USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 610 hydrogens (32 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 NoAdj-H: A 15 HIS HE2 : A 15 HIS NE2 : A 90 HECFE :(H bumps) USER MOD NoAdj-H: A 90 HEC HAC : A 90 HEC CAC : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 90 HEC HAB : A 90 HEC CAB : A 11 CYS SG :(H bumps) USER MOD Set 1.1: A 51 ASN :FLIP amide:sc= 0.0601 F(o=-1,f=0.06) USER MOD Set 1.2: A 90 HEC O2D : rot 178:sc= 0 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 TYR OH : rot 133:sc= 0.0212 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 ALA N :NH3+ 145:sc= 1.31 (180deg=0.731) USER MOD Single : A 12 THR OG1 : rot -28:sc= 0.248 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.047) USER MOD Single : A 27 ASN : amide:sc= 0.492 K(o=0.49,f=-2.2!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.0823 F(o=-2.5!,f=-0.082) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -168:sc= -0.818 (180deg=-0.86) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.041 USER MOD Single : A 63 THR OG1 : rot -79:sc= 1.71 USER MOD Single : A 67 TYR OH : rot 29:sc= 1.17 USER MOD Single : A 68 LYS NZ :NH3+ -150:sc= 1.3 (180deg=1.04) USER MOD Single : A 74 MET CE :methyl 164:sc= 0 (180deg=-0.148) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -168:sc= 0.954 (180deg=0.314) USER MOD Single : A 90 HEC O2A : rot -140:sc= -1.13 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A -3 0.985 -6.671 -16.168 1.00 10.00 N ATOM 2 CA ALA A -3 0.977 -5.191 -16.027 1.00 10.00 C ATOM 3 C ALA A -3 2.352 -4.620 -15.617 1.00 10.00 C ATOM 4 O ALA A -3 3.132 -4.249 -16.487 1.00 10.00 O ATOM 5 CB ALA A -3 -0.139 -4.750 -15.079 1.00 10.00 C ATOM 0 H1 ALA A -3 0.069 -7.054 -15.858 1.00 10.00 H new ATOM 0 H2 ALA A -3 1.147 -6.924 -17.164 1.00 10.00 H new ATOM 0 H3 ALA A -3 1.744 -7.072 -15.581 1.00 10.00 H new ATOM 0 HA ALA A -3 0.770 -4.771 -17.011 1.00 10.00 H new ATOM 0 HB1 ALA A -3 -0.130 -3.664 -14.987 1.00 10.00 H new ATOM 0 HB2 ALA A -3 -1.102 -5.073 -15.475 1.00 10.00 H new ATOM 0 HB3 ALA A -3 0.019 -5.198 -14.098 1.00 10.00 H new ATOM 13 N ASP A -2 2.664 -4.618 -14.315 1.00 10.00 N ATOM 14 CA ASP A -2 3.911 -4.112 -13.739 1.00 10.00 C ATOM 15 C ASP A -2 4.060 -4.715 -12.332 1.00 10.00 C ATOM 16 O ASP A -2 3.390 -4.298 -11.388 1.00 10.00 O ATOM 17 CB ASP A -2 3.900 -2.571 -13.705 1.00 10.00 C ATOM 18 CG ASP A -2 5.243 -1.982 -13.283 1.00 10.00 C ATOM 19 OD1 ASP A -2 6.052 -2.739 -12.702 1.00 10.00 O ATOM 20 OD2 ASP A -2 5.436 -0.779 -13.568 1.00 10.00 O ATOM 0 H ASP A -2 2.027 -4.984 -13.607 1.00 10.00 H new ATOM 0 HA ASP A -2 4.766 -4.406 -14.348 1.00 10.00 H new ATOM 0 HB2 ASP A -2 3.636 -2.192 -14.692 1.00 10.00 H new ATOM 0 HB3 ASP A -2 3.127 -2.232 -13.016 1.00 10.00 H new ATOM 25 N LEU A -1 4.861 -5.781 -12.237 1.00 10.00 N ATOM 26 CA LEU A -1 5.076 -6.544 -11.010 1.00 10.00 C ATOM 27 C LEU A -1 6.498 -7.091 -10.897 1.00 10.00 C ATOM 28 O LEU A -1 6.730 -8.142 -10.317 1.00 10.00 O ATOM 29 CB LEU A -1 3.977 -7.609 -10.835 1.00 10.00 C ATOM 30 CG LEU A -1 3.922 -8.817 -11.805 1.00 10.00 C ATOM 31 CD1 LEU A -1 4.542 -8.603 -13.190 1.00 10.00 C ATOM 32 CD2 LEU A -1 4.446 -10.114 -11.177 1.00 10.00 C ATOM 0 H LEU A -1 5.389 -6.143 -13.031 1.00 10.00 H new ATOM 0 HA LEU A -1 4.985 -5.861 -10.165 1.00 10.00 H new ATOM 0 HB2 LEU A -1 4.065 -8.006 -9.824 1.00 10.00 H new ATOM 0 HB3 LEU A -1 3.016 -7.099 -10.894 1.00 10.00 H new ATOM 0 HG LEU A -1 2.852 -8.917 -11.985 1.00 10.00 H new ATOM 0 HD11 LEU A -1 4.444 -9.516 -13.778 1.00 10.00 H new ATOM 0 HD12 LEU A -1 4.027 -7.787 -13.697 1.00 10.00 H new ATOM 0 HD13 LEU A -1 5.597 -8.353 -13.082 1.00 10.00 H new ATOM 0 HD21 LEU A -1 4.382 -10.923 -11.905 1.00 10.00 H new ATOM 0 HD22 LEU A -1 5.485 -9.979 -10.876 1.00 10.00 H new ATOM 0 HD23 LEU A -1 3.845 -10.364 -10.303 1.00 10.00 H new ATOM 44 N GLN A 1 7.465 -6.362 -11.455 1.00 10.00 N ATOM 45 CA GLN A 1 8.843 -6.840 -11.580 1.00 10.00 C ATOM 46 C GLN A 1 9.739 -6.307 -10.455 1.00 10.00 C ATOM 47 O GLN A 1 10.766 -6.907 -10.150 1.00 10.00 O ATOM 48 CB GLN A 1 9.383 -6.438 -12.968 1.00 10.00 C ATOM 49 CG GLN A 1 9.849 -7.631 -13.816 1.00 10.00 C ATOM 50 CD GLN A 1 11.244 -8.121 -13.449 1.00 10.00 C ATOM 51 OE1 GLN A 1 12.241 -7.507 -13.805 1.00 10.00 O ATOM 52 NE2 GLN A 1 11.351 -9.255 -12.772 1.00 10.00 N ATOM 0 H GLN A 1 7.316 -5.426 -11.832 1.00 10.00 H new ATOM 0 HA GLN A 1 8.851 -7.926 -11.486 1.00 10.00 H new ATOM 0 HB2 GLN A 1 8.605 -5.900 -13.509 1.00 10.00 H new ATOM 0 HB3 GLN A 1 10.216 -5.748 -12.838 1.00 10.00 H new ATOM 0 HG2 GLN A 1 9.140 -8.451 -13.698 1.00 10.00 H new ATOM 0 HG3 GLN A 1 9.836 -7.347 -14.868 1.00 10.00 H new ATOM 0 HE21 GLN A 1 10.512 -9.757 -12.481 1.00 10.00 H new ATOM 0 HE22 GLN A 1 12.273 -9.626 -12.541 1.00 10.00 H new ATOM 61 N ASP A 2 9.326 -5.201 -9.831 1.00 10.00 N ATOM 62 CA ASP A 2 9.945 -4.640 -8.649 1.00 10.00 C ATOM 63 C ASP A 2 8.838 -4.057 -7.758 1.00 10.00 C ATOM 64 O ASP A 2 8.037 -3.229 -8.194 1.00 10.00 O ATOM 65 CB ASP A 2 10.988 -3.602 -9.084 1.00 10.00 C ATOM 66 CG ASP A 2 11.771 -3.021 -7.919 1.00 10.00 C ATOM 67 OD1 ASP A 2 11.319 -3.209 -6.770 1.00 10.00 O ATOM 68 OD2 ASP A 2 12.796 -2.375 -8.209 1.00 10.00 O ATOM 0 H ASP A 2 8.523 -4.660 -10.153 1.00 10.00 H new ATOM 0 HA ASP A 2 10.473 -5.393 -8.063 1.00 10.00 H new ATOM 0 HB2 ASP A 2 11.682 -4.065 -9.786 1.00 10.00 H new ATOM 0 HB3 ASP A 2 10.487 -2.794 -9.617 1.00 10.00 H new ATOM 73 N ALA A 3 8.793 -4.492 -6.503 1.00 10.00 N ATOM 74 CA ALA A 3 7.961 -3.912 -5.464 1.00 10.00 C ATOM 75 C ALA A 3 8.100 -2.383 -5.382 1.00 10.00 C ATOM 76 O ALA A 3 7.101 -1.675 -5.224 1.00 10.00 O ATOM 77 CB ALA A 3 8.367 -4.590 -4.164 1.00 10.00 C ATOM 0 H ALA A 3 9.351 -5.280 -6.175 1.00 10.00 H new ATOM 0 HA ALA A 3 6.907 -4.081 -5.682 1.00 10.00 H new ATOM 0 HB1 ALA A 3 7.771 -4.191 -3.344 1.00 10.00 H new ATOM 0 HB2 ALA A 3 8.199 -5.664 -4.246 1.00 10.00 H new ATOM 0 HB3 ALA A 3 9.423 -4.402 -3.970 1.00 10.00 H new ATOM 83 N GLU A 4 9.324 -1.868 -5.549 1.00 10.00 N ATOM 84 CA GLU A 4 9.545 -0.435 -5.674 1.00 10.00 C ATOM 85 C GLU A 4 8.796 0.137 -6.881 1.00 10.00 C ATOM 86 O GLU A 4 8.090 1.131 -6.747 1.00 10.00 O ATOM 87 CB GLU A 4 11.041 -0.099 -5.678 1.00 10.00 C ATOM 88 CG GLU A 4 11.256 1.419 -5.843 1.00 10.00 C ATOM 89 CD GLU A 4 12.588 1.946 -5.315 1.00 10.00 C ATOM 90 OE1 GLU A 4 13.303 1.182 -4.631 1.00 10.00 O ATOM 91 OE2 GLU A 4 12.855 3.134 -5.591 1.00 10.00 O ATOM 0 H GLU A 4 10.174 -2.430 -5.600 1.00 10.00 H new ATOM 0 HA GLU A 4 9.127 0.054 -4.794 1.00 10.00 H new ATOM 0 HB2 GLU A 4 11.498 -0.437 -4.748 1.00 10.00 H new ATOM 0 HB3 GLU A 4 11.537 -0.632 -6.489 1.00 10.00 H new ATOM 0 HG2 GLU A 4 11.178 1.668 -6.901 1.00 10.00 H new ATOM 0 HG3 GLU A 4 10.448 1.942 -5.332 1.00 10.00 H new ATOM 98 N ALA A 5 8.854 -0.523 -8.040 1.00 10.00 N ATOM 99 CA ALA A 5 8.183 -0.034 -9.243 1.00 10.00 C ATOM 100 C ALA A 5 6.664 -0.099 -9.078 1.00 10.00 C ATOM 101 O ALA A 5 5.963 0.823 -9.491 1.00 10.00 O ATOM 102 CB ALA A 5 8.640 -0.819 -10.473 1.00 10.00 C ATOM 0 H ALA A 5 9.360 -1.399 -8.169 1.00 10.00 H new ATOM 0 HA ALA A 5 8.459 1.010 -9.391 1.00 10.00 H new ATOM 0 HB1 ALA A 5 8.129 -0.439 -11.358 1.00 10.00 H new ATOM 0 HB2 ALA A 5 9.717 -0.704 -10.599 1.00 10.00 H new ATOM 0 HB3 ALA A 5 8.401 -1.874 -10.341 1.00 10.00 H new ATOM 108 N ILE A 6 6.155 -1.106 -8.362 1.00 10.00 N ATOM 109 CA ILE A 6 4.722 -1.210 -8.127 1.00 10.00 C ATOM 110 C ILE A 6 4.281 -0.009 -7.290 1.00 10.00 C ATOM 111 O ILE A 6 3.398 0.735 -7.718 1.00 10.00 O ATOM 112 CB ILE A 6 4.406 -2.524 -7.384 1.00 10.00 C ATOM 113 CG1 ILE A 6 4.507 -3.728 -8.330 1.00 10.00 C ATOM 114 CG2 ILE A 6 2.986 -2.496 -6.784 1.00 10.00 C ATOM 115 CD1 ILE A 6 4.721 -5.036 -7.558 1.00 10.00 C ATOM 0 H ILE A 6 6.711 -1.850 -7.941 1.00 10.00 H new ATOM 0 HA ILE A 6 4.185 -1.215 -9.076 1.00 10.00 H new ATOM 0 HB ILE A 6 5.140 -2.621 -6.584 1.00 10.00 H new ATOM 0 HG12 ILE A 6 3.597 -3.801 -8.925 1.00 10.00 H new ATOM 0 HG13 ILE A 6 5.332 -3.576 -9.026 1.00 10.00 H new ATOM 0 HG21 ILE A 6 2.791 -3.435 -6.266 1.00 10.00 H new ATOM 0 HG22 ILE A 6 2.905 -1.669 -6.078 1.00 10.00 H new ATOM 0 HG23 ILE A 6 2.256 -2.364 -7.583 1.00 10.00 H new ATOM 0 HD11 ILE A 6 4.788 -5.867 -8.261 1.00 10.00 H new ATOM 0 HD12 ILE A 6 5.645 -4.972 -6.983 1.00 10.00 H new ATOM 0 HD13 ILE A 6 3.883 -5.200 -6.881 1.00 10.00 H new ATOM 127 N TYR A 7 4.922 0.260 -6.144 1.00 10.00 N ATOM 128 CA TYR A 7 4.452 1.389 -5.345 1.00 10.00 C ATOM 129 C TYR A 7 4.747 2.735 -6.022 1.00 10.00 C ATOM 130 O TYR A 7 3.901 3.623 -6.039 1.00 10.00 O ATOM 131 CB TYR A 7 4.871 1.302 -3.866 1.00 10.00 C ATOM 132 CG TYR A 7 6.092 2.111 -3.501 1.00 10.00 C ATOM 133 CD1 TYR A 7 6.001 3.509 -3.351 1.00 10.00 C ATOM 134 CD2 TYR A 7 7.337 1.476 -3.409 1.00 10.00 C ATOM 135 CE1 TYR A 7 7.170 4.281 -3.258 1.00 10.00 C ATOM 136 CE2 TYR A 7 8.502 2.252 -3.323 1.00 10.00 C ATOM 137 CZ TYR A 7 8.422 3.648 -3.258 1.00 10.00 C ATOM 138 OH TYR A 7 9.558 4.389 -3.178 1.00 10.00 O ATOM 0 H TYR A 7 5.719 -0.255 -5.770 1.00 10.00 H new ATOM 0 HA TYR A 7 3.365 1.324 -5.307 1.00 10.00 H new ATOM 0 HB2 TYR A 7 4.036 1.632 -3.247 1.00 10.00 H new ATOM 0 HB3 TYR A 7 5.058 0.257 -3.618 1.00 10.00 H new ATOM 0 HD1 TYR A 7 5.033 3.986 -3.308 1.00 10.00 H new ATOM 0 HD2 TYR A 7 7.399 0.398 -3.404 1.00 10.00 H new ATOM 0 HE1 TYR A 7 7.106 5.357 -3.187 1.00 10.00 H new ATOM 0 HE2 TYR A 7 9.468 1.769 -3.307 1.00 10.00 H new ATOM 0 HH TYR A 7 10.155 4.000 -2.505 1.00 10.00 H new ATOM 148 N ASN A 8 5.923 2.859 -6.636 1.00 10.00 N ATOM 149 CA ASN A 8 6.401 4.068 -7.297 1.00 10.00 C ATOM 150 C ASN A 8 5.602 4.397 -8.568 1.00 10.00 C ATOM 151 O ASN A 8 5.590 5.542 -9.007 1.00 10.00 O ATOM 152 CB ASN A 8 7.899 3.893 -7.570 1.00 10.00 C ATOM 153 CG ASN A 8 8.604 5.147 -8.061 1.00 10.00 C ATOM 154 OD1 ASN A 8 8.312 6.259 -7.644 1.00 10.00 O ATOM 155 ND2 ASN A 8 9.580 4.974 -8.942 1.00 10.00 N ATOM 0 H ASN A 8 6.592 2.091 -6.687 1.00 10.00 H new ATOM 0 HA ASN A 8 6.248 4.928 -6.646 1.00 10.00 H new ATOM 0 HB2 ASN A 8 8.384 3.554 -6.655 1.00 10.00 H new ATOM 0 HB3 ASN A 8 8.030 3.105 -8.311 1.00 10.00 H new ATOM 0 HD21 ASN A 8 10.105 5.778 -9.286 1.00 10.00 H new ATOM 0 HD22 ASN A 8 9.806 4.037 -9.276 1.00 10.00 H new ATOM 162 N LYS A 9 4.940 3.411 -9.180 1.00 10.00 N ATOM 163 CA LYS A 9 3.988 3.633 -10.267 1.00 10.00 C ATOM 164 C LYS A 9 2.528 3.756 -9.788 1.00 10.00 C ATOM 165 O LYS A 9 1.736 4.427 -10.448 1.00 10.00 O ATOM 166 CB LYS A 9 4.175 2.541 -11.330 1.00 10.00 C ATOM 167 CG LYS A 9 3.706 2.970 -12.731 1.00 10.00 C ATOM 168 CD LYS A 9 4.890 3.149 -13.698 1.00 10.00 C ATOM 169 CE LYS A 9 5.870 4.261 -13.277 1.00 10.00 C ATOM 170 NZ LYS A 9 5.970 5.331 -14.290 1.00 10.00 N ATOM 0 H LYS A 9 5.052 2.428 -8.931 1.00 10.00 H new ATOM 0 HA LYS A 9 4.204 4.603 -10.715 1.00 10.00 H new ATOM 0 HB2 LYS A 9 5.228 2.265 -11.376 1.00 10.00 H new ATOM 0 HB3 LYS A 9 3.625 1.650 -11.027 1.00 10.00 H new ATOM 0 HG2 LYS A 9 3.020 2.222 -13.130 1.00 10.00 H new ATOM 0 HG3 LYS A 9 3.151 3.905 -12.658 1.00 10.00 H new ATOM 0 HD2 LYS A 9 5.433 2.207 -13.772 1.00 10.00 H new ATOM 0 HD3 LYS A 9 4.505 3.374 -14.693 1.00 10.00 H new ATOM 0 HE2 LYS A 9 5.544 4.690 -12.329 1.00 10.00 H new ATOM 0 HE3 LYS A 9 6.857 3.829 -13.109 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 6.640 6.056 -13.964 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 6.306 4.928 -15.188 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 5.035 5.763 -14.432 1.00 10.00 H new ATOM 184 N ALA A 10 2.162 3.115 -8.672 1.00 10.00 N ATOM 185 CA ALA A 10 0.773 3.010 -8.207 1.00 10.00 C ATOM 186 C ALA A 10 0.511 3.856 -6.958 1.00 10.00 C ATOM 187 O ALA A 10 -0.216 4.848 -7.012 1.00 10.00 O ATOM 188 CB ALA A 10 0.413 1.544 -7.951 1.00 10.00 C ATOM 0 H ALA A 10 2.830 2.649 -8.058 1.00 10.00 H new ATOM 0 HA ALA A 10 0.134 3.405 -8.996 1.00 10.00 H new ATOM 0 HB1 ALA A 10 -0.619 1.478 -7.607 1.00 10.00 H new ATOM 0 HB2 ALA A 10 0.525 0.975 -8.874 1.00 10.00 H new ATOM 0 HB3 ALA A 10 1.077 1.134 -7.190 1.00 10.00 H new ATOM 194 N CYS A 11 1.108 3.487 -5.822 1.00 10.00 N ATOM 195 CA CYS A 11 0.949 4.157 -4.532 1.00 10.00 C ATOM 196 C CYS A 11 1.783 5.468 -4.503 1.00 10.00 C ATOM 197 O CYS A 11 2.489 5.779 -3.547 1.00 10.00 O ATOM 198 CB CYS A 11 1.323 3.206 -3.403 1.00 10.00 C ATOM 199 SG CYS A 11 1.376 1.418 -3.772 1.00 10.00 S ATOM 0 H CYS A 11 1.737 2.685 -5.775 1.00 10.00 H new ATOM 0 HA CYS A 11 -0.095 4.437 -4.389 1.00 10.00 H new ATOM 0 HB2 CYS A 11 2.304 3.499 -3.030 1.00 10.00 H new ATOM 0 HB3 CYS A 11 0.614 3.358 -2.589 1.00 10.00 H new ATOM 204 N THR A 12 1.712 6.257 -5.578 1.00 10.00 N ATOM 205 CA THR A 12 2.685 7.306 -5.891 1.00 10.00 C ATOM 206 C THR A 12 2.062 8.678 -6.112 1.00 10.00 C ATOM 207 O THR A 12 2.769 9.683 -6.143 1.00 10.00 O ATOM 208 CB THR A 12 3.470 6.898 -7.137 1.00 10.00 C ATOM 209 OG1 THR A 12 4.591 7.737 -7.254 1.00 10.00 O ATOM 210 CG2 THR A 12 2.673 6.976 -8.441 1.00 10.00 C ATOM 0 H THR A 12 0.964 6.183 -6.267 1.00 10.00 H new ATOM 0 HA THR A 12 3.336 7.402 -5.022 1.00 10.00 H new ATOM 0 HB THR A 12 3.741 5.851 -7.000 1.00 10.00 H new ATOM 0 HG1 THR A 12 4.393 8.606 -6.847 1.00 10.00 H new ATOM 0 HG21 THR A 12 3.306 6.669 -9.273 1.00 10.00 H new ATOM 0 HG22 THR A 12 1.809 6.314 -8.380 1.00 10.00 H new ATOM 0 HG23 THR A 12 2.335 8.000 -8.600 1.00 10.00 H new ATOM 218 N VAL A 13 0.744 8.712 -6.307 1.00 10.00 N ATOM 219 CA VAL A 13 -0.017 9.919 -6.632 1.00 10.00 C ATOM 220 C VAL A 13 -0.588 10.518 -5.336 1.00 10.00 C ATOM 221 O VAL A 13 -0.758 11.726 -5.197 1.00 10.00 O ATOM 222 CB VAL A 13 -1.102 9.587 -7.686 1.00 10.00 C ATOM 223 CG1 VAL A 13 -0.728 8.439 -8.624 1.00 10.00 C ATOM 224 CG2 VAL A 13 -2.405 9.108 -7.071 1.00 10.00 C ATOM 0 H VAL A 13 0.160 7.878 -6.242 1.00 10.00 H new ATOM 0 HA VAL A 13 0.626 10.676 -7.080 1.00 10.00 H new ATOM 0 HB VAL A 13 -1.199 10.537 -8.212 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -1.539 8.269 -9.332 1.00 10.00 H new ATOM 0 HG12 VAL A 13 0.181 8.695 -9.168 1.00 10.00 H new ATOM 0 HG13 VAL A 13 -0.559 7.534 -8.041 1.00 10.00 H new ATOM 0 HG21 VAL A 13 -3.123 8.892 -7.862 1.00 10.00 H new ATOM 0 HG22 VAL A 13 -2.222 8.204 -6.490 1.00 10.00 H new ATOM 0 HG23 VAL A 13 -2.806 9.884 -6.419 1.00 10.00 H new ATOM 234 N CYS A 14 -0.860 9.622 -4.383 1.00 10.00 N ATOM 235 CA CYS A 14 -1.514 9.838 -3.111 1.00 10.00 C ATOM 236 C CYS A 14 -0.484 9.747 -1.981 1.00 10.00 C ATOM 237 O CYS A 14 -0.206 10.736 -1.306 1.00 10.00 O ATOM 238 CB CYS A 14 -2.570 8.768 -3.014 1.00 10.00 C ATOM 239 SG CYS A 14 -3.854 9.123 -4.235 1.00 10.00 S ATOM 0 H CYS A 14 -0.601 8.643 -4.503 1.00 10.00 H new ATOM 0 HA CYS A 14 -1.969 10.825 -3.028 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -2.133 7.786 -3.197 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -2.996 8.745 -2.011 1.00 10.00 H new ATOM 244 N HIS A 15 0.112 8.563 -1.801 1.00 10.00 N ATOM 245 CA HIS A 15 0.925 8.232 -0.626 1.00 10.00 C ATOM 246 C HIS A 15 2.318 8.889 -0.625 1.00 10.00 C ATOM 247 O HIS A 15 2.971 8.994 0.415 1.00 10.00 O ATOM 248 CB HIS A 15 1.072 6.711 -0.535 1.00 10.00 C ATOM 249 CG HIS A 15 -0.119 5.957 -0.011 1.00 10.00 C ATOM 250 ND1 HIS A 15 -0.069 5.141 1.085 1.00 10.00 N ATOM 251 CD2 HIS A 15 -1.287 5.688 -0.675 1.00 10.00 C ATOM 252 CE1 HIS A 15 -1.186 4.398 1.094 1.00 10.00 C ATOM 253 NE2 HIS A 15 -1.974 4.697 0.046 1.00 10.00 N ATOM 0 H HIS A 15 0.043 7.800 -2.474 1.00 10.00 H new ATOM 0 HA HIS A 15 0.402 8.632 0.243 1.00 10.00 H new ATOM 0 HB2 HIS A 15 1.308 6.330 -1.529 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.927 6.487 0.104 1.00 10.00 H new ATOM 0 HD1 HIS A 15 0.683 5.104 1.773 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.620 6.155 -1.590 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.421 3.657 1.844 1.00 10.00 H new ATOM 261 N SER A 16 2.785 9.325 -1.799 1.00 10.00 N ATOM 262 CA SER A 16 4.067 10.012 -1.953 1.00 10.00 C ATOM 263 C SER A 16 4.082 11.327 -1.161 1.00 10.00 C ATOM 264 O SER A 16 4.986 11.582 -0.370 1.00 10.00 O ATOM 265 CB SER A 16 4.330 10.249 -3.445 1.00 10.00 C ATOM 266 OG SER A 16 5.546 10.948 -3.618 1.00 10.00 O ATOM 0 H SER A 16 2.278 9.209 -2.676 1.00 10.00 H new ATOM 0 HA SER A 16 4.866 9.390 -1.549 1.00 10.00 H new ATOM 0 HB2 SER A 16 4.372 9.295 -3.971 1.00 10.00 H new ATOM 0 HB3 SER A 16 3.509 10.818 -3.881 1.00 10.00 H new ATOM 0 HG SER A 16 5.707 11.094 -4.574 1.00 10.00 H new ATOM 272 N MET A 17 3.044 12.143 -1.368 1.00 10.00 N ATOM 273 CA MET A 17 2.890 13.478 -0.791 1.00 10.00 C ATOM 274 C MET A 17 1.788 13.538 0.287 1.00 10.00 C ATOM 275 O MET A 17 1.709 14.510 1.034 1.00 10.00 O ATOM 276 CB MET A 17 2.615 14.445 -1.951 1.00 10.00 C ATOM 277 CG MET A 17 3.868 14.654 -2.818 1.00 10.00 C ATOM 278 SD MET A 17 5.038 15.896 -2.211 1.00 10.00 S ATOM 279 CE MET A 17 6.371 15.678 -3.403 1.00 10.00 C ATOM 0 H MET A 17 2.260 11.880 -1.965 1.00 10.00 H new ATOM 0 HA MET A 17 3.803 13.761 -0.268 1.00 10.00 H new ATOM 0 HB2 MET A 17 1.805 14.055 -2.568 1.00 10.00 H new ATOM 0 HB3 MET A 17 2.281 15.404 -1.555 1.00 10.00 H new ATOM 0 HG2 MET A 17 4.390 13.701 -2.907 1.00 10.00 H new ATOM 0 HG3 MET A 17 3.551 14.939 -3.821 1.00 10.00 H new ATOM 0 HE1 MET A 17 7.180 16.371 -3.174 1.00 10.00 H new ATOM 0 HE2 MET A 17 6.743 14.655 -3.349 1.00 10.00 H new ATOM 0 HE3 MET A 17 5.997 15.876 -4.407 1.00 10.00 H new ATOM 289 N GLY A 18 0.933 12.513 0.374 1.00 10.00 N ATOM 290 CA GLY A 18 -0.212 12.466 1.283 1.00 10.00 C ATOM 291 C GLY A 18 -1.416 13.240 0.734 1.00 10.00 C ATOM 292 O GLY A 18 -2.063 14.005 1.447 1.00 10.00 O ATOM 0 H GLY A 18 1.022 11.675 -0.200 1.00 10.00 H new ATOM 0 HA2 GLY A 18 -0.496 11.428 1.454 1.00 10.00 H new ATOM 0 HA3 GLY A 18 0.075 12.881 2.249 1.00 10.00 H new ATOM 296 N VAL A 19 -1.723 13.033 -0.550 1.00 10.00 N ATOM 297 CA VAL A 19 -2.837 13.663 -1.254 1.00 10.00 C ATOM 298 C VAL A 19 -4.087 12.781 -1.129 1.00 10.00 C ATOM 299 O VAL A 19 -4.012 11.609 -0.765 1.00 10.00 O ATOM 300 CB VAL A 19 -2.423 13.964 -2.710 1.00 10.00 C ATOM 301 CG1 VAL A 19 -3.562 14.529 -3.571 1.00 10.00 C ATOM 302 CG2 VAL A 19 -1.277 14.985 -2.718 1.00 10.00 C ATOM 0 H VAL A 19 -1.185 12.402 -1.144 1.00 10.00 H new ATOM 0 HA VAL A 19 -3.093 14.622 -0.804 1.00 10.00 H new ATOM 0 HB VAL A 19 -2.123 13.009 -3.140 1.00 10.00 H new ATOM 0 HG11 VAL A 19 -3.197 14.716 -4.581 1.00 10.00 H new ATOM 0 HG12 VAL A 19 -4.381 13.810 -3.609 1.00 10.00 H new ATOM 0 HG13 VAL A 19 -3.919 15.463 -3.136 1.00 10.00 H new ATOM 0 HG21 VAL A 19 -0.986 15.197 -3.747 1.00 10.00 H new ATOM 0 HG22 VAL A 19 -1.607 15.906 -2.237 1.00 10.00 H new ATOM 0 HG23 VAL A 19 -0.424 14.578 -2.175 1.00 10.00 H new ATOM 312 N ALA A 20 -5.261 13.378 -1.342 1.00 10.00 N ATOM 313 CA ALA A 20 -6.564 12.728 -1.197 1.00 10.00 C ATOM 314 C ALA A 20 -6.817 12.152 0.209 1.00 10.00 C ATOM 315 O ALA A 20 -7.680 11.298 0.377 1.00 10.00 O ATOM 316 CB ALA A 20 -6.739 11.670 -2.295 1.00 10.00 C ATOM 0 H ALA A 20 -5.333 14.354 -1.628 1.00 10.00 H new ATOM 0 HA ALA A 20 -7.326 13.498 -1.319 1.00 10.00 H new ATOM 0 HB1 ALA A 20 -7.710 11.188 -2.184 1.00 10.00 H new ATOM 0 HB2 ALA A 20 -6.680 12.148 -3.273 1.00 10.00 H new ATOM 0 HB3 ALA A 20 -5.951 10.922 -2.209 1.00 10.00 H new ATOM 322 N GLY A 21 -6.064 12.616 1.215 1.00 10.00 N ATOM 323 CA GLY A 21 -6.117 12.117 2.591 1.00 10.00 C ATOM 324 C GLY A 21 -5.189 10.920 2.853 1.00 10.00 C ATOM 325 O GLY A 21 -5.253 10.311 3.918 1.00 10.00 O ATOM 0 H GLY A 21 -5.385 13.367 1.089 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -5.852 12.926 3.271 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -7.142 11.828 2.824 1.00 10.00 H new ATOM 329 N ALA A 22 -4.337 10.553 1.890 1.00 10.00 N ATOM 330 CA ALA A 22 -3.525 9.344 1.978 1.00 10.00 C ATOM 331 C ALA A 22 -2.418 9.431 3.049 1.00 10.00 C ATOM 332 O ALA A 22 -1.880 10.509 3.303 1.00 10.00 O ATOM 333 CB ALA A 22 -2.979 9.036 0.581 1.00 10.00 C ATOM 0 H ALA A 22 -4.194 11.086 1.032 1.00 10.00 H new ATOM 0 HA ALA A 22 -4.151 8.517 2.315 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -2.367 8.135 0.620 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -3.809 8.882 -0.108 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.371 9.872 0.235 1.00 10.00 H new ATOM 339 N PRO A 23 -2.067 8.297 3.681 1.00 10.00 N ATOM 340 CA PRO A 23 -0.966 8.210 4.637 1.00 10.00 C ATOM 341 C PRO A 23 0.375 8.397 3.923 1.00 10.00 C ATOM 342 O PRO A 23 0.455 8.272 2.702 1.00 10.00 O ATOM 343 CB PRO A 23 -1.072 6.801 5.204 1.00 10.00 C ATOM 344 CG PRO A 23 -1.634 5.994 4.050 1.00 10.00 C ATOM 345 CD PRO A 23 -2.615 6.974 3.418 1.00 10.00 C ATOM 0 HA PRO A 23 -1.020 8.977 5.409 1.00 10.00 H new ATOM 0 HB2 PRO A 23 -0.101 6.423 5.522 1.00 10.00 H new ATOM 0 HB3 PRO A 23 -1.728 6.767 6.074 1.00 10.00 H new ATOM 0 HG2 PRO A 23 -0.856 5.689 3.350 1.00 10.00 H new ATOM 0 HG3 PRO A 23 -2.130 5.086 4.392 1.00 10.00 H new ATOM 0 HD2 PRO A 23 -2.713 6.796 2.347 1.00 10.00 H new ATOM 0 HD3 PRO A 23 -3.610 6.868 3.851 1.00 10.00 H new ATOM 353 N LYS A 24 1.449 8.669 4.669 1.00 10.00 N ATOM 354 CA LYS A 24 2.745 8.926 4.040 1.00 10.00 C ATOM 355 C LYS A 24 3.504 7.627 3.741 1.00 10.00 C ATOM 356 O LYS A 24 3.506 6.689 4.544 1.00 10.00 O ATOM 357 CB LYS A 24 3.581 9.876 4.905 1.00 10.00 C ATOM 358 CG LYS A 24 2.930 11.266 4.952 1.00 10.00 C ATOM 359 CD LYS A 24 3.431 12.065 6.160 1.00 10.00 C ATOM 360 CE LYS A 24 2.576 13.329 6.334 1.00 10.00 C ATOM 361 NZ LYS A 24 2.782 13.939 7.663 1.00 10.00 N ATOM 0 H LYS A 24 1.448 8.716 5.688 1.00 10.00 H new ATOM 0 HA LYS A 24 2.560 9.409 3.081 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.671 9.475 5.915 1.00 10.00 H new ATOM 0 HB3 LYS A 24 4.590 9.953 4.501 1.00 10.00 H new ATOM 0 HG2 LYS A 24 3.155 11.808 4.034 1.00 10.00 H new ATOM 0 HG3 LYS A 24 1.846 11.163 5.004 1.00 10.00 H new ATOM 0 HD2 LYS A 24 3.380 11.453 7.060 1.00 10.00 H new ATOM 0 HD3 LYS A 24 4.477 12.338 6.019 1.00 10.00 H new ATOM 0 HE2 LYS A 24 2.829 14.051 5.557 1.00 10.00 H new ATOM 0 HE3 LYS A 24 1.523 13.078 6.206 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 2.191 14.790 7.750 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 2.518 13.257 8.403 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 3.783 14.200 7.774 1.00 10.00 H new ATOM 375 N SER A 25 4.202 7.614 2.598 1.00 10.00 N ATOM 376 CA SER A 25 5.123 6.554 2.176 1.00 10.00 C ATOM 377 C SER A 25 6.088 6.089 3.285 1.00 10.00 C ATOM 378 O SER A 25 6.495 4.932 3.309 1.00 10.00 O ATOM 379 CB SER A 25 5.892 7.017 0.931 1.00 10.00 C ATOM 380 OG SER A 25 6.393 5.891 0.236 1.00 10.00 O ATOM 0 H SER A 25 4.137 8.371 1.917 1.00 10.00 H new ATOM 0 HA SER A 25 4.519 5.678 1.939 1.00 10.00 H new ATOM 0 HB2 SER A 25 5.236 7.596 0.281 1.00 10.00 H new ATOM 0 HB3 SER A 25 6.713 7.673 1.221 1.00 10.00 H new ATOM 0 HG SER A 25 6.882 6.189 -0.559 1.00 10.00 H new ATOM 386 N HIS A 26 6.419 6.974 4.235 1.00 10.00 N ATOM 387 CA HIS A 26 7.044 6.612 5.498 1.00 10.00 C ATOM 388 C HIS A 26 6.350 7.368 6.643 1.00 10.00 C ATOM 389 O HIS A 26 6.216 8.589 6.612 1.00 10.00 O ATOM 390 CB HIS A 26 8.564 6.840 5.448 1.00 10.00 C ATOM 391 CG HIS A 26 9.027 8.262 5.658 1.00 10.00 C ATOM 392 ND1 HIS A 26 9.913 8.677 6.626 1.00 10.00 N ATOM 393 CD2 HIS A 26 8.626 9.373 4.963 1.00 10.00 C ATOM 394 CE1 HIS A 26 10.042 10.010 6.516 1.00 10.00 C ATOM 395 NE2 HIS A 26 9.277 10.480 5.517 1.00 10.00 N ATOM 0 H HIS A 26 6.254 7.976 4.138 1.00 10.00 H new ATOM 0 HA HIS A 26 6.915 5.546 5.685 1.00 10.00 H new ATOM 0 HB2 HIS A 26 9.031 6.211 6.206 1.00 10.00 H new ATOM 0 HB3 HIS A 26 8.931 6.498 4.480 1.00 10.00 H new ATOM 0 HD2 HIS A 26 7.932 9.391 4.136 1.00 10.00 H new ATOM 0 HE1 HIS A 26 10.674 10.620 7.145 1.00 10.00 H new ATOM 0 HE2 HIS A 26 9.188 11.452 5.221 1.00 10.00 H new ATOM 403 N ASN A 27 5.868 6.630 7.638 1.00 10.00 N ATOM 404 CA ASN A 27 5.313 7.124 8.887 1.00 10.00 C ATOM 405 C ASN A 27 5.486 5.995 9.919 1.00 10.00 C ATOM 406 O ASN A 27 5.584 4.835 9.523 1.00 10.00 O ATOM 407 CB ASN A 27 3.818 7.432 8.676 1.00 10.00 C ATOM 408 CG ASN A 27 3.438 8.903 8.562 1.00 10.00 C ATOM 409 OD1 ASN A 27 4.198 9.801 8.905 1.00 10.00 O ATOM 410 ND2 ASN A 27 2.222 9.198 8.118 1.00 10.00 N ATOM 0 H ASN A 27 5.855 5.611 7.588 1.00 10.00 H new ATOM 0 HA ASN A 27 5.809 8.034 9.226 1.00 10.00 H new ATOM 0 HB2 ASN A 27 3.489 6.923 7.770 1.00 10.00 H new ATOM 0 HB3 ASN A 27 3.260 6.998 9.506 1.00 10.00 H new ATOM 0 HD21 ASN A 27 1.921 10.171 8.063 1.00 10.00 H new ATOM 0 HD22 ASN A 27 1.588 8.451 7.832 1.00 10.00 H new ATOM 417 N THR A 28 5.485 6.307 11.219 1.00 10.00 N ATOM 418 CA THR A 28 5.458 5.263 12.257 1.00 10.00 C ATOM 419 C THR A 28 4.099 5.210 12.964 1.00 10.00 C ATOM 420 O THR A 28 3.549 4.132 13.167 1.00 10.00 O ATOM 421 CB THR A 28 6.568 5.557 13.282 1.00 10.00 C ATOM 422 OG1 THR A 28 7.821 5.628 12.637 1.00 10.00 O ATOM 423 CG2 THR A 28 6.663 4.485 14.369 1.00 10.00 C ATOM 0 H THR A 28 5.502 7.262 11.578 1.00 10.00 H new ATOM 0 HA THR A 28 5.623 4.295 11.785 1.00 10.00 H new ATOM 0 HB THR A 28 6.309 6.508 13.748 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.519 5.817 13.298 1.00 10.00 H new ATOM 0 HG21 THR A 28 7.462 4.742 15.065 1.00 10.00 H new ATOM 0 HG22 THR A 28 5.717 4.428 14.907 1.00 10.00 H new ATOM 0 HG23 THR A 28 6.878 3.520 13.910 1.00 10.00 H new ATOM 431 N ALA A 29 3.463 6.367 13.176 1.00 10.00 N ATOM 432 CA ALA A 29 2.187 6.450 13.886 1.00 10.00 C ATOM 433 C ALA A 29 1.008 6.021 13.009 1.00 10.00 C ATOM 434 O ALA A 29 0.002 5.516 13.495 1.00 10.00 O ATOM 435 CB ALA A 29 1.991 7.883 14.373 1.00 10.00 C ATOM 0 H ALA A 29 3.819 7.269 12.860 1.00 10.00 H new ATOM 0 HA ALA A 29 2.217 5.762 14.731 1.00 10.00 H new ATOM 0 HB1 ALA A 29 1.043 7.960 14.905 1.00 10.00 H new ATOM 0 HB2 ALA A 29 2.806 8.154 15.044 1.00 10.00 H new ATOM 0 HB3 ALA A 29 1.984 8.560 13.519 1.00 10.00 H new ATOM 441 N ASP A 30 1.142 6.230 11.699 1.00 10.00 N ATOM 442 CA ASP A 30 0.148 5.913 10.692 1.00 10.00 C ATOM 443 C ASP A 30 0.127 4.395 10.425 1.00 10.00 C ATOM 444 O ASP A 30 -0.915 3.794 10.147 1.00 10.00 O ATOM 445 CB ASP A 30 0.590 6.739 9.480 1.00 10.00 C ATOM 446 CG ASP A 30 -0.470 7.074 8.481 1.00 10.00 C ATOM 447 OD1 ASP A 30 -1.547 6.448 8.536 1.00 10.00 O ATOM 448 OD2 ASP A 30 -0.094 7.902 7.623 1.00 10.00 O ATOM 0 H ASP A 30 1.985 6.643 11.301 1.00 10.00 H new ATOM 0 HA ASP A 30 -0.875 6.155 10.980 1.00 10.00 H new ATOM 0 HB2 ASP A 30 1.025 7.671 9.842 1.00 10.00 H new ATOM 0 HB3 ASP A 30 1.383 6.195 8.967 1.00 10.00 H new ATOM 453 N TRP A 31 1.315 3.783 10.508 1.00 10.00 N ATOM 454 CA TRP A 31 1.579 2.362 10.320 1.00 10.00 C ATOM 455 C TRP A 31 1.343 1.553 11.614 1.00 10.00 C ATOM 456 O TRP A 31 0.833 0.434 11.537 1.00 10.00 O ATOM 457 CB TRP A 31 2.992 2.205 9.731 1.00 10.00 C ATOM 458 CG TRP A 31 3.163 2.718 8.319 1.00 10.00 C ATOM 459 CD1 TRP A 31 3.222 4.021 7.953 1.00 10.00 C ATOM 460 CD2 TRP A 31 3.265 1.973 7.065 1.00 10.00 C ATOM 461 NE1 TRP A 31 3.320 4.146 6.584 1.00 10.00 N ATOM 462 CE2 TRP A 31 3.331 2.911 5.986 1.00 10.00 C ATOM 463 CE3 TRP A 31 3.283 0.601 6.722 1.00 10.00 C ATOM 464 CZ2 TRP A 31 3.369 2.517 4.646 1.00 10.00 C ATOM 465 CZ3 TRP A 31 3.295 0.198 5.373 1.00 10.00 C ATOM 466 CH2 TRP A 31 3.308 1.151 4.348 1.00 10.00 C ATOM 0 H TRP A 31 2.166 4.304 10.722 1.00 10.00 H new ATOM 0 HA TRP A 31 0.869 1.938 9.610 1.00 10.00 H new ATOM 0 HB2 TRP A 31 3.698 2.727 10.378 1.00 10.00 H new ATOM 0 HB3 TRP A 31 3.261 1.149 9.752 1.00 10.00 H new ATOM 0 HD1 TRP A 31 3.196 4.852 8.643 1.00 10.00 H new ATOM 0 HE1 TRP A 31 3.377 5.034 6.085 1.00 10.00 H new ATOM 0 HE3 TRP A 31 3.288 -0.145 7.503 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 3.444 3.251 3.857 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 3.294 -0.854 5.127 1.00 10.00 H new ATOM 0 HH2 TRP A 31 3.271 0.829 3.318 1.00 10.00 H new ATOM 477 N GLU A 32 1.619 2.117 12.802 1.00 10.00 N ATOM 478 CA GLU A 32 1.313 1.497 14.103 1.00 10.00 C ATOM 479 C GLU A 32 -0.039 0.750 14.161 1.00 10.00 C ATOM 480 O GLU A 32 -0.050 -0.465 14.360 1.00 10.00 O ATOM 481 CB GLU A 32 1.396 2.552 15.221 1.00 10.00 C ATOM 482 CG GLU A 32 2.693 2.440 16.032 1.00 10.00 C ATOM 483 CD GLU A 32 2.715 3.433 17.186 1.00 10.00 C ATOM 484 OE1 GLU A 32 3.162 4.575 16.941 1.00 10.00 O ATOM 485 OE2 GLU A 32 2.266 3.031 18.280 1.00 10.00 O ATOM 0 H GLU A 32 2.067 3.029 12.887 1.00 10.00 H new ATOM 0 HA GLU A 32 2.071 0.727 14.250 1.00 10.00 H new ATOM 0 HB2 GLU A 32 1.329 3.548 14.783 1.00 10.00 H new ATOM 0 HB3 GLU A 32 0.542 2.439 15.889 1.00 10.00 H new ATOM 0 HG2 GLU A 32 2.795 1.427 16.420 1.00 10.00 H new ATOM 0 HG3 GLU A 32 3.548 2.619 15.380 1.00 10.00 H new ATOM 492 N PRO A 33 -1.188 1.425 13.961 1.00 10.00 N ATOM 493 CA PRO A 33 -2.503 0.791 14.044 1.00 10.00 C ATOM 494 C PRO A 33 -2.710 -0.316 12.999 1.00 10.00 C ATOM 495 O PRO A 33 -3.614 -1.139 13.137 1.00 10.00 O ATOM 496 CB PRO A 33 -3.515 1.934 13.886 1.00 10.00 C ATOM 497 CG PRO A 33 -2.747 2.995 13.101 1.00 10.00 C ATOM 498 CD PRO A 33 -1.329 2.835 13.641 1.00 10.00 C ATOM 0 HA PRO A 33 -2.622 0.272 14.995 1.00 10.00 H new ATOM 0 HB2 PRO A 33 -4.407 1.608 13.351 1.00 10.00 H new ATOM 0 HB3 PRO A 33 -3.845 2.313 14.853 1.00 10.00 H new ATOM 0 HG2 PRO A 33 -2.795 2.820 12.026 1.00 10.00 H new ATOM 0 HG3 PRO A 33 -3.139 3.996 13.279 1.00 10.00 H new ATOM 0 HD2 PRO A 33 -0.591 3.144 12.901 1.00 10.00 H new ATOM 0 HD3 PRO A 33 -1.174 3.455 14.524 1.00 10.00 H new ATOM 506 N ARG A 34 -1.878 -0.358 11.956 1.00 10.00 N ATOM 507 CA ARG A 34 -1.950 -1.327 10.872 1.00 10.00 C ATOM 508 C ARG A 34 -1.149 -2.578 11.257 1.00 10.00 C ATOM 509 O ARG A 34 -1.689 -3.686 11.284 1.00 10.00 O ATOM 510 CB ARG A 34 -1.461 -0.641 9.579 1.00 10.00 C ATOM 511 CG ARG A 34 -2.111 0.738 9.358 1.00 10.00 C ATOM 512 CD ARG A 34 -3.590 0.594 8.988 1.00 10.00 C ATOM 513 NE ARG A 34 -4.350 1.825 9.269 1.00 10.00 N ATOM 514 CZ ARG A 34 -5.584 2.080 8.820 1.00 10.00 C ATOM 515 NH1 ARG A 34 -6.254 1.173 8.122 1.00 10.00 N ATOM 516 NH2 ARG A 34 -6.139 3.266 9.002 1.00 10.00 N ATOM 0 H ARG A 34 -1.112 0.306 11.844 1.00 10.00 H new ATOM 0 HA ARG A 34 -2.970 -1.666 10.691 1.00 10.00 H new ATOM 0 HB2 ARG A 34 -0.378 -0.526 9.621 1.00 10.00 H new ATOM 0 HB3 ARG A 34 -1.681 -1.283 8.726 1.00 10.00 H new ATOM 0 HG2 ARG A 34 -2.015 1.338 10.263 1.00 10.00 H new ATOM 0 HG3 ARG A 34 -1.584 1.270 8.566 1.00 10.00 H new ATOM 0 HD2 ARG A 34 -3.677 0.347 7.930 1.00 10.00 H new ATOM 0 HD3 ARG A 34 -4.024 -0.236 9.545 1.00 10.00 H new ATOM 0 HE ARG A 34 -3.902 2.535 9.849 1.00 10.00 H new ATOM 0 HH11 ARG A 34 -5.829 0.268 7.921 1.00 10.00 H new ATOM 0 HH12 ARG A 34 -7.194 1.381 7.786 1.00 10.00 H new ATOM 0 HH21 ARG A 34 -5.625 4.000 9.490 1.00 10.00 H new ATOM 0 HH22 ARG A 34 -7.081 3.447 8.654 1.00 10.00 H new ATOM 530 N LEU A 35 0.106 -2.365 11.670 1.00 10.00 N ATOM 531 CA LEU A 35 1.014 -3.388 12.198 1.00 10.00 C ATOM 532 C LEU A 35 0.473 -4.097 13.458 1.00 10.00 C ATOM 533 O LEU A 35 0.974 -5.150 13.843 1.00 10.00 O ATOM 534 CB LEU A 35 2.379 -2.735 12.516 1.00 10.00 C ATOM 535 CG LEU A 35 3.598 -3.403 11.859 1.00 10.00 C ATOM 536 CD1 LEU A 35 4.870 -2.738 12.400 1.00 10.00 C ATOM 537 CD2 LEU A 35 3.672 -4.914 12.105 1.00 10.00 C ATOM 0 H LEU A 35 0.533 -1.439 11.644 1.00 10.00 H new ATOM 0 HA LEU A 35 1.115 -4.155 11.430 1.00 10.00 H new ATOM 0 HB2 LEU A 35 2.345 -1.691 12.203 1.00 10.00 H new ATOM 0 HB3 LEU A 35 2.522 -2.739 13.597 1.00 10.00 H new ATOM 0 HG LEU A 35 3.501 -3.268 10.782 1.00 10.00 H new ATOM 0 HD11 LEU A 35 5.745 -3.201 11.943 1.00 10.00 H new ATOM 0 HD12 LEU A 35 4.855 -1.675 12.160 1.00 10.00 H new ATOM 0 HD13 LEU A 35 4.915 -2.865 13.482 1.00 10.00 H new ATOM 0 HD21 LEU A 35 4.556 -5.320 11.613 1.00 10.00 H new ATOM 0 HD22 LEU A 35 3.733 -5.106 13.176 1.00 10.00 H new ATOM 0 HD23 LEU A 35 2.780 -5.393 11.701 1.00 10.00 H new ATOM 549 N ALA A 36 -0.521 -3.501 14.125 1.00 10.00 N ATOM 550 CA ALA A 36 -1.066 -3.942 15.403 1.00 10.00 C ATOM 551 C ALA A 36 -2.250 -4.878 15.170 1.00 10.00 C ATOM 552 O ALA A 36 -2.420 -5.873 15.869 1.00 10.00 O ATOM 553 CB ALA A 36 -1.498 -2.713 16.208 1.00 10.00 C ATOM 0 H ALA A 36 -0.983 -2.664 13.770 1.00 10.00 H new ATOM 0 HA ALA A 36 -0.307 -4.489 15.962 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -1.908 -3.031 17.167 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -0.636 -2.068 16.378 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -2.258 -2.164 15.653 1.00 10.00 H new ATOM 559 N LYS A 37 -3.063 -4.559 14.157 1.00 10.00 N ATOM 560 CA LYS A 37 -4.069 -5.471 13.644 1.00 10.00 C ATOM 561 C LYS A 37 -3.392 -6.730 13.082 1.00 10.00 C ATOM 562 O LYS A 37 -3.775 -7.849 13.414 1.00 10.00 O ATOM 563 CB LYS A 37 -4.901 -4.765 12.566 1.00 10.00 C ATOM 564 CG LYS A 37 -5.745 -3.602 13.104 1.00 10.00 C ATOM 565 CD LYS A 37 -7.113 -4.033 13.667 1.00 10.00 C ATOM 566 CE LYS A 37 -7.197 -3.893 15.194 1.00 10.00 C ATOM 567 NZ LYS A 37 -8.603 -3.838 15.651 1.00 10.00 N ATOM 0 H LYS A 37 -3.035 -3.660 13.676 1.00 10.00 H new ATOM 0 HA LYS A 37 -4.736 -5.774 14.451 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -4.233 -4.390 11.791 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -5.560 -5.493 12.093 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -5.185 -3.091 13.887 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -5.904 -2.880 12.303 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -7.896 -3.430 13.208 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -7.305 -5.070 13.390 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -6.691 -4.735 15.667 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -6.674 -2.989 15.508 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -8.628 -3.743 16.686 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -9.077 -3.021 15.217 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -9.093 -4.711 15.371 1.00 10.00 H new ATOM 581 N GLY A 38 -2.403 -6.540 12.200 1.00 10.00 N ATOM 582 CA GLY A 38 -1.609 -7.622 11.622 1.00 10.00 C ATOM 583 C GLY A 38 -0.910 -7.167 10.336 1.00 10.00 C ATOM 584 O GLY A 38 -0.275 -6.117 10.319 1.00 10.00 O ATOM 0 H GLY A 38 -2.131 -5.616 11.865 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -0.865 -7.958 12.345 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -2.253 -8.475 11.407 1.00 10.00 H new ATOM 588 N VAL A 39 -1.041 -7.943 9.256 1.00 10.00 N ATOM 589 CA VAL A 39 -0.448 -7.633 7.950 1.00 10.00 C ATOM 590 C VAL A 39 -1.489 -7.851 6.846 1.00 10.00 C ATOM 591 O VAL A 39 -1.889 -6.921 6.142 1.00 10.00 O ATOM 592 CB VAL A 39 0.832 -8.470 7.731 1.00 10.00 C ATOM 593 CG1 VAL A 39 1.642 -7.903 6.560 1.00 10.00 C ATOM 594 CG2 VAL A 39 1.742 -8.487 8.969 1.00 10.00 C ATOM 0 H VAL A 39 -1.569 -8.816 9.263 1.00 10.00 H new ATOM 0 HA VAL A 39 -0.150 -6.585 7.917 1.00 10.00 H new ATOM 0 HB VAL A 39 0.502 -9.488 7.524 1.00 10.00 H new ATOM 0 HG11 VAL A 39 2.541 -8.502 6.416 1.00 10.00 H new ATOM 0 HG12 VAL A 39 1.038 -7.931 5.653 1.00 10.00 H new ATOM 0 HG13 VAL A 39 1.923 -6.872 6.777 1.00 10.00 H new ATOM 0 HG21 VAL A 39 2.627 -9.089 8.762 1.00 10.00 H new ATOM 0 HG22 VAL A 39 2.045 -7.468 9.212 1.00 10.00 H new ATOM 0 HG23 VAL A 39 1.201 -8.916 9.812 1.00 10.00 H new ATOM 604 N ASP A 40 -2.024 -9.071 6.752 1.00 10.00 N ATOM 605 CA ASP A 40 -2.967 -9.517 5.727 1.00 10.00 C ATOM 606 C ASP A 40 -4.370 -8.873 5.818 1.00 10.00 C ATOM 607 O ASP A 40 -5.330 -9.371 5.239 1.00 10.00 O ATOM 608 CB ASP A 40 -3.053 -11.050 5.797 1.00 10.00 C ATOM 609 CG ASP A 40 -1.707 -11.709 6.034 1.00 10.00 C ATOM 610 OD1 ASP A 40 -1.184 -11.535 7.156 1.00 10.00 O ATOM 611 OD2 ASP A 40 -1.160 -12.261 5.057 1.00 10.00 O ATOM 0 H ASP A 40 -1.800 -9.808 7.421 1.00 10.00 H new ATOM 0 HA ASP A 40 -2.585 -9.186 4.761 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -3.736 -11.334 6.597 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -3.477 -11.427 4.867 1.00 10.00 H new ATOM 616 N ASN A 41 -4.480 -7.740 6.516 1.00 10.00 N ATOM 617 CA ASN A 41 -5.656 -6.896 6.658 1.00 10.00 C ATOM 618 C ASN A 41 -5.591 -5.732 5.673 1.00 10.00 C ATOM 619 O ASN A 41 -6.612 -5.168 5.288 1.00 10.00 O ATOM 620 CB ASN A 41 -5.699 -6.313 8.085 1.00 10.00 C ATOM 621 CG ASN A 41 -5.103 -7.210 9.159 1.00 10.00 C ATOM 622 OD1 ASN A 41 -4.194 -6.652 9.943 1.00 10.00 O flip ATOM 623 ND2 ASN A 41 -5.448 -8.374 9.298 1.00 10.00 N flip ATOM 0 H ASN A 41 -3.685 -7.365 7.034 1.00 10.00 H new ATOM 0 HA ASN A 41 -6.542 -7.499 6.462 1.00 10.00 H new ATOM 0 HB2 ASN A 41 -5.167 -5.362 8.090 1.00 10.00 H new ATOM 0 HB3 ASN A 41 -6.736 -6.100 8.344 1.00 10.00 H new ATOM 0 HD21 ASN A 41 -6.151 -8.775 8.677 1.00 10.00 H new ATOM 0 HD22 ASN A 41 -5.033 -8.945 10.035 1.00 10.00 H new ATOM 630 N LEU A 42 -4.372 -5.354 5.288 1.00 10.00 N ATOM 631 CA LEU A 42 -4.118 -4.218 4.431 1.00 10.00 C ATOM 632 C LEU A 42 -4.016 -4.680 2.979 1.00 10.00 C ATOM 633 O LEU A 42 -4.709 -4.134 2.129 1.00 10.00 O ATOM 634 CB LEU A 42 -2.870 -3.500 4.939 1.00 10.00 C ATOM 635 CG LEU A 42 -3.022 -2.862 6.342 1.00 10.00 C ATOM 636 CD1 LEU A 42 -4.432 -2.337 6.649 1.00 10.00 C ATOM 637 CD2 LEU A 42 -2.551 -3.802 7.461 1.00 10.00 C ATOM 0 H LEU A 42 -3.524 -5.844 5.574 1.00 10.00 H new ATOM 0 HA LEU A 42 -4.939 -3.502 4.460 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -2.043 -4.210 4.964 1.00 10.00 H new ATOM 0 HB3 LEU A 42 -2.600 -2.720 4.227 1.00 10.00 H new ATOM 0 HG LEU A 42 -2.367 -1.991 6.313 1.00 10.00 H new ATOM 0 HD11 LEU A 42 -4.450 -1.907 7.650 1.00 10.00 H new ATOM 0 HD12 LEU A 42 -4.702 -1.572 5.921 1.00 10.00 H new ATOM 0 HD13 LEU A 42 -5.146 -3.159 6.594 1.00 10.00 H new ATOM 0 HD21 LEU A 42 -2.677 -3.311 8.426 1.00 10.00 H new ATOM 0 HD22 LEU A 42 -3.142 -4.718 7.440 1.00 10.00 H new ATOM 0 HD23 LEU A 42 -1.499 -4.046 7.313 1.00 10.00 H new ATOM 649 N VAL A 43 -3.248 -5.741 2.704 1.00 10.00 N ATOM 650 CA VAL A 43 -3.163 -6.390 1.395 1.00 10.00 C ATOM 651 C VAL A 43 -4.552 -6.756 0.832 1.00 10.00 C ATOM 652 O VAL A 43 -4.793 -6.680 -0.368 1.00 10.00 O ATOM 653 CB VAL A 43 -2.200 -7.592 1.422 1.00 10.00 C ATOM 654 CG1 VAL A 43 -2.906 -8.896 1.802 1.00 10.00 C ATOM 655 CG2 VAL A 43 -1.522 -7.755 0.052 1.00 10.00 C ATOM 0 H VAL A 43 -2.654 -6.182 3.406 1.00 10.00 H new ATOM 0 HA VAL A 43 -2.741 -5.663 0.702 1.00 10.00 H new ATOM 0 HB VAL A 43 -1.452 -7.386 2.188 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -2.184 -9.713 1.807 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -3.347 -8.795 2.794 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -3.691 -9.110 1.076 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -0.843 -8.607 0.081 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -2.281 -7.922 -0.712 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.960 -6.852 -0.186 1.00 10.00 H new ATOM 665 N LYS A 44 -5.513 -7.100 1.695 1.00 10.00 N ATOM 666 CA LYS A 44 -6.888 -7.287 1.237 1.00 10.00 C ATOM 667 C LYS A 44 -7.580 -5.959 0.860 1.00 10.00 C ATOM 668 O LYS A 44 -8.345 -5.902 -0.097 1.00 10.00 O ATOM 669 CB LYS A 44 -7.695 -8.108 2.241 1.00 10.00 C ATOM 670 CG LYS A 44 -7.618 -7.503 3.639 1.00 10.00 C ATOM 671 CD LYS A 44 -8.776 -7.969 4.513 1.00 10.00 C ATOM 672 CE LYS A 44 -9.957 -7.025 4.263 1.00 10.00 C ATOM 673 NZ LYS A 44 -11.194 -7.516 4.903 1.00 10.00 N ATOM 0 H LYS A 44 -5.367 -7.251 2.693 1.00 10.00 H new ATOM 0 HA LYS A 44 -6.843 -7.861 0.311 1.00 10.00 H new ATOM 0 HB2 LYS A 44 -8.736 -8.158 1.921 1.00 10.00 H new ATOM 0 HB3 LYS A 44 -7.319 -9.131 2.264 1.00 10.00 H new ATOM 0 HG2 LYS A 44 -6.673 -7.782 4.106 1.00 10.00 H new ATOM 0 HG3 LYS A 44 -7.629 -6.415 3.567 1.00 10.00 H new ATOM 0 HD2 LYS A 44 -9.049 -8.996 4.270 1.00 10.00 H new ATOM 0 HD3 LYS A 44 -8.491 -7.955 5.565 1.00 10.00 H new ATOM 0 HE2 LYS A 44 -9.718 -6.033 4.647 1.00 10.00 H new ATOM 0 HE3 LYS A 44 -10.119 -6.921 3.190 1.00 10.00 H new ATOM 0 HZ1 LYS A 44 -11.971 -6.852 4.712 1.00 10.00 H new ATOM 0 HZ2 LYS A 44 -11.436 -8.451 4.518 1.00 10.00 H new ATOM 0 HZ3 LYS A 44 -11.047 -7.591 5.930 1.00 10.00 H new ATOM 687 N SER A 45 -7.315 -4.884 1.607 1.00 10.00 N ATOM 688 CA SER A 45 -7.948 -3.574 1.467 1.00 10.00 C ATOM 689 C SER A 45 -7.392 -2.822 0.251 1.00 10.00 C ATOM 690 O SER A 45 -8.103 -2.151 -0.493 1.00 10.00 O ATOM 691 CB SER A 45 -7.750 -2.787 2.762 1.00 10.00 C ATOM 692 OG SER A 45 -8.766 -1.815 2.881 1.00 10.00 O ATOM 0 H SER A 45 -6.624 -4.906 2.357 1.00 10.00 H new ATOM 0 HA SER A 45 -9.017 -3.700 1.293 1.00 10.00 H new ATOM 0 HB2 SER A 45 -7.775 -3.462 3.618 1.00 10.00 H new ATOM 0 HB3 SER A 45 -6.771 -2.308 2.763 1.00 10.00 H new ATOM 0 HG SER A 45 -8.641 -1.311 3.712 1.00 10.00 H new ATOM 698 N VAL A 46 -6.098 -2.998 0.000 1.00 10.00 N ATOM 699 CA VAL A 46 -5.466 -2.565 -1.234 1.00 10.00 C ATOM 700 C VAL A 46 -6.004 -3.357 -2.429 1.00 10.00 C ATOM 701 O VAL A 46 -6.405 -2.764 -3.431 1.00 10.00 O ATOM 702 CB VAL A 46 -3.940 -2.634 -1.078 1.00 10.00 C ATOM 703 CG1 VAL A 46 -3.442 -4.061 -1.029 1.00 10.00 C ATOM 704 CG2 VAL A 46 -3.178 -2.019 -2.229 1.00 10.00 C ATOM 0 H VAL A 46 -5.458 -3.448 0.654 1.00 10.00 H new ATOM 0 HA VAL A 46 -5.717 -1.525 -1.441 1.00 10.00 H new ATOM 0 HB VAL A 46 -3.762 -2.086 -0.153 1.00 10.00 H new ATOM 0 HG11 VAL A 46 -2.358 -4.064 -0.918 1.00 10.00 H new ATOM 0 HG12 VAL A 46 -3.895 -4.576 -0.182 1.00 10.00 H new ATOM 0 HG13 VAL A 46 -3.714 -4.573 -1.952 1.00 10.00 H new ATOM 0 HG21 VAL A 46 -2.107 -2.107 -2.045 1.00 10.00 H new ATOM 0 HG22 VAL A 46 -3.431 -2.540 -3.153 1.00 10.00 H new ATOM 0 HG23 VAL A 46 -3.445 -0.966 -2.321 1.00 10.00 H new ATOM 714 N LYS A 47 -6.064 -4.693 -2.329 1.00 10.00 N ATOM 715 CA LYS A 47 -6.488 -5.490 -3.473 1.00 10.00 C ATOM 716 C LYS A 47 -7.974 -5.268 -3.786 1.00 10.00 C ATOM 717 O LYS A 47 -8.396 -5.309 -4.936 1.00 10.00 O ATOM 718 CB LYS A 47 -6.066 -6.959 -3.322 1.00 10.00 C ATOM 719 CG LYS A 47 -7.089 -7.935 -2.727 1.00 10.00 C ATOM 720 CD LYS A 47 -8.233 -8.206 -3.715 1.00 10.00 C ATOM 721 CE LYS A 47 -8.747 -9.644 -3.630 1.00 10.00 C ATOM 722 NZ LYS A 47 -9.820 -9.867 -4.622 1.00 10.00 N ATOM 0 H LYS A 47 -5.830 -5.225 -1.491 1.00 10.00 H new ATOM 0 HA LYS A 47 -5.961 -5.143 -4.362 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -5.782 -7.330 -4.307 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -5.172 -6.989 -2.700 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -6.596 -8.873 -2.471 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -7.493 -7.524 -1.802 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -9.054 -7.517 -3.515 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -7.889 -8.005 -4.730 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -7.928 -10.341 -3.808 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -9.123 -9.844 -2.627 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -10.159 -10.848 -4.552 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -10.608 -9.214 -4.434 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -9.449 -9.696 -5.579 1.00 10.00 H new ATOM 736 N THR A 48 -8.784 -5.057 -2.747 1.00 10.00 N ATOM 737 CA THR A 48 -10.205 -4.724 -2.906 1.00 10.00 C ATOM 738 C THR A 48 -10.409 -3.268 -3.362 1.00 10.00 C ATOM 739 O THR A 48 -11.345 -2.984 -4.105 1.00 10.00 O ATOM 740 CB THR A 48 -10.984 -5.059 -1.620 1.00 10.00 C ATOM 741 OG1 THR A 48 -12.331 -5.340 -1.885 1.00 10.00 O ATOM 742 CG2 THR A 48 -10.983 -3.932 -0.595 1.00 10.00 C ATOM 0 H THR A 48 -8.478 -5.111 -1.776 1.00 10.00 H new ATOM 0 HA THR A 48 -10.612 -5.344 -3.705 1.00 10.00 H new ATOM 0 HB THR A 48 -10.462 -5.927 -1.217 1.00 10.00 H new ATOM 0 HG1 THR A 48 -12.793 -5.549 -1.046 1.00 10.00 H new ATOM 0 HG21 THR A 48 -11.550 -4.239 0.284 1.00 10.00 H new ATOM 0 HG22 THR A 48 -9.957 -3.706 -0.304 1.00 10.00 H new ATOM 0 HG23 THR A 48 -11.441 -3.044 -1.030 1.00 10.00 H new ATOM 750 N GLY A 49 -9.528 -2.349 -2.941 1.00 10.00 N ATOM 751 CA GLY A 49 -9.669 -0.915 -3.181 1.00 10.00 C ATOM 752 C GLY A 49 -10.495 -0.213 -2.098 1.00 10.00 C ATOM 753 O GLY A 49 -11.701 -0.419 -1.990 1.00 10.00 O ATOM 0 H GLY A 49 -8.687 -2.590 -2.417 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -8.680 -0.460 -3.230 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -10.141 -0.758 -4.151 1.00 10.00 H new ATOM 757 N LEU A 50 -9.845 0.642 -1.304 1.00 10.00 N ATOM 758 CA LEU A 50 -10.512 1.553 -0.375 1.00 10.00 C ATOM 759 C LEU A 50 -11.080 2.786 -1.124 1.00 10.00 C ATOM 760 O LEU A 50 -11.006 2.858 -2.345 1.00 10.00 O ATOM 761 CB LEU A 50 -9.503 1.909 0.724 1.00 10.00 C ATOM 762 CG LEU A 50 -10.160 2.203 2.084 1.00 10.00 C ATOM 763 CD1 LEU A 50 -9.999 1.023 3.041 1.00 10.00 C ATOM 764 CD2 LEU A 50 -9.518 3.437 2.704 1.00 10.00 C ATOM 0 H LEU A 50 -8.828 0.721 -1.289 1.00 10.00 H new ATOM 0 HA LEU A 50 -11.379 1.084 0.091 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -8.798 1.086 0.840 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -8.928 2.780 0.411 1.00 10.00 H new ATOM 0 HG LEU A 50 -11.224 2.374 1.917 1.00 10.00 H new ATOM 0 HD11 LEU A 50 -10.473 1.260 3.994 1.00 10.00 H new ATOM 0 HD12 LEU A 50 -10.470 0.139 2.611 1.00 10.00 H new ATOM 0 HD13 LEU A 50 -8.939 0.827 3.202 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -9.984 3.645 3.667 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -8.452 3.260 2.847 1.00 10.00 H new ATOM 0 HD23 LEU A 50 -9.658 4.291 2.042 1.00 10.00 H new ATOM 776 N ASN A 51 -11.647 3.775 -0.422 1.00 10.00 N ATOM 777 CA ASN A 51 -12.538 4.799 -1.007 1.00 10.00 C ATOM 778 C ASN A 51 -11.918 5.554 -2.182 1.00 10.00 C ATOM 779 O ASN A 51 -12.373 5.464 -3.318 1.00 10.00 O ATOM 780 CB ASN A 51 -13.009 5.813 0.052 1.00 10.00 C ATOM 781 CG ASN A 51 -13.301 5.113 1.359 1.00 10.00 C ATOM 782 OD1 ASN A 51 -12.276 5.046 2.192 1.00 10.00 O flip ATOM 783 ND2 ASN A 51 -14.363 4.547 1.575 1.00 10.00 N flip ATOM 0 H ASN A 51 -11.502 3.893 0.581 1.00 10.00 H new ATOM 0 HA ASN A 51 -13.392 4.240 -1.389 1.00 10.00 H new ATOM 0 HB2 ASN A 51 -12.243 6.573 0.203 1.00 10.00 H new ATOM 0 HB3 ASN A 51 -13.903 6.327 -0.300 1.00 10.00 H new ATOM 0 HD21 ASN A 51 -15.128 4.625 0.905 1.00 10.00 H new ATOM 0 HD22 ASN A 51 -14.484 3.996 2.425 1.00 10.00 H new ATOM 790 N ALA A 52 -10.851 6.298 -1.890 1.00 10.00 N ATOM 791 CA ALA A 52 -10.042 6.971 -2.895 1.00 10.00 C ATOM 792 C ALA A 52 -9.052 6.019 -3.588 1.00 10.00 C ATOM 793 O ALA A 52 -8.185 6.490 -4.324 1.00 10.00 O ATOM 794 CB ALA A 52 -9.296 8.112 -2.204 1.00 10.00 C ATOM 0 H ALA A 52 -10.524 6.449 -0.936 1.00 10.00 H new ATOM 0 HA ALA A 52 -10.695 7.351 -3.681 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -8.679 8.637 -2.933 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -10.015 8.806 -1.770 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -8.661 7.707 -1.416 1.00 10.00 H new ATOM 800 N MET A 53 -9.139 4.701 -3.342 1.00 10.00 N ATOM 801 CA MET A 53 -8.190 3.724 -3.883 1.00 10.00 C ATOM 802 C MET A 53 -8.732 2.914 -5.075 1.00 10.00 C ATOM 803 O MET A 53 -9.874 2.461 -5.062 1.00 10.00 O ATOM 804 CB MET A 53 -7.715 2.795 -2.753 1.00 10.00 C ATOM 805 CG MET A 53 -6.217 2.953 -2.490 1.00 10.00 C ATOM 806 SD MET A 53 -5.760 2.737 -0.763 1.00 10.00 S ATOM 807 CE MET A 53 -5.628 0.942 -0.663 1.00 10.00 C ATOM 0 H MET A 53 -9.870 4.287 -2.763 1.00 10.00 H new ATOM 0 HA MET A 53 -7.349 4.289 -4.285 1.00 10.00 H new ATOM 0 HB2 MET A 53 -8.271 3.015 -1.842 1.00 10.00 H new ATOM 0 HB3 MET A 53 -7.932 1.760 -3.016 1.00 10.00 H new ATOM 0 HG2 MET A 53 -5.672 2.228 -3.094 1.00 10.00 H new ATOM 0 HG3 MET A 53 -5.902 3.943 -2.819 1.00 10.00 H new ATOM 0 HE1 MET A 53 -5.562 0.640 0.382 1.00 10.00 H new ATOM 0 HE2 MET A 53 -6.508 0.487 -1.118 1.00 10.00 H new ATOM 0 HE3 MET A 53 -4.734 0.613 -1.193 1.00 10.00 H new ATOM 817 N PRO A 54 -7.907 2.676 -6.110 1.00 10.00 N ATOM 818 CA PRO A 54 -8.294 1.830 -7.228 1.00 10.00 C ATOM 819 C PRO A 54 -8.445 0.364 -6.783 1.00 10.00 C ATOM 820 O PRO A 54 -7.631 -0.126 -5.993 1.00 10.00 O ATOM 821 CB PRO A 54 -7.187 2.005 -8.273 1.00 10.00 C ATOM 822 CG PRO A 54 -5.969 2.396 -7.439 1.00 10.00 C ATOM 823 CD PRO A 54 -6.558 3.189 -6.282 1.00 10.00 C ATOM 0 HA PRO A 54 -9.265 2.110 -7.638 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -7.013 1.085 -8.831 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -7.440 2.776 -9.000 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -5.427 1.518 -7.087 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -5.265 2.995 -8.016 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -5.969 3.057 -5.375 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -6.569 4.256 -6.502 1.00 10.00 H new ATOM 831 N PRO A 55 -9.462 -0.352 -7.295 1.00 10.00 N ATOM 832 CA PRO A 55 -9.714 -1.745 -6.955 1.00 10.00 C ATOM 833 C PRO A 55 -8.560 -2.611 -7.451 1.00 10.00 C ATOM 834 O PRO A 55 -8.446 -2.874 -8.646 1.00 10.00 O ATOM 835 CB PRO A 55 -11.059 -2.087 -7.604 1.00 10.00 C ATOM 836 CG PRO A 55 -11.106 -1.160 -8.816 1.00 10.00 C ATOM 837 CD PRO A 55 -10.402 0.099 -8.311 1.00 10.00 C ATOM 0 HA PRO A 55 -9.770 -1.926 -5.882 1.00 10.00 H new ATOM 0 HB2 PRO A 55 -11.110 -3.136 -7.897 1.00 10.00 H new ATOM 0 HB3 PRO A 55 -11.892 -1.905 -6.925 1.00 10.00 H new ATOM 0 HG2 PRO A 55 -10.593 -1.592 -9.675 1.00 10.00 H new ATOM 0 HG3 PRO A 55 -12.130 -0.953 -9.127 1.00 10.00 H new ATOM 0 HD2 PRO A 55 -9.885 0.610 -9.123 1.00 10.00 H new ATOM 0 HD3 PRO A 55 -11.118 0.807 -7.894 1.00 10.00 H new ATOM 845 N GLY A 56 -7.675 -3.010 -6.532 1.00 10.00 N ATOM 846 CA GLY A 56 -6.463 -3.752 -6.856 1.00 10.00 C ATOM 847 C GLY A 56 -5.181 -2.940 -6.658 1.00 10.00 C ATOM 848 O GLY A 56 -4.115 -3.342 -7.129 1.00 10.00 O ATOM 0 H GLY A 56 -7.785 -2.823 -5.535 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -6.417 -4.647 -6.235 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -6.516 -4.086 -7.892 1.00 10.00 H new ATOM 852 N GLY A 57 -5.252 -1.780 -5.995 1.00 10.00 N ATOM 853 CA GLY A 57 -4.085 -0.923 -5.806 1.00 10.00 C ATOM 854 C GLY A 57 -3.432 -0.546 -7.139 1.00 10.00 C ATOM 855 O GLY A 57 -2.211 -0.459 -7.235 1.00 10.00 O ATOM 0 H GLY A 57 -6.110 -1.416 -5.581 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -4.382 -0.017 -5.278 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -3.357 -1.435 -5.177 1.00 10.00 H new ATOM 859 N MET A 58 -4.272 -0.376 -8.168 1.00 10.00 N ATOM 860 CA MET A 58 -3.922 -0.064 -9.552 1.00 10.00 C ATOM 861 C MET A 58 -3.312 -1.247 -10.328 1.00 10.00 C ATOM 862 O MET A 58 -3.140 -1.151 -11.542 1.00 10.00 O ATOM 863 CB MET A 58 -3.066 1.216 -9.607 1.00 10.00 C ATOM 864 CG MET A 58 -3.162 1.937 -10.962 1.00 10.00 C ATOM 865 SD MET A 58 -1.723 1.785 -12.052 1.00 10.00 S ATOM 866 CE MET A 58 -2.565 1.531 -13.626 1.00 10.00 C ATOM 0 H MET A 58 -5.281 -0.459 -8.043 1.00 10.00 H new ATOM 0 HA MET A 58 -4.852 0.133 -10.085 1.00 10.00 H new ATOM 0 HB2 MET A 58 -3.384 1.895 -8.816 1.00 10.00 H new ATOM 0 HB3 MET A 58 -2.025 0.961 -9.409 1.00 10.00 H new ATOM 0 HG2 MET A 58 -4.035 1.556 -11.492 1.00 10.00 H new ATOM 0 HG3 MET A 58 -3.340 2.996 -10.775 1.00 10.00 H new ATOM 0 HE1 MET A 58 -1.826 1.417 -14.419 1.00 10.00 H new ATOM 0 HE2 MET A 58 -3.179 0.632 -13.569 1.00 10.00 H new ATOM 0 HE3 MET A 58 -3.200 2.391 -13.842 1.00 10.00 H new ATOM 876 N CYS A 59 -3.023 -2.375 -9.666 1.00 10.00 N ATOM 877 CA CYS A 59 -2.324 -3.501 -10.274 1.00 10.00 C ATOM 878 C CYS A 59 -3.266 -4.678 -10.563 1.00 10.00 C ATOM 879 O CYS A 59 -3.785 -5.311 -9.648 1.00 10.00 O ATOM 880 CB CYS A 59 -1.188 -3.939 -9.357 1.00 10.00 C ATOM 881 SG CYS A 59 -0.038 -5.053 -10.184 1.00 10.00 S ATOM 0 H CYS A 59 -3.271 -2.527 -8.688 1.00 10.00 H new ATOM 0 HA CYS A 59 -1.922 -3.175 -11.233 1.00 10.00 H new ATOM 0 HB2 CYS A 59 -0.649 -3.060 -9.003 1.00 10.00 H new ATOM 0 HB3 CYS A 59 -1.602 -4.434 -8.479 1.00 10.00 H new ATOM 886 N THR A 60 -3.464 -4.990 -11.845 1.00 10.00 N ATOM 887 CA THR A 60 -4.251 -6.134 -12.303 1.00 10.00 C ATOM 888 C THR A 60 -3.502 -7.452 -12.048 1.00 10.00 C ATOM 889 O THR A 60 -4.023 -8.361 -11.408 1.00 10.00 O ATOM 890 CB THR A 60 -4.538 -5.952 -13.800 1.00 10.00 C ATOM 891 OG1 THR A 60 -3.319 -5.697 -14.471 1.00 10.00 O ATOM 892 CG2 THR A 60 -5.453 -4.749 -14.046 1.00 10.00 C ATOM 0 H THR A 60 -3.072 -4.441 -12.610 1.00 10.00 H new ATOM 0 HA THR A 60 -5.188 -6.183 -11.749 1.00 10.00 H new ATOM 0 HB THR A 60 -5.021 -6.859 -14.164 1.00 10.00 H new ATOM 0 HG1 THR A 60 -3.491 -5.581 -15.429 1.00 10.00 H new ATOM 0 HG21 THR A 60 -5.638 -4.645 -15.115 1.00 10.00 H new ATOM 0 HG22 THR A 60 -6.399 -4.899 -13.527 1.00 10.00 H new ATOM 0 HG23 THR A 60 -4.973 -3.845 -13.672 1.00 10.00 H new ATOM 900 N ASP A 61 -2.261 -7.520 -12.536 1.00 10.00 N ATOM 901 CA ASP A 61 -1.329 -8.625 -12.388 1.00 10.00 C ATOM 902 C ASP A 61 -0.311 -8.278 -11.291 1.00 10.00 C ATOM 903 O ASP A 61 0.823 -7.916 -11.591 1.00 10.00 O ATOM 904 CB ASP A 61 -0.578 -8.864 -13.712 1.00 10.00 C ATOM 905 CG ASP A 61 -1.420 -9.005 -14.960 1.00 10.00 C ATOM 906 OD1 ASP A 61 -2.292 -9.896 -14.981 1.00 10.00 O ATOM 907 OD2 ASP A 61 -1.106 -8.222 -15.893 1.00 10.00 O ATOM 0 H ASP A 61 -1.862 -6.754 -13.078 1.00 10.00 H new ATOM 0 HA ASP A 61 -1.881 -9.526 -12.120 1.00 10.00 H new ATOM 0 HB2 ASP A 61 0.116 -8.037 -13.863 1.00 10.00 H new ATOM 0 HB3 ASP A 61 0.022 -9.768 -13.604 1.00 10.00 H new ATOM 912 N CYS A 62 -0.697 -8.379 -10.022 1.00 10.00 N ATOM 913 CA CYS A 62 0.246 -8.459 -8.902 1.00 10.00 C ATOM 914 C CYS A 62 -0.006 -9.718 -8.066 1.00 10.00 C ATOM 915 O CYS A 62 -1.145 -9.995 -7.696 1.00 10.00 O ATOM 916 CB CYS A 62 0.164 -7.214 -8.015 1.00 10.00 C ATOM 917 SG CYS A 62 1.116 -5.791 -8.591 1.00 10.00 S ATOM 0 H CYS A 62 -1.676 -8.408 -9.737 1.00 10.00 H new ATOM 0 HA CYS A 62 1.250 -8.513 -9.323 1.00 10.00 H new ATOM 0 HB2 CYS A 62 -0.882 -6.919 -7.927 1.00 10.00 H new ATOM 0 HB3 CYS A 62 0.506 -7.478 -7.014 1.00 10.00 H new ATOM 922 N THR A 63 1.051 -10.469 -7.739 1.00 10.00 N ATOM 923 CA THR A 63 0.958 -11.574 -6.795 1.00 10.00 C ATOM 924 C THR A 63 0.961 -11.044 -5.359 1.00 10.00 C ATOM 925 O THR A 63 1.385 -9.918 -5.107 1.00 10.00 O ATOM 926 CB THR A 63 2.152 -12.519 -6.967 1.00 10.00 C ATOM 927 OG1 THR A 63 3.304 -11.965 -6.368 1.00 10.00 O ATOM 928 CG2 THR A 63 2.428 -12.903 -8.424 1.00 10.00 C ATOM 0 H THR A 63 1.986 -10.325 -8.121 1.00 10.00 H new ATOM 0 HA THR A 63 0.030 -12.111 -6.990 1.00 10.00 H new ATOM 0 HB THR A 63 1.887 -13.447 -6.460 1.00 10.00 H new ATOM 0 HG1 THR A 63 3.690 -11.290 -6.964 1.00 10.00 H new ATOM 0 HG21 THR A 63 3.287 -13.573 -8.467 1.00 10.00 H new ATOM 0 HG22 THR A 63 1.554 -13.405 -8.840 1.00 10.00 H new ATOM 0 HG23 THR A 63 2.640 -12.004 -9.003 1.00 10.00 H new ATOM 936 N ASP A 64 0.545 -11.867 -4.395 1.00 10.00 N ATOM 937 CA ASP A 64 0.726 -11.556 -2.984 1.00 10.00 C ATOM 938 C ASP A 64 2.192 -11.291 -2.624 1.00 10.00 C ATOM 939 O ASP A 64 2.465 -10.369 -1.862 1.00 10.00 O ATOM 940 CB ASP A 64 0.131 -12.679 -2.135 1.00 10.00 C ATOM 941 CG ASP A 64 -1.236 -12.296 -1.597 1.00 10.00 C ATOM 942 OD1 ASP A 64 -2.221 -12.539 -2.325 1.00 10.00 O ATOM 943 OD2 ASP A 64 -1.254 -11.743 -0.474 1.00 10.00 O ATOM 0 H ASP A 64 0.079 -12.757 -4.571 1.00 10.00 H new ATOM 0 HA ASP A 64 0.196 -10.628 -2.770 1.00 10.00 H new ATOM 0 HB2 ASP A 64 0.048 -13.586 -2.734 1.00 10.00 H new ATOM 0 HB3 ASP A 64 0.801 -12.905 -1.305 1.00 10.00 H new ATOM 948 N GLU A 65 3.139 -12.063 -3.172 1.00 10.00 N ATOM 949 CA GLU A 65 4.564 -11.814 -2.969 1.00 10.00 C ATOM 950 C GLU A 65 4.921 -10.370 -3.357 1.00 10.00 C ATOM 951 O GLU A 65 5.463 -9.622 -2.542 1.00 10.00 O ATOM 952 CB GLU A 65 5.406 -12.849 -3.733 1.00 10.00 C ATOM 953 CG GLU A 65 5.134 -14.281 -3.239 1.00 10.00 C ATOM 954 CD GLU A 65 6.152 -15.291 -3.761 1.00 10.00 C ATOM 955 OE1 GLU A 65 6.091 -15.586 -4.973 1.00 10.00 O ATOM 956 OE2 GLU A 65 6.961 -15.756 -2.930 1.00 10.00 O ATOM 0 H GLU A 65 2.937 -12.870 -3.763 1.00 10.00 H new ATOM 0 HA GLU A 65 4.797 -11.928 -1.910 1.00 10.00 H new ATOM 0 HB2 GLU A 65 5.184 -12.783 -4.798 1.00 10.00 H new ATOM 0 HB3 GLU A 65 6.464 -12.617 -3.613 1.00 10.00 H new ATOM 0 HG2 GLU A 65 5.144 -14.292 -2.149 1.00 10.00 H new ATOM 0 HG3 GLU A 65 4.135 -14.585 -3.552 1.00 10.00 H new ATOM 963 N ASP A 66 4.535 -9.948 -4.565 1.00 10.00 N ATOM 964 CA ASP A 66 4.872 -8.618 -5.062 1.00 10.00 C ATOM 965 C ASP A 66 4.050 -7.523 -4.342 1.00 10.00 C ATOM 966 O ASP A 66 4.588 -6.467 -4.010 1.00 10.00 O ATOM 967 CB ASP A 66 4.748 -8.594 -6.595 1.00 10.00 C ATOM 968 CG ASP A 66 5.549 -9.698 -7.256 1.00 10.00 C ATOM 969 OD1 ASP A 66 6.787 -9.670 -7.105 1.00 10.00 O ATOM 970 OD2 ASP A 66 4.888 -10.557 -7.881 1.00 10.00 O ATOM 0 H ASP A 66 3.988 -10.512 -5.215 1.00 10.00 H new ATOM 0 HA ASP A 66 5.911 -8.386 -4.827 1.00 10.00 H new ATOM 0 HB2 ASP A 66 3.699 -8.693 -6.874 1.00 10.00 H new ATOM 0 HB3 ASP A 66 5.087 -7.628 -6.969 1.00 10.00 H new ATOM 975 N TYR A 67 2.774 -7.778 -4.009 1.00 10.00 N ATOM 976 CA TYR A 67 1.977 -6.853 -3.199 1.00 10.00 C ATOM 977 C TYR A 67 2.596 -6.652 -1.810 1.00 10.00 C ATOM 978 O TYR A 67 2.812 -5.529 -1.364 1.00 10.00 O ATOM 979 CB TYR A 67 0.547 -7.387 -3.028 1.00 10.00 C ATOM 980 CG TYR A 67 -0.468 -6.992 -4.082 1.00 10.00 C ATOM 981 CD1 TYR A 67 -0.838 -5.638 -4.209 1.00 10.00 C ATOM 982 CD2 TYR A 67 -1.241 -7.984 -4.715 1.00 10.00 C ATOM 983 CE1 TYR A 67 -1.954 -5.277 -4.985 1.00 10.00 C ATOM 984 CE2 TYR A 67 -2.368 -7.623 -5.472 1.00 10.00 C ATOM 985 CZ TYR A 67 -2.722 -6.274 -5.609 1.00 10.00 C ATOM 986 OH TYR A 67 -3.821 -5.943 -6.334 1.00 10.00 O ATOM 0 H TYR A 67 2.274 -8.621 -4.291 1.00 10.00 H new ATOM 0 HA TYR A 67 1.958 -5.897 -3.722 1.00 10.00 H new ATOM 0 HB2 TYR A 67 0.594 -8.475 -2.995 1.00 10.00 H new ATOM 0 HB3 TYR A 67 0.175 -7.054 -2.059 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -0.262 -4.874 -3.708 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -0.967 -9.024 -4.618 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -2.220 -4.237 -5.101 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -2.963 -8.387 -5.950 1.00 10.00 H new ATOM 0 HH TYR A 67 -3.705 -5.047 -6.713 1.00 10.00 H new ATOM 996 N LYS A 68 2.877 -7.749 -1.110 1.00 10.00 N ATOM 997 CA LYS A 68 3.414 -7.734 0.243 1.00 10.00 C ATOM 998 C LYS A 68 4.789 -7.084 0.245 1.00 10.00 C ATOM 999 O LYS A 68 5.011 -6.186 1.042 1.00 10.00 O ATOM 1000 CB LYS A 68 3.444 -9.140 0.852 1.00 10.00 C ATOM 1001 CG LYS A 68 2.032 -9.576 1.259 1.00 10.00 C ATOM 1002 CD LYS A 68 2.033 -11.062 1.637 1.00 10.00 C ATOM 1003 CE LYS A 68 0.758 -11.467 2.384 1.00 10.00 C ATOM 1004 NZ LYS A 68 0.805 -11.066 3.805 1.00 10.00 N ATOM 0 H LYS A 68 2.734 -8.690 -1.477 1.00 10.00 H new ATOM 0 HA LYS A 68 2.754 -7.139 0.874 1.00 10.00 H new ATOM 0 HB2 LYS A 68 3.856 -9.847 0.132 1.00 10.00 H new ATOM 0 HB3 LYS A 68 4.100 -9.152 1.722 1.00 10.00 H new ATOM 0 HG2 LYS A 68 1.686 -8.978 2.102 1.00 10.00 H new ATOM 0 HG3 LYS A 68 1.337 -9.401 0.438 1.00 10.00 H new ATOM 0 HD2 LYS A 68 2.131 -11.665 0.734 1.00 10.00 H new ATOM 0 HD3 LYS A 68 2.901 -11.277 2.260 1.00 10.00 H new ATOM 0 HE2 LYS A 68 -0.106 -11.007 1.905 1.00 10.00 H new ATOM 0 HE3 LYS A 68 0.623 -12.546 2.315 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 0.249 -11.736 4.373 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 1.792 -11.069 4.134 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 0.408 -10.111 3.909 1.00 10.00 H new ATOM 1018 N ALA A 69 5.671 -7.465 -0.684 1.00 10.00 N ATOM 1019 CA ALA A 69 6.919 -6.747 -0.929 1.00 10.00 C ATOM 1020 C ALA A 69 6.694 -5.231 -1.112 1.00 10.00 C ATOM 1021 O ALA A 69 7.448 -4.408 -0.602 1.00 10.00 O ATOM 1022 CB ALA A 69 7.616 -7.367 -2.140 1.00 10.00 C ATOM 0 H ALA A 69 5.538 -8.279 -1.285 1.00 10.00 H new ATOM 0 HA ALA A 69 7.560 -6.847 -0.053 1.00 10.00 H new ATOM 0 HB1 ALA A 69 8.550 -6.839 -2.332 1.00 10.00 H new ATOM 0 HB2 ALA A 69 7.828 -8.417 -1.940 1.00 10.00 H new ATOM 0 HB3 ALA A 69 6.968 -7.288 -3.013 1.00 10.00 H new ATOM 1028 N ALA A 70 5.636 -4.840 -1.828 1.00 10.00 N ATOM 1029 CA ALA A 70 5.326 -3.434 -2.101 1.00 10.00 C ATOM 1030 C ALA A 70 4.828 -2.701 -0.850 1.00 10.00 C ATOM 1031 O ALA A 70 5.214 -1.562 -0.619 1.00 10.00 O ATOM 1032 CB ALA A 70 4.354 -3.311 -3.278 1.00 10.00 C ATOM 0 H ALA A 70 4.967 -5.493 -2.236 1.00 10.00 H new ATOM 0 HA ALA A 70 6.252 -2.937 -2.390 1.00 10.00 H new ATOM 0 HB1 ALA A 70 4.138 -2.259 -3.463 1.00 10.00 H new ATOM 0 HB2 ALA A 70 4.803 -3.751 -4.168 1.00 10.00 H new ATOM 0 HB3 ALA A 70 3.428 -3.835 -3.042 1.00 10.00 H new ATOM 1038 N ILE A 71 4.003 -3.352 -0.030 1.00 10.00 N ATOM 1039 CA ILE A 71 3.582 -2.849 1.281 1.00 10.00 C ATOM 1040 C ILE A 71 4.774 -2.764 2.258 1.00 10.00 C ATOM 1041 O ILE A 71 5.074 -1.710 2.822 1.00 10.00 O ATOM 1042 CB ILE A 71 2.407 -3.729 1.783 1.00 10.00 C ATOM 1043 CG1 ILE A 71 1.035 -3.173 1.356 1.00 10.00 C ATOM 1044 CG2 ILE A 71 2.445 -4.054 3.283 1.00 10.00 C ATOM 1045 CD1 ILE A 71 0.557 -3.805 0.050 1.00 10.00 C ATOM 0 H ILE A 71 3.600 -4.260 -0.261 1.00 10.00 H new ATOM 0 HA ILE A 71 3.220 -1.824 1.206 1.00 10.00 H new ATOM 0 HB ILE A 71 2.552 -4.685 1.281 1.00 10.00 H new ATOM 0 HG12 ILE A 71 0.304 -3.362 2.142 1.00 10.00 H new ATOM 0 HG13 ILE A 71 1.101 -2.092 1.236 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.586 -4.672 3.543 1.00 10.00 H new ATOM 0 HG22 ILE A 71 3.364 -4.593 3.515 1.00 10.00 H new ATOM 0 HG23 ILE A 71 2.412 -3.128 3.857 1.00 10.00 H new ATOM 0 HD11 ILE A 71 -0.414 -3.390 -0.221 1.00 10.00 H new ATOM 0 HD12 ILE A 71 1.276 -3.593 -0.741 1.00 10.00 H new ATOM 0 HD13 ILE A 71 0.467 -4.884 0.179 1.00 10.00 H new ATOM 1057 N GLU A 72 5.482 -3.877 2.463 1.00 10.00 N ATOM 1058 CA GLU A 72 6.605 -3.966 3.389 1.00 10.00 C ATOM 1059 C GLU A 72 7.819 -3.135 2.964 1.00 10.00 C ATOM 1060 O GLU A 72 8.560 -2.699 3.843 1.00 10.00 O ATOM 1061 CB GLU A 72 6.933 -5.432 3.714 1.00 10.00 C ATOM 1062 CG GLU A 72 7.651 -6.146 2.560 1.00 10.00 C ATOM 1063 CD GLU A 72 9.163 -6.216 2.722 1.00 10.00 C ATOM 1064 OE1 GLU A 72 9.594 -7.000 3.594 1.00 10.00 O ATOM 1065 OE2 GLU A 72 9.852 -5.508 1.959 1.00 10.00 O ATOM 0 H GLU A 72 5.285 -4.754 1.981 1.00 10.00 H new ATOM 0 HA GLU A 72 6.291 -3.500 4.323 1.00 10.00 H new ATOM 0 HB2 GLU A 72 7.558 -5.471 4.606 1.00 10.00 H new ATOM 0 HB3 GLU A 72 6.011 -5.964 3.948 1.00 10.00 H new ATOM 0 HG2 GLU A 72 7.258 -7.159 2.472 1.00 10.00 H new ATOM 0 HG3 GLU A 72 7.419 -5.632 1.627 1.00 10.00 H new ATOM 1072 N PHE A 73 7.968 -2.812 1.667 1.00 10.00 N ATOM 1073 CA PHE A 73 8.946 -1.819 1.219 1.00 10.00 C ATOM 1074 C PHE A 73 8.941 -0.579 2.127 1.00 10.00 C ATOM 1075 O PHE A 73 9.990 -0.105 2.561 1.00 10.00 O ATOM 1076 CB PHE A 73 8.653 -1.414 -0.233 1.00 10.00 C ATOM 1077 CG PHE A 73 9.569 -0.324 -0.761 1.00 10.00 C ATOM 1078 CD1 PHE A 73 9.334 1.024 -0.423 1.00 10.00 C ATOM 1079 CD2 PHE A 73 10.716 -0.665 -1.498 1.00 10.00 C ATOM 1080 CE1 PHE A 73 10.289 2.007 -0.730 1.00 10.00 C ATOM 1081 CE2 PHE A 73 11.631 0.333 -1.878 1.00 10.00 C ATOM 1082 CZ PHE A 73 11.428 1.665 -1.478 1.00 10.00 C ATOM 0 H PHE A 73 7.420 -3.228 0.914 1.00 10.00 H new ATOM 0 HA PHE A 73 9.937 -2.270 1.275 1.00 10.00 H new ATOM 0 HB2 PHE A 73 8.744 -2.293 -0.871 1.00 10.00 H new ATOM 0 HB3 PHE A 73 7.620 -1.074 -0.304 1.00 10.00 H new ATOM 0 HD1 PHE A 73 8.416 1.302 0.074 1.00 10.00 H new ATOM 0 HD2 PHE A 73 10.895 -1.694 -1.773 1.00 10.00 H new ATOM 0 HE1 PHE A 73 10.148 3.023 -0.392 1.00 10.00 H new ATOM 0 HE2 PHE A 73 12.491 0.075 -2.478 1.00 10.00 H new ATOM 0 HZ PHE A 73 12.147 2.425 -1.745 1.00 10.00 H new ATOM 1092 N MET A 74 7.746 -0.048 2.411 1.00 10.00 N ATOM 1093 CA MET A 74 7.595 1.133 3.243 1.00 10.00 C ATOM 1094 C MET A 74 7.882 0.841 4.725 1.00 10.00 C ATOM 1095 O MET A 74 8.619 1.580 5.374 1.00 10.00 O ATOM 1096 CB MET A 74 6.179 1.695 3.082 1.00 10.00 C ATOM 1097 CG MET A 74 5.915 2.385 1.734 1.00 10.00 C ATOM 1098 SD MET A 74 5.449 1.337 0.329 1.00 10.00 S ATOM 1099 CE MET A 74 3.636 1.420 0.338 1.00 10.00 C ATOM 0 H MET A 74 6.864 -0.429 2.068 1.00 10.00 H new ATOM 0 HA MET A 74 8.328 1.869 2.912 1.00 10.00 H new ATOM 0 HB2 MET A 74 5.463 0.882 3.206 1.00 10.00 H new ATOM 0 HB3 MET A 74 5.992 2.409 3.884 1.00 10.00 H new ATOM 0 HG2 MET A 74 5.123 3.119 1.882 1.00 10.00 H new ATOM 0 HG3 MET A 74 6.814 2.937 1.458 1.00 10.00 H new ATOM 0 HE1 MET A 74 3.251 1.066 -0.618 1.00 10.00 H new ATOM 0 HE2 MET A 74 3.247 0.793 1.141 1.00 10.00 H new ATOM 0 HE3 MET A 74 3.320 2.451 0.497 1.00 10.00 H new ATOM 1109 N SER A 75 7.260 -0.211 5.271 1.00 10.00 N ATOM 1110 CA SER A 75 7.454 -0.615 6.665 1.00 10.00 C ATOM 1111 C SER A 75 7.261 -2.125 6.860 1.00 10.00 C ATOM 1112 O SER A 75 8.244 -2.828 7.067 1.00 10.00 O ATOM 1113 CB SER A 75 6.567 0.233 7.601 1.00 10.00 C ATOM 1114 OG SER A 75 7.359 0.978 8.508 1.00 10.00 O ATOM 0 H SER A 75 6.609 -0.805 4.757 1.00 10.00 H new ATOM 0 HA SER A 75 8.491 -0.418 6.937 1.00 10.00 H new ATOM 0 HB2 SER A 75 5.950 0.910 7.010 1.00 10.00 H new ATOM 0 HB3 SER A 75 5.888 -0.417 8.153 1.00 10.00 H new ATOM 0 HG SER A 75 6.777 1.509 9.090 1.00 10.00 H new ATOM 1120 N LYS A 76 5.996 -2.588 6.849 1.00 10.00 N ATOM 1121 CA LYS A 76 5.499 -3.949 7.058 1.00 10.00 C ATOM 1122 C LYS A 76 4.036 -3.950 7.553 1.00 10.00 C ATOM 1123 O LYS A 76 3.717 -4.607 8.542 1.00 10.00 O ATOM 1124 CB LYS A 76 6.420 -4.771 7.968 1.00 10.00 C ATOM 1125 CG LYS A 76 6.717 -4.129 9.339 1.00 10.00 C ATOM 1126 CD LYS A 76 8.201 -4.244 9.736 1.00 10.00 C ATOM 1127 CE LYS A 76 8.684 -2.946 10.402 1.00 10.00 C ATOM 1128 NZ LYS A 76 10.144 -2.965 10.624 1.00 10.00 N ATOM 0 H LYS A 76 5.223 -1.946 6.675 1.00 10.00 H new ATOM 0 HA LYS A 76 5.508 -4.444 6.087 1.00 10.00 H new ATOM 0 HB2 LYS A 76 5.967 -5.749 8.131 1.00 10.00 H new ATOM 0 HB3 LYS A 76 7.364 -4.939 7.449 1.00 10.00 H new ATOM 0 HG2 LYS A 76 6.432 -3.077 9.313 1.00 10.00 H new ATOM 0 HG3 LYS A 76 6.102 -4.608 10.101 1.00 10.00 H new ATOM 0 HD2 LYS A 76 8.336 -5.082 10.420 1.00 10.00 H new ATOM 0 HD3 LYS A 76 8.804 -4.452 8.853 1.00 10.00 H new ATOM 0 HE2 LYS A 76 8.421 -2.094 9.775 1.00 10.00 H new ATOM 0 HE3 LYS A 76 8.171 -2.811 11.354 1.00 10.00 H new ATOM 0 HZ1 LYS A 76 10.438 -2.075 11.075 1.00 10.00 H new ATOM 0 HZ2 LYS A 76 10.391 -3.764 11.242 1.00 10.00 H new ATOM 0 HZ3 LYS A 76 10.633 -3.069 9.712 1.00 10.00 H new ATOM 1142 N ALA A 77 3.135 -3.230 6.864 1.00 10.00 N ATOM 1143 CA ALA A 77 1.700 -3.244 7.169 1.00 10.00 C ATOM 1144 C ALA A 77 0.810 -2.671 6.055 1.00 10.00 C ATOM 1145 O ALA A 77 0.212 -3.437 5.308 1.00 10.00 O ATOM 1146 CB ALA A 77 1.421 -2.571 8.516 1.00 10.00 C ATOM 0 H ALA A 77 3.383 -2.624 6.082 1.00 10.00 H new ATOM 0 HA ALA A 77 1.423 -4.296 7.237 1.00 10.00 H new ATOM 0 HB1 ALA A 77 0.350 -2.594 8.719 1.00 10.00 H new ATOM 0 HB2 ALA A 77 1.952 -3.103 9.305 1.00 10.00 H new ATOM 0 HB3 ALA A 77 1.762 -1.536 8.483 1.00 10.00 H new ATOM 1152 N LYS A 78 0.667 -1.342 5.992 1.00 10.00 N ATOM 1153 CA LYS A 78 -0.208 -0.658 5.032 1.00 10.00 C ATOM 1154 C LYS A 78 0.463 -0.287 3.693 1.00 10.00 C ATOM 1155 O LYS A 78 0.019 0.708 3.074 1.00 10.00 O ATOM 1156 CB LYS A 78 -0.893 0.548 5.701 1.00 10.00 C ATOM 1157 CG LYS A 78 0.117 1.636 6.070 1.00 10.00 C ATOM 1158 CD LYS A 78 -0.372 3.069 5.803 1.00 10.00 C ATOM 1159 CE LYS A 78 -0.484 3.914 7.075 1.00 10.00 C ATOM 1160 NZ LYS A 78 -1.871 4.094 7.562 1.00 10.00 N ATOM 1161 OXT LYS A 78 1.399 -1.007 3.295 1.00 10.00 O ATOM 0 H LYS A 78 1.162 -0.703 6.614 1.00 10.00 H new ATOM 0 HA LYS A 78 -0.970 -1.383 4.745 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -1.643 0.961 5.027 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -1.417 0.218 6.598 1.00 10.00 H new ATOM 0 HG2 LYS A 78 0.367 1.541 7.127 1.00 10.00 H new ATOM 0 HG3 LYS A 78 1.036 1.468 5.509 1.00 10.00 H new ATOM 0 HD2 LYS A 78 0.313 3.557 5.110 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -1.345 3.029 5.314 1.00 10.00 H new ATOM 0 HE2 LYS A 78 0.108 3.447 7.862 1.00 10.00 H new ATOM 0 HE3 LYS A 78 -0.047 4.894 6.887 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 -1.889 4.832 8.294 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 -2.483 4.377 6.770 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 -2.217 3.199 7.964 1.00 10.00 H new TER 1175 LYS A 78 HETATM 1176 FE HEC A 90 -3.622 3.710 -0.452 1.00 10.00 FE HETATM 1177 CHA HEC A 90 -5.276 4.110 2.582 1.00 10.00 C HETATM 1178 CHB HEC A 90 -2.011 0.874 0.739 1.00 10.00 C HETATM 1179 CHC HEC A 90 -2.403 3.146 -3.613 1.00 10.00 C HETATM 1180 CHD HEC A 90 -4.951 6.780 -1.507 1.00 10.00 C HETATM 1181 NA HEC A 90 -3.690 2.640 1.304 1.00 10.00 N HETATM 1182 C1A HEC A 90 -4.496 2.952 2.359 1.00 10.00 C HETATM 1183 C2A HEC A 90 -4.394 1.852 3.283 1.00 10.00 C HETATM 1184 C3A HEC A 90 -3.454 0.974 2.795 1.00 10.00 C HETATM 1185 C4A HEC A 90 -2.979 1.495 1.545 1.00 10.00 C HETATM 1186 CMA HEC A 90 -3.149 -0.400 3.314 1.00 10.00 C HETATM 1187 CAA HEC A 90 -5.038 1.820 4.637 1.00 10.00 C HETATM 1188 CBA HEC A 90 -4.244 2.724 5.585 1.00 10.00 C HETATM 1189 CGA HEC A 90 -5.062 3.744 6.347 1.00 10.00 C HETATM 1190 O1A HEC A 90 -4.383 4.586 6.968 1.00 10.00 O HETATM 1191 O2A HEC A 90 -6.305 3.614 6.402 1.00 10.00 O HETATM 1192 NB HEC A 90 -2.451 2.261 -1.288 1.00 10.00 N HETATM 1193 C1B HEC A 90 -1.833 1.254 -0.592 1.00 10.00 C HETATM 1194 C2B HEC A 90 -0.900 0.627 -1.489 1.00 10.00 C HETATM 1195 C3B HEC A 90 -1.108 1.169 -2.740 1.00 10.00 C HETATM 1196 C4B HEC A 90 -2.048 2.257 -2.589 1.00 10.00 C HETATM 1197 CMB HEC A 90 0.168 -0.363 -1.074 1.00 10.00 C HETATM 1198 CAB HEC A 90 -0.322 0.848 -3.991 1.00 10.00 C HETATM 1199 CBB HEC A 90 -0.321 -0.643 -4.360 1.00 10.00 C HETATM 1200 NC HEC A 90 -3.669 4.773 -2.249 1.00 10.00 N HETATM 1201 C1C HEC A 90 -3.142 4.316 -3.416 1.00 10.00 C HETATM 1202 C2C HEC A 90 -3.466 5.279 -4.447 1.00 10.00 C HETATM 1203 C3C HEC A 90 -4.142 6.320 -3.838 1.00 10.00 C HETATM 1204 C4C HEC A 90 -4.275 5.982 -2.439 1.00 10.00 C HETATM 1205 CMC HEC A 90 -3.149 5.157 -5.921 1.00 10.00 C HETATM 1206 CAC HEC A 90 -4.747 7.560 -4.476 1.00 10.00 C HETATM 1207 CBC HEC A 90 -5.248 7.435 -5.910 1.00 10.00 C HETATM 1208 ND HEC A 90 -4.798 5.266 0.445 1.00 10.00 N HETATM 1209 C1D HEC A 90 -5.188 6.405 -0.187 1.00 10.00 C HETATM 1210 C2D HEC A 90 -5.975 7.169 0.751 1.00 10.00 C HETATM 1211 C3D HEC A 90 -6.108 6.412 1.890 1.00 10.00 C HETATM 1212 C4D HEC A 90 -5.354 5.190 1.688 1.00 10.00 C HETATM 1213 CMD HEC A 90 -6.611 8.520 0.529 1.00 10.00 C HETATM 1214 CAD HEC A 90 -7.027 6.765 3.040 1.00 10.00 C HETATM 1215 CBD HEC A 90 -8.509 6.584 2.667 1.00 10.00 C HETATM 1216 CGD HEC A 90 -9.273 7.845 2.290 1.00 10.00 C HETATM 1217 O1D HEC A 90 -9.025 8.889 2.930 1.00 10.00 O HETATM 1218 O2D HEC A 90 -10.118 7.715 1.375 1.00 10.00 O HETATM 0 HMD3 HEC A 90 -5.838 9.252 0.294 1.00 10.00 H new HETATM 0 HMD2 HEC A 90 -7.316 8.458 -0.300 1.00 10.00 H new HETATM 0 HMD1 HEC A 90 -7.139 8.827 1.432 1.00 10.00 H new HETATM 0 HMC3 HEC A 90 -2.070 5.079 -6.056 1.00 10.00 H new HETATM 0 HMC2 HEC A 90 -3.631 4.266 -6.324 1.00 10.00 H new HETATM 0 HMC1 HEC A 90 -3.517 6.038 -6.447 1.00 10.00 H new HETATM 0 HMB3 HEC A 90 0.843 0.108 -0.359 1.00 10.00 H new HETATM 0 HMB2 HEC A 90 -0.301 -1.232 -0.612 1.00 10.00 H new HETATM 0 HMB1 HEC A 90 0.732 -0.679 -1.952 1.00 10.00 H new HETATM 0 HMA3 HEC A 90 -2.828 -0.333 4.354 1.00 10.00 H new HETATM 0 HMA2 HEC A 90 -4.043 -1.020 3.249 1.00 10.00 H new HETATM 0 HMA1 HEC A 90 -2.354 -0.846 2.717 1.00 10.00 H new HETATM 0 HBD2 HEC A 90 -8.568 5.887 1.831 1.00 10.00 H new HETATM 0 HBD1 HEC A 90 -9.018 6.116 3.509 1.00 10.00 H new HETATM 0 HBC3 HEC A 90 -4.422 7.149 -6.560 1.00 10.00 H new HETATM 0 HBC2 HEC A 90 -6.028 6.675 -5.958 1.00 10.00 H new HETATM 0 HBC1 HEC A 90 -5.653 8.392 -6.238 1.00 10.00 H new HETATM 0 HBB3 HEC A 90 0.119 -1.219 -3.546 1.00 10.00 H new HETATM 0 HBB2 HEC A 90 -1.345 -0.977 -4.528 1.00 10.00 H new HETATM 0 HBB1 HEC A 90 0.263 -0.793 -5.268 1.00 10.00 H new HETATM 0 HBA2 HEC A 90 -3.718 2.095 6.303 1.00 10.00 H new HETATM 0 HBA1 HEC A 90 -3.485 3.251 5.007 1.00 10.00 H new HETATM 0 HAD2 HEC A 90 -6.790 6.138 3.900 1.00 10.00 H new HETATM 0 HAD1 HEC A 90 -6.852 7.798 3.341 1.00 10.00 H new HETATM 0 HAA2 HEC A 90 -6.072 2.159 4.571 1.00 10.00 H new HETATM 0 HAA1 HEC A 90 -5.061 0.800 5.020 1.00 10.00 H new HETATM 0 HHD HEC A 90 -5.314 7.754 -1.835 1.00 10.00 H new HETATM 0 HHC HEC A 90 -2.082 2.910 -4.628 1.00 10.00 H new HETATM 0 HHB HEC A 90 -1.389 0.083 1.159 1.00 10.00 H new HETATM 0 HHA HEC A 90 -5.853 4.168 3.505 1.00 10.00 H new HETATM 0 H2D HEC A 90 -10.573 8.570 1.226 1.00 10.00 H new HETATM 0 H2A HEC A 90 -6.730 4.493 6.315 1.00 10.00 H new