -7.517 1.00 0.00 H new ATOM 0 HA ALA A 49 0.577 -13.519 -6.972 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.544 -13.241 -8.489 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.109 -12.478 -9.214 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.348 -11.473 -8.426 1.00 0.00 H new ATOM 756 N THR A 50 2.304 -11.249 -5.421 1.00 0.00 N ATOM 757 CA THR A 50 3.230 -11.065 -4.268 1.00 0.00 C ATOM 758 C THR A 50 2.538 -10.267 -3.155 1.00 0.00 C ATOM 759 O THR A 50 3.158 -9.890 -2.180 1.00 0.00 O ATOM 760 CB THR A 50 4.417 -10.280 -4.830 1.00 0.00 C ATOM 761 OG1 THR A 50 3.957 -9.046 -5.364 1.00 0.00 O ATOM 762 CG2 THR A 50 5.093 -11.097 -5.933 1.00 0.00 C ATOM 0 H THR A 50 1.900 -10.389 -5.791 1.00 0.00 H new ATOM 0 HA THR A 50 3.540 -12.015 -3.834 1.00 0.00 H new ATOM 0 HB THR A 50 5.135 -10.085 -4.034 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.036 -9.150 -5.683 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.939 -10.538 -6.334 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.445 -12.043 -5.521 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.377 -11.293 -6.731 1.00 0.00 H new ATOM 770 N LYS A 51 1.252 -9.998 -3.294 1.00 0.00 N ATOM 771 CA LYS A 51 0.517 -9.217 -2.245 1.00 0.00 C ATOM 772 C LYS A 51 1.234 -7.892 -1.977 1.00 0.00 C ATOM 773 O LYS A 51 1.329 -7.444 -0.850 1.00 0.00 O ATOM 774 CB LYS A 51 0.523 -10.093 -0.986 1.00 0.00 C ATOM 775 CG LYS A 51 -0.149 -11.439 -1.282 1.00 0.00 C ATOM 776 CD LYS A 51 -1.604 -11.406 -0.805 1.00 0.00 C ATOM 777 CE LYS A 51 -2.257 -12.774 -1.039 1.00 0.00 C ATOM 778 NZ LYS A 51 -2.465 -13.344 0.323 1.00 0.00 N ATOM 0 H LYS A 51 0.684 -10.288 -4.090 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.499 -8.978 -2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.547 -10.254 -0.650 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.002 -9.585 -0.177 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.111 -11.648 -2.351 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.390 -12.243 -0.781 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.644 -11.150 0.254 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.155 -10.633 -1.341 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.202 -12.673 -1.573 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.617 -13.418 -1.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.909 -14.281 0.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.548 -13.435 0.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.084 -12.714 0.872 1.00 0.00 H new ATOM 792 N THR A 52 1.749 -7.273 -3.009 1.00 0.00 N ATOM 793 CA THR A 52 2.473 -5.979 -2.819 1.00 0.00 C ATOM 794 C THR A 52 1.965 -4.927 -3.807 1.00 0.00 C ATOM 795 O THR A 52 1.811 -5.193 -4.985 1.00 0.00 O ATOM 796 CB THR A 52 3.942 -6.309 -3.094 1.00 0.00 C ATOM 797 OG1 THR A 52 4.322 -7.439 -2.322 1.00 0.00 O ATOM 798 CG2 THR A 52 4.821 -5.112 -2.717 1.00 0.00 C ATOM 0 H THR A 52 1.700 -7.606 -3.972 1.00 0.00 H new ATOM 0 HA THR A 52 2.323 -5.567 -1.821 1.00 0.00 H new ATOM 0 HB THR A 52 4.072 -6.529 -4.154 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.800 -8.219 -2.605 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.866 -5.351 -2.914 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.529 -4.245 -3.310 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.694 -4.887 -1.658 1.00 0.00 H new ATOM 806 N PHE A 53 1.710 -3.731 -3.336 1.00 0.00 N ATOM 807 CA PHE A 53 1.217 -2.653 -4.244 1.00 0.00 C ATOM 808 C PHE A 53 2.414 -1.910 -4.862 1.00 0.00 C ATOM 809 O PHE A 53 3.537 -2.372 -4.774 1.00 0.00 O ATOM 810 CB PHE A 53 0.379 -1.734 -3.351 1.00 0.00 C ATOM 811 CG PHE A 53 -0.893 -2.444 -2.936 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.855 -3.429 -1.938 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.114 -2.120 -3.546 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.032 -4.085 -1.551 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.288 -2.779 -3.158 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.247 -3.759 -2.161 1.00 0.00 C ATOM 0 H PHE A 53 1.823 -3.456 -2.360 1.00 0.00 H new ATOM 0 HA PHE A 53 0.626 -3.034 -5.077 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.951 -1.448 -2.469 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.136 -0.815 -3.885 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.083 -3.683 -1.467 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.149 -1.362 -4.315 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.000 -4.842 -0.782 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.227 -2.530 -3.630 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.154 -4.264 -1.862 1.00 0.00 H new ATOM 826 N THR A 54 2.199 -0.765 -5.481 1.00 0.00 N ATOM 827 CA THR A 54 3.335 -0.017 -6.088 1.00 0.00 C ATOM 828 C THR A 54 2.934 1.442 -6.180 1.00 0.00 C ATOM 829 O THR A 54 2.301 1.865 -7.130 1.00 0.00 O ATOM 830 CB THR A 54 3.543 -0.610 -7.484 1.00 0.00 C ATOM 831 OG1 THR A 54 3.258 -2.004 -7.466 1.00 0.00 O ATOM 832 CG2 THR A 54 4.994 -0.393 -7.918 1.00 0.00 C ATOM 0 H THR A 54 1.285 -0.325 -5.587 1.00 0.00 H new ATOM 0 HA THR A 54 4.253 -0.092 -5.506 1.00 0.00 H new ATOM 0 HB THR A 54 2.872 -0.116 -8.187 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.978 -2.292 -8.360 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.143 -0.815 -8.912 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.211 0.675 -7.941 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.663 -0.884 -7.211 1.00 0.00 H new ATOM 840 N VAL A 55 3.270 2.201 -5.181 1.00 0.00 N ATOM 841 CA VAL A 55 2.883 3.639 -5.175 1.00 0.00 C ATOM 842 C VAL A 55 4.000 4.519 -5.747 1.00 0.00 C ATOM 843 O VAL A 55 4.970 4.835 -5.088 1.00 0.00 O ATOM 844 CB VAL A 55 2.545 3.995 -3.707 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.660 3.555 -2.749 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.333 5.507 -3.572 1.00 0.00 C ATOM 0 H VAL A 55 3.797 1.890 -4.365 1.00 0.00 H new ATOM 0 HA VAL A 55 2.020 3.820 -5.815 1.00 0.00 H new ATOM 0 HB VAL A 55 1.632 3.463 -3.440 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.388 3.821 -1.728 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.795 2.476 -2.819 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.590 4.055 -3.019 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.096 5.750 -2.536 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.242 6.030 -3.868 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.510 5.818 -4.216 1.00 0.00 H new ATOM 856 N THR A 56 3.832 4.936 -6.973 1.00 0.00 N ATOM 857 CA THR A 56 4.834 5.827 -7.617 1.00 0.00 C ATOM 858 C THR A 56 4.540 7.269 -7.168 1.00 0.00 C ATOM 859 O THR A 56 3.515 7.535 -6.568 1.00 0.00 O ATOM 860 CB THR A 56 4.610 5.608 -9.133 1.00 0.00 C ATOM 861 OG1 THR A 56 5.345 4.470 -9.555 1.00 0.00 O ATOM 862 CG2 THR A 56 5.062 6.823 -9.956 1.00 0.00 C ATOM 0 H THR A 56 3.034 4.694 -7.560 1.00 0.00 H new ATOM 0 HA THR A 56 5.873 5.625 -7.355 1.00 0.00 H new ATOM 0 HB THR A 56 3.542 5.462 -9.296 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.188 4.758 -9.963 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.888 6.630 -11.015 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.495 7.702 -9.649 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.124 7.001 -9.789 1.00 0.00 H new ATOM 870 N GLU A 57 5.427 8.191 -7.447 1.00 0.00 N ATOM 871 CA GLU A 57 5.192 9.607 -7.033 1.00 0.00 C ATOM 872 C GLU A 57 5.571 10.560 -8.170 1.00 0.00 C ATOM 873 O GLU A 57 6.755 10.696 -8.432 1.00 0.00 O ATOM 874 CB GLU A 57 6.105 9.824 -5.824 1.00 0.00 C ATOM 875 CG GLU A 57 5.760 11.155 -5.143 1.00 0.00 C ATOM 876 CD GLU A 57 6.835 12.197 -5.468 1.00 0.00 C ATOM 877 OE1 GLU A 57 7.115 12.385 -6.640 1.00 0.00 O ATOM 878 OE2 GLU A 57 7.361 12.787 -4.537 1.00 0.00 O ATOM 879 OXT GLU A 57 4.671 11.134 -8.760 1.00 0.00 O ATOM 0 H GLU A 57 6.303 8.024 -7.943 1.00 0.00 H new ATOM 0 HA GLU A 57 4.146 9.799 -6.793 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.989 9.003 -5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.148 9.827 -6.140 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.786 11.506 -5.483 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.690 11.015 -4.064 1.00 0.00 H new