USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 878 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 18 HIS HE2 : A 18 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 71 HIS HE2 : A 71 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC H2D : A 104 HEC O2D : A 104 HEC CGD :(short bond) USER MOD NoAdj-H: A 104 HEC H2A : A 104 HEC O2A : A 104 HEC CGA :(short bond) USER MOD Set 1.1: A 40 SER OG : rot 8:sc= 0.941 USER MOD Set 1.2: A 52 ASN : amide:sc= -1.46 K(o=-0.52,f=-2.3!) USER MOD Set 2.1: A 26 HIS : no HE2:sc= -9.69! C(o=-21!,f=-31!) USER MOD Set 2.2: A 31 ASN : amide:sc= -11.6! C(o=-21!,f=-22!) USER MOD Single : A 2 SER OG : rot 25:sc= 0.228 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -31:sc= 0.891 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR N :NH3+ -112:sc= 0.64 (180deg=0.00494) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0.196 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -77:sc= 0.364 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 19 THR OG1 : rot -119:sc= -0.478 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.133 K(o=-0.13,f=-4!) USER MOD Single : A 39 HIS : no HD1:sc= -0.0626 X(o=-0.063,f=-0.23) USER MOD Single : A 42 GLN : amide:sc= -1.7 K(o=-1.7,f=-8.5!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.361 USER MOD Single : A 48 TYR OH : rot 80:sc= -5.67! USER MOD Single : A 49 THR OG1 : rot 170:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0604) USER MOD Single : A 56 ASN : amide:sc= -2.49! C(o=-2.5!,f=-1.8!) USER MOD Single : A 62 ASN : amide:sc= -0.0546 K(o=-0.055,f=-2.1!) USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 64 MET CE :methyl 146:sc= -0.13 (180deg=-0.735) USER MOD Single : A 65 SER OG : rot 72:sc= 0.899 USER MOD Single : A 67 TYR OH : rot 60:sc= -0.0256 USER MOD Single : A 69 THR OG1 : rot 180:sc= -2.75! USER MOD Single : A 70 ASN : amide:sc= -6.54! K(o=-6.5!,f=-4.2) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -170:sc= -3.48! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 133:sc= -0.166 (180deg=-1.13) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -3.69 K(o=-3.7,f=-4.8!) USER MOD Single : A 96 THR OG1 : rot 66:sc= 0.148 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 79:sc= 0.494 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -17.090 5.860 6.323 1.00 0.00 N ATOM 2 CA THR A -5 -16.870 5.350 4.940 1.00 0.00 C ATOM 3 C THR A -5 -15.730 6.133 4.284 1.00 0.00 C ATOM 4 O THR A -5 -15.205 7.072 4.848 1.00 0.00 O ATOM 5 CB THR A -5 -18.149 5.529 4.120 1.00 0.00 C ATOM 6 OG1 THR A -5 -19.247 5.737 4.999 1.00 0.00 O ATOM 7 CG2 THR A -5 -18.398 4.276 3.279 1.00 0.00 C ATOM 0 H1 THR A -5 -16.813 5.130 7.010 1.00 0.00 H new ATOM 0 H2 THR A -5 -16.515 6.713 6.474 1.00 0.00 H new ATOM 0 H3 THR A -5 -18.095 6.093 6.451 1.00 0.00 H new ATOM 0 HA THR A -5 -16.610 4.292 4.980 1.00 0.00 H new ATOM 0 HB THR A -5 -18.041 6.390 3.461 1.00 0.00 H new ATOM 0 HG1 THR A -5 -20.067 5.854 4.476 1.00 0.00 H new ATOM 0 HG21 THR A -5 -19.309 4.405 2.695 1.00 0.00 H new ATOM 0 HG22 THR A -5 -17.556 4.116 2.606 1.00 0.00 H new ATOM 0 HG23 THR A -5 -18.507 3.413 3.936 1.00 0.00 H new ATOM 17 N GLU A -4 -15.346 5.754 3.095 1.00 0.00 N ATOM 18 CA GLU A -4 -14.241 6.475 2.402 1.00 0.00 C ATOM 19 C GLU A -4 -13.120 6.773 3.399 1.00 0.00 C ATOM 20 O GLU A -4 -13.083 6.234 4.487 1.00 0.00 O ATOM 21 CB GLU A -4 -14.773 7.788 1.824 1.00 0.00 C ATOM 22 CG GLU A -4 -15.856 7.487 0.785 1.00 0.00 C ATOM 23 CD GLU A -4 -16.337 8.796 0.155 1.00 0.00 C ATOM 24 OE1 GLU A -4 -15.955 9.844 0.651 1.00 0.00 O ATOM 25 OE2 GLU A -4 -17.077 8.728 -0.811 1.00 0.00 O ATOM 0 H GLU A -4 -15.750 4.976 2.574 1.00 0.00 H new ATOM 0 HA GLU A -4 -13.852 5.854 1.595 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -15.181 8.409 2.621 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -13.960 8.351 1.365 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -15.462 6.824 0.015 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -16.692 6.969 1.255 1.00 0.00 H new ATOM 32 N PHE A -3 -12.202 7.628 3.036 1.00 0.00 N ATOM 33 CA PHE A -3 -11.084 7.961 3.960 1.00 0.00 C ATOM 34 C PHE A -3 -10.832 9.470 3.936 1.00 0.00 C ATOM 35 O PHE A -3 -11.254 10.165 3.033 1.00 0.00 O ATOM 36 CB PHE A -3 -9.819 7.223 3.514 1.00 0.00 C ATOM 37 CG PHE A -3 -9.399 7.720 2.152 1.00 0.00 C ATOM 38 CD1 PHE A -3 -9.978 7.174 1.000 1.00 0.00 C ATOM 39 CD2 PHE A -3 -8.431 8.724 2.040 1.00 0.00 C ATOM 40 CE1 PHE A -3 -9.589 7.634 -0.264 1.00 0.00 C ATOM 41 CE2 PHE A -3 -8.041 9.184 0.776 1.00 0.00 C ATOM 42 CZ PHE A -3 -8.621 8.639 -0.376 1.00 0.00 C ATOM 0 H PHE A -3 -12.180 8.110 2.137 1.00 0.00 H new ATOM 0 HA PHE A -3 -11.346 7.655 4.973 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -9.018 7.385 4.235 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -10.005 6.149 3.480 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -10.724 6.398 1.086 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -7.984 9.145 2.929 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -10.036 7.213 -1.153 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -7.293 9.959 0.690 1.00 0.00 H new ATOM 0 HZ PHE A -3 -8.322 8.994 -1.351 1.00 0.00 H new ATOM 52 N LYS A -2 -10.148 9.983 4.922 1.00 0.00 N ATOM 53 CA LYS A -2 -9.872 11.446 4.956 1.00 0.00 C ATOM 54 C LYS A -2 -8.563 11.732 4.218 1.00 0.00 C ATOM 55 O LYS A -2 -7.623 10.965 4.283 1.00 0.00 O ATOM 56 CB LYS A -2 -9.750 11.910 6.410 1.00 0.00 C ATOM 57 CG LYS A -2 -10.998 11.498 7.196 1.00 0.00 C ATOM 58 CD LYS A -2 -12.222 12.252 6.671 1.00 0.00 C ATOM 59 CE LYS A -2 -13.364 12.136 7.683 1.00 0.00 C ATOM 60 NZ LYS A -2 -13.421 13.372 8.513 1.00 0.00 N ATOM 0 H LYS A -2 -9.769 9.451 5.705 1.00 0.00 H new ATOM 0 HA LYS A -2 -10.689 11.982 4.472 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -8.862 11.474 6.867 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -9.628 12.993 6.446 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -11.156 10.423 7.105 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -10.857 11.711 8.256 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -11.973 13.300 6.505 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -12.531 11.842 5.709 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -14.311 11.990 7.163 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -13.212 11.264 8.320 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -14.197 13.293 9.201 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -12.521 13.492 9.019 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -13.585 14.195 7.899 1.00 0.00 H new ATOM 74 N ALA A -1 -8.495 12.831 3.517 1.00 0.00 N ATOM 75 CA ALA A -1 -7.250 13.166 2.773 1.00 0.00 C ATOM 76 C ALA A -1 -6.473 14.246 3.528 1.00 0.00 C ATOM 77 O ALA A -1 -6.700 14.486 4.697 1.00 0.00 O ATOM 78 CB ALA A -1 -7.613 13.682 1.380 1.00 0.00 C ATOM 0 H ALA A -1 -9.250 13.512 3.428 1.00 0.00 H new ATOM 0 HA ALA A -1 -6.632 12.272 2.683 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -6.702 13.928 0.834 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -8.164 12.912 0.839 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -8.232 14.574 1.472 1.00 0.00 H new ATOM 84 N GLY A 1 -5.558 14.899 2.866 1.00 0.00 N ATOM 85 CA GLY A 1 -4.764 15.964 3.543 1.00 0.00 C ATOM 86 C GLY A 1 -3.985 16.762 2.495 1.00 0.00 C ATOM 87 O GLY A 1 -4.333 17.878 2.165 1.00 0.00 O ATOM 0 H GLY A 1 -5.325 14.741 1.885 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.425 16.626 4.102 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.076 15.519 4.262 1.00 0.00 H new ATOM 91 N SER A 2 -2.937 16.195 1.965 1.00 0.00 N ATOM 92 CA SER A 2 -2.140 16.912 0.936 1.00 0.00 C ATOM 93 C SER A 2 -1.534 15.896 -0.032 1.00 0.00 C ATOM 94 O SER A 2 -0.655 15.134 0.321 1.00 0.00 O ATOM 95 CB SER A 2 -1.023 17.702 1.616 1.00 0.00 C ATOM 96 OG SER A 2 -1.510 18.987 1.980 1.00 0.00 O ATOM 0 H SER A 2 -2.599 15.263 2.202 1.00 0.00 H new ATOM 0 HA SER A 2 -2.784 17.599 0.387 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.672 17.170 2.500 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.171 17.801 0.944 1.00 0.00 H new ATOM 0 HG SER A 2 -2.484 18.950 2.086 1.00 0.00 H new ATOM 102 N ALA A 3 -1.997 15.876 -1.250 1.00 0.00 N ATOM 103 CA ALA A 3 -1.449 14.907 -2.239 1.00 0.00 C ATOM 104 C ALA A 3 0.022 15.225 -2.507 1.00 0.00 C ATOM 105 O ALA A 3 0.813 14.350 -2.798 1.00 0.00 O ATOM 106 CB ALA A 3 -2.240 15.013 -3.544 1.00 0.00 C ATOM 0 H ALA A 3 -2.732 16.489 -1.604 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.533 13.895 -1.842 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.841 14.305 -4.270 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.289 14.785 -3.353 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.155 16.025 -3.940 1.00 0.00 H new ATOM 112 N LYS A 4 0.396 16.472 -2.418 1.00 0.00 N ATOM 113 CA LYS A 4 1.816 16.842 -2.678 1.00 0.00 C ATOM 114 C LYS A 4 2.720 16.068 -1.718 1.00 0.00 C ATOM 115 O LYS A 4 3.539 15.268 -2.129 1.00 0.00 O ATOM 116 CB LYS A 4 2.022 18.346 -2.454 1.00 0.00 C ATOM 117 CG LYS A 4 0.696 19.025 -2.097 1.00 0.00 C ATOM 118 CD LYS A 4 -0.251 18.984 -3.300 1.00 0.00 C ATOM 119 CE LYS A 4 -1.688 18.775 -2.815 1.00 0.00 C ATOM 120 NZ LYS A 4 -2.637 19.346 -3.812 1.00 0.00 N ATOM 0 H LYS A 4 -0.219 17.249 -2.177 1.00 0.00 H new ATOM 0 HA LYS A 4 2.064 16.596 -3.711 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.745 18.504 -1.654 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.438 18.799 -3.354 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.238 18.522 -1.245 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.875 20.058 -1.799 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.179 19.914 -3.865 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.037 18.178 -3.975 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.885 17.712 -2.677 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.830 19.254 -1.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.613 19.204 -3.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.453 20.364 -3.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.508 18.869 -4.727 1.00 0.00 H new ATOM 134 N LYS A 5 2.579 16.297 -0.441 1.00 0.00 N ATOM 135 CA LYS A 5 3.426 15.575 0.544 1.00 0.00 C ATOM 136 C LYS A 5 3.159 14.073 0.446 1.00 0.00 C ATOM 137 O LYS A 5 4.057 13.261 0.559 1.00 0.00 O ATOM 138 CB LYS A 5 3.084 16.061 1.950 1.00 0.00 C ATOM 139 CG LYS A 5 3.436 17.544 2.080 1.00 0.00 C ATOM 140 CD LYS A 5 3.204 18.000 3.523 1.00 0.00 C ATOM 141 CE LYS A 5 3.435 19.508 3.625 1.00 0.00 C ATOM 142 NZ LYS A 5 2.934 19.999 4.941 1.00 0.00 N ATOM 0 H LYS A 5 1.911 16.955 -0.039 1.00 0.00 H new ATOM 0 HA LYS A 5 4.478 15.769 0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.023 15.910 2.150 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.634 15.480 2.690 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.476 17.708 1.799 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.825 18.135 1.398 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.188 17.755 3.834 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.880 17.472 4.196 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.497 19.732 3.521 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.920 20.021 2.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.091 21.025 5.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.917 19.798 5.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.445 19.517 5.708 1.00 0.00 H new ATOM 156 N GLY A 6 1.927 13.699 0.240 1.00 0.00 N ATOM 157 CA GLY A 6 1.591 12.251 0.139 1.00 0.00 C ATOM 158 C GLY A 6 2.350 11.620 -1.026 1.00 0.00 C ATOM 159 O GLY A 6 2.803 10.495 -0.947 1.00 0.00 O ATOM 0 H GLY A 6 1.136 14.335 0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 6 1.848 11.744 1.069 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.518 12.127 -0.006 1.00 0.00 H new ATOM 163 N ALA A 7 2.490 12.329 -2.109 1.00 0.00 N ATOM 164 CA ALA A 7 3.215 11.762 -3.279 1.00 0.00 C ATOM 165 C ALA A 7 4.668 11.489 -2.896 1.00 0.00 C ATOM 166 O ALA A 7 5.220 10.454 -3.210 1.00 0.00 O ATOM 167 CB ALA A 7 3.173 12.759 -4.438 1.00 0.00 C ATOM 0 H ALA A 7 2.134 13.277 -2.235 1.00 0.00 H new ATOM 0 HA ALA A 7 2.738 10.830 -3.583 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.704 12.344 -5.295 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.136 12.954 -4.713 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.649 13.691 -4.133 1.00 0.00 H new ATOM 173 N THR A 8 5.293 12.409 -2.218 1.00 0.00 N ATOM 174 CA THR A 8 6.708 12.204 -1.816 1.00 0.00 C ATOM 175 C THR A 8 6.778 11.193 -0.670 1.00 0.00 C ATOM 176 O THR A 8 7.746 10.473 -0.525 1.00 0.00 O ATOM 177 CB THR A 8 7.300 13.536 -1.360 1.00 0.00 C ATOM 178 OG1 THR A 8 6.658 13.954 -0.165 1.00 0.00 O ATOM 179 CG2 THR A 8 7.094 14.588 -2.450 1.00 0.00 C ATOM 0 H THR A 8 4.883 13.296 -1.925 1.00 0.00 H new ATOM 0 HA THR A 8 7.275 11.822 -2.665 1.00 0.00 H new ATOM 0 HB THR A 8 8.367 13.415 -1.174 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.730 13.639 -0.165 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.517 15.538 -2.123 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.590 14.266 -3.365 1.00 0.00 H new ATOM 0 HG23 THR A 8 6.028 14.712 -2.640 1.00 0.00 H new ATOM 187 N LEU A 9 5.762 11.132 0.148 1.00 0.00 N ATOM 188 CA LEU A 9 5.781 10.169 1.282 1.00 0.00 C ATOM 189 C LEU A 9 6.060 8.766 0.747 1.00 0.00 C ATOM 190 O LEU A 9 6.910 8.053 1.246 1.00 0.00 O ATOM 191 CB LEU A 9 4.419 10.189 1.977 1.00 0.00 C ATOM 192 CG LEU A 9 4.457 9.283 3.207 1.00 0.00 C ATOM 193 CD1 LEU A 9 5.405 9.876 4.251 1.00 0.00 C ATOM 194 CD2 LEU A 9 3.051 9.176 3.801 1.00 0.00 C ATOM 0 H LEU A 9 4.922 11.707 0.079 1.00 0.00 H new ATOM 0 HA LEU A 9 6.559 10.448 1.992 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.164 11.207 2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.643 9.852 1.289 1.00 0.00 H new ATOM 0 HG LEU A 9 4.809 8.293 2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.431 9.229 5.128 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.407 9.956 3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.053 10.866 4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.075 8.530 4.679 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.701 10.167 4.089 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.374 8.754 3.059 1.00 0.00 H new ATOM 206 N PHE A 10 5.359 8.371 -0.276 1.00 0.00 N ATOM 207 CA PHE A 10 5.588 7.022 -0.857 1.00 0.00 C ATOM 208 C PHE A 10 7.004 6.957 -1.425 1.00 0.00 C ATOM 209 O PHE A 10 7.713 5.985 -1.256 1.00 0.00 O ATOM 210 CB PHE A 10 4.575 6.769 -1.978 1.00 0.00 C ATOM 211 CG PHE A 10 4.745 5.367 -2.521 1.00 0.00 C ATOM 212 CD1 PHE A 10 5.718 5.105 -3.495 1.00 0.00 C ATOM 213 CD2 PHE A 10 3.923 4.331 -2.060 1.00 0.00 C ATOM 214 CE1 PHE A 10 5.870 3.807 -4.004 1.00 0.00 C ATOM 215 CE2 PHE A 10 4.073 3.035 -2.568 1.00 0.00 C ATOM 216 CZ PHE A 10 5.048 2.772 -3.541 1.00 0.00 C ATOM 0 H PHE A 10 4.636 8.925 -0.736 1.00 0.00 H new ATOM 0 HA PHE A 10 5.467 6.263 -0.084 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.561 6.901 -1.600 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.715 7.497 -2.777 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.351 5.903 -3.854 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.172 4.532 -1.311 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.621 3.606 -4.753 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.438 2.238 -2.211 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.165 1.772 -3.933 1.00 0.00 H new ATOM 226 N LYS A 11 7.412 7.988 -2.110 1.00 0.00 N ATOM 227 CA LYS A 11 8.770 8.001 -2.711 1.00 0.00 C ATOM 228 C LYS A 11 9.848 7.943 -1.625 1.00 0.00 C ATOM 229 O LYS A 11 10.909 7.384 -1.824 1.00 0.00 O ATOM 230 CB LYS A 11 8.947 9.287 -3.520 1.00 0.00 C ATOM 231 CG LYS A 11 7.943 9.312 -4.672 1.00 0.00 C ATOM 232 CD LYS A 11 8.212 10.529 -5.559 1.00 0.00 C ATOM 233 CE LYS A 11 7.133 10.623 -6.639 1.00 0.00 C ATOM 234 NZ LYS A 11 7.490 11.700 -7.606 1.00 0.00 N ATOM 0 H LYS A 11 6.857 8.827 -2.279 1.00 0.00 H new ATOM 0 HA LYS A 11 8.874 7.127 -3.355 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.800 10.155 -2.878 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.963 9.347 -3.909 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.024 8.397 -5.258 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.926 9.351 -4.281 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.218 11.437 -4.956 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.196 10.446 -6.020 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.039 9.669 -7.159 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.165 10.834 -6.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.757 11.764 -8.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.558 12.608 -7.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.405 11.480 -8.049 1.00 0.00 H new ATOM 248 N THR A 12 9.608 8.547 -0.496 1.00 0.00 N ATOM 249 CA THR A 12 10.639 8.559 0.576 1.00 0.00 C ATOM 250 C THR A 12 10.453 7.396 1.557 1.00 0.00 C ATOM 251 O THR A 12 11.169 7.300 2.534 1.00 0.00 O ATOM 252 CB THR A 12 10.534 9.879 1.339 1.00 0.00 C ATOM 253 OG1 THR A 12 9.274 9.947 1.991 1.00 0.00 O ATOM 254 CG2 THR A 12 10.670 11.048 0.362 1.00 0.00 C ATOM 0 H THR A 12 8.741 9.034 -0.269 1.00 0.00 H new ATOM 0 HA THR A 12 11.619 8.451 0.112 1.00 0.00 H new ATOM 0 HB THR A 12 11.331 9.935 2.081 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.579 10.171 1.337 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.595 11.989 0.907 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.637 10.994 -0.137 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.875 10.995 -0.381 1.00 0.00 H new ATOM 262 N ARG A 13 9.507 6.520 1.333 1.00 0.00 N ATOM 263 CA ARG A 13 9.317 5.394 2.300 1.00 0.00 C ATOM 264 C ARG A 13 9.066 4.066 1.575 1.00 0.00 C ATOM 265 O ARG A 13 9.855 3.147 1.662 1.00 0.00 O ATOM 266 CB ARG A 13 8.124 5.701 3.204 1.00 0.00 C ATOM 267 CG ARG A 13 8.443 6.917 4.077 1.00 0.00 C ATOM 268 CD ARG A 13 7.304 7.144 5.071 1.00 0.00 C ATOM 269 NE ARG A 13 7.536 8.419 5.809 1.00 0.00 N ATOM 270 CZ ARG A 13 6.834 8.693 6.875 1.00 0.00 C ATOM 271 NH1 ARG A 13 5.931 7.850 7.296 1.00 0.00 N ATOM 272 NH2 ARG A 13 7.037 9.809 7.520 1.00 0.00 N ATOM 0 H ARG A 13 8.868 6.532 0.538 1.00 0.00 H new ATOM 0 HA ARG A 13 10.229 5.296 2.888 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.238 5.896 2.600 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.899 4.839 3.832 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.380 6.759 4.611 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.577 7.801 3.453 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.350 7.184 4.545 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.247 6.311 5.772 1.00 0.00 H new ATOM 0 HE ARG A 13 8.243 9.077 5.481 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.774 6.977 6.792 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.382 8.064 8.129 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.744 10.467 7.191 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.489 10.024 8.353 1.00 0.00 H new ATOM 286 N CYS A 14 7.965 3.945 0.890 1.00 0.00 N ATOM 287 CA CYS A 14 7.656 2.659 0.198 1.00 0.00 C ATOM 288 C CYS A 14 8.668 2.389 -0.919 1.00 0.00 C ATOM 289 O CYS A 14 9.015 1.256 -1.187 1.00 0.00 O ATOM 290 CB CYS A 14 6.248 2.724 -0.389 1.00 0.00 C ATOM 291 SG CYS A 14 5.186 3.799 0.623 1.00 0.00 S ATOM 0 H CYS A 14 7.265 4.678 0.778 1.00 0.00 H new ATOM 0 HA CYS A 14 7.717 1.847 0.923 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.290 3.102 -1.410 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.821 1.722 -0.437 1.00 0.00 H new ATOM 296 N LEU A 15 9.141 3.406 -1.574 1.00 0.00 N ATOM 297 CA LEU A 15 10.125 3.188 -2.674 1.00 0.00 C ATOM 298 C LEU A 15 11.336 2.422 -2.136 1.00 0.00 C ATOM 299 O LEU A 15 11.951 1.645 -2.838 1.00 0.00 O ATOM 300 CB LEU A 15 10.575 4.540 -3.226 1.00 0.00 C ATOM 301 CG LEU A 15 11.455 4.338 -4.461 1.00 0.00 C ATOM 302 CD1 LEU A 15 10.572 4.177 -5.699 1.00 0.00 C ATOM 303 CD2 LEU A 15 12.361 5.557 -4.641 1.00 0.00 C ATOM 0 H LEU A 15 8.892 4.380 -1.399 1.00 0.00 H new ATOM 0 HA LEU A 15 9.659 2.608 -3.470 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.705 5.144 -3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.127 5.088 -2.462 1.00 0.00 H new ATOM 0 HG LEU A 15 12.064 3.443 -4.331 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.200 4.033 -6.578 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.922 3.311 -5.572 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.963 5.072 -5.831 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.990 5.416 -5.520 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.749 6.449 -4.772 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.991 5.675 -3.760 1.00 0.00 H new ATOM 315 N GLN A 16 11.690 2.640 -0.899 1.00 0.00 N ATOM 316 CA GLN A 16 12.867 1.928 -0.328 1.00 0.00 C ATOM 317 C GLN A 16 12.701 0.419 -0.520 1.00 0.00 C ATOM 318 O GLN A 16 13.657 -0.291 -0.765 1.00 0.00 O ATOM 319 CB GLN A 16 12.977 2.242 1.166 1.00 0.00 C ATOM 320 CG GLN A 16 13.268 3.732 1.354 1.00 0.00 C ATOM 321 CD GLN A 16 13.323 4.056 2.848 1.00 0.00 C ATOM 322 OE1 GLN A 16 12.870 3.281 3.667 1.00 0.00 O ATOM 323 NE2 GLN A 16 13.865 5.177 3.241 1.00 0.00 N ATOM 0 H GLN A 16 11.216 3.279 -0.261 1.00 0.00 H new ATOM 0 HA GLN A 16 13.771 2.259 -0.839 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.050 1.975 1.674 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.771 1.646 1.616 1.00 0.00 H new ATOM 0 HG2 GLN A 16 14.214 3.991 0.880 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.495 4.328 0.870 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.245 5.828 2.554 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.908 5.402 4.235 1.00 0.00 H new ATOM 332 N CYS A 17 11.499 -0.081 -0.414 1.00 0.00 N ATOM 333 CA CYS A 17 11.284 -1.547 -0.596 1.00 0.00 C ATOM 334 C CYS A 17 10.649 -1.807 -1.959 1.00 0.00 C ATOM 335 O CYS A 17 11.336 -2.011 -2.940 1.00 0.00 O ATOM 336 CB CYS A 17 10.355 -2.069 0.498 1.00 0.00 C ATOM 337 SG CYS A 17 11.264 -2.200 2.060 1.00 0.00 S ATOM 0 H CYS A 17 10.659 0.460 -0.210 1.00 0.00 H new ATOM 0 HA CYS A 17 12.244 -2.059 -0.536 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.504 -1.398 0.616 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.956 -3.043 0.215 1.00 0.00 H new ATOM 342 N HIS A 18 9.344 -1.801 -2.031 1.00 0.00 N ATOM 343 CA HIS A 18 8.676 -2.049 -3.333 1.00 0.00 C ATOM 344 C HIS A 18 8.096 -0.740 -3.861 1.00 0.00 C ATOM 345 O HIS A 18 7.664 0.111 -3.110 1.00 0.00 O ATOM 346 CB HIS A 18 7.565 -3.084 -3.156 1.00 0.00 C ATOM 347 CG HIS A 18 6.583 -2.635 -2.116 1.00 0.00 C ATOM 348 ND1 HIS A 18 5.628 -1.663 -2.375 1.00 0.00 N ATOM 349 CD2 HIS A 18 6.372 -3.039 -0.821 1.00 0.00 C ATOM 350 CE1 HIS A 18 4.888 -1.514 -1.257 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.305 -2.331 -0.290 1.00 0.00 N ATOM 0 H HIS A 18 8.717 -1.635 -1.244 1.00 0.00 H new ATOM 0 HA HIS A 18 9.403 -2.434 -4.049 1.00 0.00 H new ATOM 0 HB2 HIS A 18 7.052 -3.240 -4.105 1.00 0.00 H new ATOM 0 HB3 HIS A 18 7.997 -4.042 -2.866 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.507 -1.154 -3.251 1.00 0.00 H new ATOM 0 HD2 HIS A 18 6.946 -3.790 -0.299 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.064 -0.822 -1.158 1.00 0.00 H new ATOM 359 N THR A 19 8.106 -0.568 -5.152 1.00 0.00 N ATOM 360 CA THR A 19 7.578 0.694 -5.744 1.00 0.00 C ATOM 361 C THR A 19 6.209 0.451 -6.378 1.00 0.00 C ATOM 362 O THR A 19 5.824 -0.668 -6.652 1.00 0.00 O ATOM 363 CB THR A 19 8.543 1.183 -6.825 1.00 0.00 C ATOM 364 OG1 THR A 19 8.343 0.424 -8.010 1.00 0.00 O ATOM 365 CG2 THR A 19 9.984 1.009 -6.345 1.00 0.00 C ATOM 0 H THR A 19 8.458 -1.248 -5.826 1.00 0.00 H new ATOM 0 HA THR A 19 7.481 1.440 -4.956 1.00 0.00 H new ATOM 0 HB THR A 19 8.357 2.237 -7.029 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.170 -0.049 -8.239 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.669 1.358 -7.117 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.137 1.589 -5.435 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.175 -0.044 -6.140 1.00 0.00 H new ATOM 373 N VAL A 20 5.474 1.503 -6.621 1.00 0.00 N ATOM 374 CA VAL A 20 4.132 1.358 -7.249 1.00 0.00 C ATOM 375 C VAL A 20 4.211 1.800 -8.711 1.00 0.00 C ATOM 376 O VAL A 20 3.265 1.673 -9.461 1.00 0.00 O ATOM 377 CB VAL A 20 3.124 2.229 -6.500 1.00 0.00 C ATOM 378 CG1 VAL A 20 1.915 2.502 -7.396 1.00 0.00 C ATOM 379 CG2 VAL A 20 2.668 1.498 -5.238 1.00 0.00 C ATOM 0 H VAL A 20 5.749 2.462 -6.409 1.00 0.00 H new ATOM 0 HA VAL A 20 3.812 0.317 -7.201 1.00 0.00 H new ATOM 0 HB VAL A 20 3.591 3.175 -6.228 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.198 3.123 -6.860 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.240 3.020 -8.298 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.444 1.558 -7.669 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.949 2.115 -4.700 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.200 0.553 -5.514 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.529 1.304 -4.599 1.00 0.00 H new ATOM 389 N GLU A 21 5.335 2.318 -9.124 1.00 0.00 N ATOM 390 CA GLU A 21 5.469 2.760 -10.539 1.00 0.00 C ATOM 391 C GLU A 21 5.189 1.573 -11.459 1.00 0.00 C ATOM 392 O GLU A 21 5.511 0.445 -11.145 1.00 0.00 O ATOM 393 CB GLU A 21 6.889 3.274 -10.785 1.00 0.00 C ATOM 394 CG GLU A 21 7.145 4.498 -9.906 1.00 0.00 C ATOM 395 CD GLU A 21 8.544 5.048 -10.189 1.00 0.00 C ATOM 396 OE1 GLU A 21 9.289 4.383 -10.893 1.00 0.00 O ATOM 397 OE2 GLU A 21 8.849 6.122 -9.699 1.00 0.00 O ATOM 0 H GLU A 21 6.163 2.454 -8.544 1.00 0.00 H new ATOM 0 HA GLU A 21 4.758 3.561 -10.743 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.615 2.492 -10.560 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.017 3.534 -11.836 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.395 5.264 -10.104 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.055 4.228 -8.854 1.00 0.00 H new ATOM 404 N LYS A 22 4.588 1.812 -12.592 1.00 0.00 N ATOM 405 CA LYS A 22 4.290 0.686 -13.518 1.00 0.00 C ATOM 406 C LYS A 22 5.603 0.078 -14.013 1.00 0.00 C ATOM 407 O LYS A 22 6.450 0.761 -14.552 1.00 0.00 O ATOM 408 CB LYS A 22 3.486 1.204 -14.712 1.00 0.00 C ATOM 409 CG LYS A 22 3.001 0.021 -15.553 1.00 0.00 C ATOM 410 CD LYS A 22 2.248 0.540 -16.780 1.00 0.00 C ATOM 411 CE LYS A 22 1.625 -0.637 -17.534 1.00 0.00 C ATOM 412 NZ LYS A 22 1.001 -0.146 -18.794 1.00 0.00 N ATOM 0 H LYS A 22 4.292 2.733 -12.914 1.00 0.00 H new ATOM 0 HA LYS A 22 3.710 -0.073 -12.994 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.635 1.790 -14.364 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.103 1.867 -15.319 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.849 -0.589 -15.865 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.350 -0.619 -14.958 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.472 1.241 -16.473 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.929 1.085 -17.434 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.388 -1.382 -17.760 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.876 -1.126 -16.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.578 -0.946 -19.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.262 0.550 -18.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.727 0.301 -19.390 1.00 0.00 H new ATOM 426 N GLY A 23 5.779 -1.202 -13.831 1.00 0.00 N ATOM 427 CA GLY A 23 7.038 -1.853 -14.288 1.00 0.00 C ATOM 428 C GLY A 23 8.155 -1.570 -13.282 1.00 0.00 C ATOM 429 O GLY A 23 9.324 -1.709 -13.585 1.00 0.00 O ATOM 0 H GLY A 23 5.105 -1.825 -13.386 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.888 -2.928 -14.388 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.317 -1.477 -15.272 1.00 0.00 H new ATOM 433 N GLY A 24 7.810 -1.172 -12.087 1.00 0.00 N ATOM 434 CA GLY A 24 8.860 -0.880 -11.070 1.00 0.00 C ATOM 435 C GLY A 24 9.598 -2.178 -10.715 1.00 0.00 C ATOM 436 O GLY A 24 8.998 -3.233 -10.652 1.00 0.00 O ATOM 0 H GLY A 24 6.849 -1.037 -11.772 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.563 -0.143 -11.458 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.407 -0.450 -10.177 1.00 0.00 H new ATOM 440 N PRO A 25 10.887 -2.110 -10.482 1.00 0.00 N ATOM 441 CA PRO A 25 11.701 -3.310 -10.129 1.00 0.00 C ATOM 442 C PRO A 25 11.424 -3.799 -8.705 1.00 0.00 C ATOM 443 O PRO A 25 11.186 -3.017 -7.806 1.00 0.00 O ATOM 444 CB PRO A 25 13.144 -2.821 -10.246 1.00 0.00 C ATOM 445 CG PRO A 25 13.077 -1.351 -10.008 1.00 0.00 C ATOM 446 CD PRO A 25 11.715 -0.890 -10.526 1.00 0.00 C ATOM 0 HA PRO A 25 11.472 -4.156 -10.777 1.00 0.00 H new ATOM 0 HB2 PRO A 25 13.786 -3.310 -9.514 1.00 0.00 H new ATOM 0 HB3 PRO A 25 13.557 -3.043 -11.230 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.186 -1.124 -8.947 1.00 0.00 H new ATOM 0 HG3 PRO A 25 13.885 -0.836 -10.529 1.00 0.00 H new ATOM 0 HD2 PRO A 25 11.297 -0.100 -9.902 1.00 0.00 H new ATOM 0 HD3 PRO A 25 11.786 -0.492 -11.538 1.00 0.00 H new ATOM 454 N HIS A 26 11.468 -5.084 -8.488 1.00 0.00 N ATOM 455 CA HIS A 26 11.223 -5.611 -7.117 1.00 0.00 C ATOM 456 C HIS A 26 12.522 -5.502 -6.316 1.00 0.00 C ATOM 457 O HIS A 26 13.129 -6.494 -5.962 1.00 0.00 O ATOM 458 CB HIS A 26 10.803 -7.079 -7.197 1.00 0.00 C ATOM 459 CG HIS A 26 9.586 -7.210 -8.063 1.00 0.00 C ATOM 460 ND1 HIS A 26 8.425 -6.487 -7.833 1.00 0.00 N ATOM 461 CD2 HIS A 26 9.336 -7.986 -9.162 1.00 0.00 C ATOM 462 CE1 HIS A 26 7.536 -6.841 -8.780 1.00 0.00 C ATOM 463 NE2 HIS A 26 8.043 -7.750 -9.612 1.00 0.00 N ATOM 0 H HIS A 26 11.662 -5.790 -9.198 1.00 0.00 H new ATOM 0 HA HIS A 26 10.431 -5.038 -6.635 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.617 -7.679 -7.604 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.594 -7.462 -6.198 1.00 0.00 H new ATOM 0 HD1 HIS A 26 8.273 -5.811 -7.084 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.036 -8.676 -9.610 1.00 0.00 H new ATOM 0 HE1 HIS A 26 6.537 -6.438 -8.856 1.00 0.00 H new ATOM 472 N LYS A 27 12.961 -4.306 -6.040 1.00 0.00 N ATOM 473 CA LYS A 27 14.231 -4.135 -5.280 1.00 0.00 C ATOM 474 C LYS A 27 14.185 -4.954 -3.988 1.00 0.00 C ATOM 475 O LYS A 27 15.158 -5.571 -3.602 1.00 0.00 O ATOM 476 CB LYS A 27 14.419 -2.657 -4.936 1.00 0.00 C ATOM 477 CG LYS A 27 15.743 -2.469 -4.195 1.00 0.00 C ATOM 478 CD LYS A 27 15.915 -0.996 -3.819 1.00 0.00 C ATOM 479 CE LYS A 27 17.309 -0.780 -3.227 1.00 0.00 C ATOM 480 NZ LYS A 27 17.184 -0.284 -1.828 1.00 0.00 N ATOM 0 H LYS A 27 12.495 -3.439 -6.308 1.00 0.00 H new ATOM 0 HA LYS A 27 15.063 -4.482 -5.893 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.411 -2.057 -5.846 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.592 -2.309 -4.318 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.761 -3.088 -3.298 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.572 -2.794 -4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.781 -0.367 -4.699 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.152 -0.702 -3.098 1.00 0.00 H new ATOM 0 HE2 LYS A 27 17.871 -1.714 -3.244 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.865 -0.062 -3.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 18.132 -0.137 -1.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.663 0.616 -1.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.670 -0.984 -1.256 1.00 0.00 H new ATOM 494 N VAL A 28 13.068 -4.965 -3.315 1.00 0.00 N ATOM 495 CA VAL A 28 12.972 -5.744 -2.046 1.00 0.00 C ATOM 496 C VAL A 28 11.660 -6.529 -2.011 1.00 0.00 C ATOM 497 O VAL A 28 11.651 -7.729 -1.822 1.00 0.00 O ATOM 498 CB VAL A 28 13.019 -4.788 -0.859 1.00 0.00 C ATOM 499 CG1 VAL A 28 13.370 -5.568 0.410 1.00 0.00 C ATOM 500 CG2 VAL A 28 14.082 -3.716 -1.108 1.00 0.00 C ATOM 0 H VAL A 28 12.219 -4.470 -3.587 1.00 0.00 H new ATOM 0 HA VAL A 28 13.808 -6.441 -1.992 1.00 0.00 H new ATOM 0 HB VAL A 28 12.046 -4.313 -0.737 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.404 -4.885 1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.613 -6.332 0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.343 -6.043 0.288 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.115 -3.033 -0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.056 -4.191 -1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.833 -3.160 -2.012 1.00 0.00 H new ATOM 510 N GLY A 29 10.552 -5.857 -2.179 1.00 0.00 N ATOM 511 CA GLY A 29 9.235 -6.559 -2.142 1.00 0.00 C ATOM 512 C GLY A 29 8.530 -6.426 -3.489 1.00 0.00 C ATOM 513 O GLY A 29 8.914 -5.635 -4.328 1.00 0.00 O ATOM 0 H GLY A 29 10.502 -4.851 -2.340 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.382 -7.612 -1.903 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.612 -6.137 -1.354 1.00 0.00 H new ATOM 517 N PRO A 30 7.493 -7.194 -3.682 1.00 0.00 N ATOM 518 CA PRO A 30 6.696 -7.170 -4.939 1.00 0.00 C ATOM 519 C PRO A 30 6.168 -5.766 -5.235 1.00 0.00 C ATOM 520 O PRO A 30 5.744 -5.055 -4.348 1.00 0.00 O ATOM 521 CB PRO A 30 5.531 -8.137 -4.672 1.00 0.00 C ATOM 522 CG PRO A 30 5.543 -8.410 -3.201 1.00 0.00 C ATOM 523 CD PRO A 30 6.971 -8.168 -2.720 1.00 0.00 C ATOM 0 HA PRO A 30 7.292 -7.457 -5.805 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.582 -7.697 -4.978 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.653 -9.059 -5.240 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.844 -7.756 -2.681 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.234 -9.435 -2.995 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.992 -7.778 -1.702 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.557 -9.087 -2.721 1.00 0.00 H new ATOM 531 N ASN A 31 6.198 -5.358 -6.472 1.00 0.00 N ATOM 532 CA ASN A 31 5.707 -3.995 -6.815 1.00 0.00 C ATOM 533 C ASN A 31 4.256 -4.084 -7.287 1.00 0.00 C ATOM 534 O ASN A 31 3.936 -4.816 -8.203 1.00 0.00 O ATOM 535 CB ASN A 31 6.585 -3.414 -7.925 1.00 0.00 C ATOM 536 CG ASN A 31 8.051 -3.486 -7.499 1.00 0.00 C ATOM 537 OD1 ASN A 31 8.907 -3.837 -8.285 1.00 0.00 O ATOM 538 ND2 ASN A 31 8.380 -3.168 -6.276 1.00 0.00 N ATOM 0 H ASN A 31 6.541 -5.908 -7.259 1.00 0.00 H new ATOM 0 HA ASN A 31 5.757 -3.348 -5.939 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.436 -3.969 -8.851 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.303 -2.380 -8.124 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.356 -3.215 -5.982 1.00 0.00 H new ATOM 0 HD22 ASN A 31 7.661 -2.873 -5.615 1.00 0.00 H new ATOM 545 N LEU A 32 3.372 -3.350 -6.659 1.00 0.00 N ATOM 546 CA LEU A 32 1.936 -3.397 -7.060 1.00 0.00 C ATOM 547 C LEU A 32 1.489 -2.042 -7.601 1.00 0.00 C ATOM 548 O LEU A 32 1.960 -1.004 -7.183 1.00 0.00 O ATOM 549 CB LEU A 32 1.071 -3.744 -5.854 1.00 0.00 C ATOM 550 CG LEU A 32 1.797 -3.360 -4.564 1.00 0.00 C ATOM 551 CD1 LEU A 32 0.787 -3.283 -3.418 1.00 0.00 C ATOM 552 CD2 LEU A 32 2.857 -4.414 -4.235 1.00 0.00 C ATOM 0 H LEU A 32 3.585 -2.720 -5.885 1.00 0.00 H new ATOM 0 HA LEU A 32 1.824 -4.156 -7.834 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.118 -3.218 -5.916 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.847 -4.811 -5.851 1.00 0.00 H new ATOM 0 HG LEU A 32 2.279 -2.391 -4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.302 -3.009 -2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.032 -2.532 -3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.307 -4.253 -3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.372 -4.137 -3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.377 -5.384 -4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.577 -4.473 -5.051 1.00 0.00 H new ATOM 564 N HIS A 33 0.571 -2.050 -8.523 1.00 0.00 N ATOM 565 CA HIS A 33 0.071 -0.774 -9.096 1.00 0.00 C ATOM 566 C HIS A 33 -1.336 -0.980 -9.655 1.00 0.00 C ATOM 567 O HIS A 33 -1.545 -1.752 -10.569 1.00 0.00 O ATOM 568 CB HIS A 33 1.007 -0.340 -10.218 1.00 0.00 C ATOM 569 CG HIS A 33 0.493 0.926 -10.846 1.00 0.00 C ATOM 570 ND1 HIS A 33 0.440 2.129 -10.153 1.00 0.00 N ATOM 571 CD2 HIS A 33 0.006 1.195 -12.101 1.00 0.00 C ATOM 572 CE1 HIS A 33 -0.063 3.057 -10.988 1.00 0.00 C ATOM 573 NE2 HIS A 33 -0.343 2.539 -12.186 1.00 0.00 N ATOM 0 H HIS A 33 0.143 -2.892 -8.907 1.00 0.00 H new ATOM 0 HA HIS A 33 0.039 -0.007 -8.322 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.011 -0.181 -9.826 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.079 -1.127 -10.969 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.091 0.474 -12.899 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.220 4.092 -10.722 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.731 3.026 -12.994 1.00 0.00 H new ATOM 582 N GLY A 34 -2.304 -0.293 -9.116 1.00 0.00 N ATOM 583 CA GLY A 34 -3.695 -0.448 -9.622 1.00 0.00 C ATOM 584 C GLY A 34 -4.364 -1.632 -8.925 1.00 0.00 C ATOM 585 O GLY A 34 -5.461 -2.025 -9.268 1.00 0.00 O ATOM 0 H GLY A 34 -2.192 0.368 -8.348 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.263 0.464 -9.438 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.685 -0.606 -10.700 1.00 0.00 H new ATOM 589 N ILE A 35 -3.717 -2.205 -7.947 1.00 0.00 N ATOM 590 CA ILE A 35 -4.329 -3.361 -7.236 1.00 0.00 C ATOM 591 C ILE A 35 -5.512 -2.873 -6.409 1.00 0.00 C ATOM 592 O ILE A 35 -6.246 -3.653 -5.842 1.00 0.00 O ATOM 593 CB ILE A 35 -3.302 -4.018 -6.315 1.00 0.00 C ATOM 594 CG1 ILE A 35 -2.991 -3.085 -5.142 1.00 0.00 C ATOM 595 CG2 ILE A 35 -2.023 -4.300 -7.099 1.00 0.00 C ATOM 596 CD1 ILE A 35 -3.725 -3.573 -3.892 1.00 0.00 C ATOM 0 H ILE A 35 -2.796 -1.924 -7.611 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.666 -4.093 -7.970 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.706 -4.955 -5.931 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.917 -3.060 -4.959 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.298 -2.067 -5.382 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.290 -4.769 -6.443 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.246 -4.969 -7.930 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.619 -3.364 -7.485 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.503 -2.908 -3.057 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.799 -3.576 -4.078 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.397 -4.583 -3.648 1.00 0.00 H new ATOM 608 N PHE A 36 -5.707 -1.586 -6.339 1.00 0.00 N ATOM 609 CA PHE A 36 -6.849 -1.057 -5.549 1.00 0.00 C ATOM 610 C PHE A 36 -8.108 -1.854 -5.901 1.00 0.00 C ATOM 611 O PHE A 36 -9.061 -1.885 -5.152 1.00 0.00 O ATOM 612 CB PHE A 36 -7.062 0.420 -5.884 1.00 0.00 C ATOM 613 CG PHE A 36 -6.221 1.279 -4.966 1.00 0.00 C ATOM 614 CD1 PHE A 36 -4.821 1.197 -5.000 1.00 0.00 C ATOM 615 CD2 PHE A 36 -6.847 2.165 -4.078 1.00 0.00 C ATOM 616 CE1 PHE A 36 -4.053 1.999 -4.146 1.00 0.00 C ATOM 617 CE2 PHE A 36 -6.079 2.966 -3.226 1.00 0.00 C ATOM 618 CZ PHE A 36 -4.683 2.882 -3.259 1.00 0.00 C ATOM 0 H PHE A 36 -5.126 -0.881 -6.793 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.639 -1.154 -4.484 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.792 0.609 -6.923 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -8.115 0.679 -5.776 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.336 0.516 -5.684 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.925 2.229 -4.052 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.975 1.937 -4.171 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.563 3.649 -2.543 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.090 3.499 -2.600 1.00 0.00 H new ATOM 628 N GLY A 37 -8.110 -2.502 -7.038 1.00 0.00 N ATOM 629 CA GLY A 37 -9.300 -3.306 -7.447 1.00 0.00 C ATOM 630 C GLY A 37 -8.884 -4.767 -7.654 1.00 0.00 C ATOM 631 O GLY A 37 -9.442 -5.469 -8.473 1.00 0.00 O ATOM 0 H GLY A 37 -7.336 -2.509 -7.702 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.075 -3.242 -6.683 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.725 -2.904 -8.367 1.00 0.00 H new ATOM 635 N ARG A 38 -7.905 -5.226 -6.918 1.00 0.00 N ATOM 636 CA ARG A 38 -7.444 -6.640 -7.069 1.00 0.00 C ATOM 637 C ARG A 38 -7.434 -7.334 -5.708 1.00 0.00 C ATOM 638 O ARG A 38 -7.597 -6.713 -4.677 1.00 0.00 O ATOM 639 CB ARG A 38 -6.025 -6.665 -7.645 1.00 0.00 C ATOM 640 CG ARG A 38 -6.031 -6.160 -9.091 1.00 0.00 C ATOM 641 CD ARG A 38 -6.519 -7.271 -10.028 1.00 0.00 C ATOM 642 NE ARG A 38 -6.274 -6.867 -11.441 1.00 0.00 N ATOM 643 CZ ARG A 38 -7.038 -5.972 -12.005 1.00 0.00 C ATOM 644 NH1 ARG A 38 -8.014 -5.429 -11.331 1.00 0.00 N ATOM 645 NH2 ARG A 38 -6.824 -5.619 -13.243 1.00 0.00 N ATOM 0 H ARG A 38 -7.403 -4.681 -6.217 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.126 -7.159 -7.742 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.367 -6.043 -7.038 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.628 -7.679 -7.608 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.679 -5.288 -9.178 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.029 -5.843 -9.379 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.998 -8.203 -9.809 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.582 -7.455 -9.870 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.509 -7.290 -11.967 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.180 -5.704 -10.363 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.611 -4.729 -11.772 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.060 -6.043 -13.769 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.421 -4.919 -13.684 1.00 0.00 H new ATOM 659 N HIS A 39 -7.237 -8.625 -5.704 1.00 0.00 N ATOM 660 CA HIS A 39 -7.208 -9.371 -4.418 1.00 0.00 C ATOM 661 C HIS A 39 -5.789 -9.366 -3.856 1.00 0.00 C ATOM 662 O HIS A 39 -4.819 -9.267 -4.582 1.00 0.00 O ATOM 663 CB HIS A 39 -7.659 -10.812 -4.648 1.00 0.00 C ATOM 664 CG HIS A 39 -9.162 -10.864 -4.678 1.00 0.00 C ATOM 665 ND1 HIS A 39 -9.900 -10.171 -5.621 1.00 0.00 N ATOM 666 CD2 HIS A 39 -10.079 -11.524 -3.895 1.00 0.00 C ATOM 667 CE1 HIS A 39 -11.200 -10.427 -5.393 1.00 0.00 C ATOM 668 NE2 HIS A 39 -11.361 -11.245 -4.353 1.00 0.00 N ATOM 0 H HIS A 39 -7.095 -9.194 -6.539 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.882 -8.890 -3.709 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.252 -11.187 -5.587 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.277 -11.456 -3.855 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.840 -12.160 -3.055 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -12.012 -10.021 -5.979 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.241 -11.593 -3.973 1.00 0.00 H new ATOM 677 N SER A 40 -5.663 -9.462 -2.565 1.00 0.00 N ATOM 678 CA SER A 40 -4.313 -9.452 -1.943 1.00 0.00 C ATOM 679 C SER A 40 -3.478 -10.609 -2.477 1.00 0.00 C ATOM 680 O SER A 40 -3.918 -11.739 -2.521 1.00 0.00 O ATOM 681 CB SER A 40 -4.453 -9.604 -0.431 1.00 0.00 C ATOM 682 OG SER A 40 -3.625 -8.648 0.219 1.00 0.00 O ATOM 0 H SER A 40 -6.441 -9.547 -1.910 1.00 0.00 H new ATOM 0 HA SER A 40 -3.821 -8.510 -2.184 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.492 -9.462 -0.135 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.170 -10.612 -0.128 1.00 0.00 H new ATOM 0 HG SER A 40 -3.248 -8.035 -0.447 1.00 0.00 H new ATOM 688 N GLY A 41 -2.266 -10.340 -2.856 1.00 0.00 N ATOM 689 CA GLY A 41 -1.390 -11.428 -3.357 1.00 0.00 C ATOM 690 C GLY A 41 -1.362 -11.448 -4.885 1.00 0.00 C ATOM 691 O GLY A 41 -0.718 -12.289 -5.481 1.00 0.00 O ATOM 0 H GLY A 41 -1.843 -9.412 -2.841 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.379 -11.292 -2.973 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.746 -12.388 -2.984 1.00 0.00 H new ATOM 695 N GLN A 42 -2.048 -10.545 -5.533 1.00 0.00 N ATOM 696 CA GLN A 42 -2.033 -10.554 -7.023 1.00 0.00 C ATOM 697 C GLN A 42 -1.040 -9.518 -7.550 1.00 0.00 C ATOM 698 O GLN A 42 -1.164 -8.334 -7.306 1.00 0.00 O ATOM 699 CB GLN A 42 -3.433 -10.245 -7.552 1.00 0.00 C ATOM 700 CG GLN A 42 -4.372 -11.377 -7.144 1.00 0.00 C ATOM 701 CD GLN A 42 -5.785 -11.078 -7.648 1.00 0.00 C ATOM 702 OE1 GLN A 42 -6.091 -9.957 -8.005 1.00 0.00 O ATOM 703 NE2 GLN A 42 -6.667 -12.039 -7.692 1.00 0.00 N ATOM 0 H GLN A 42 -2.611 -9.811 -5.102 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.725 -11.541 -7.367 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.788 -9.296 -7.150 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.413 -10.143 -8.637 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.020 -12.322 -7.557 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.377 -11.486 -6.059 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.411 -12.980 -7.393 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.612 -11.849 -8.026 1.00 0.00 H new ATOM 712 N ALA A 43 -0.059 -9.966 -8.287 1.00 0.00 N ATOM 713 CA ALA A 43 0.951 -9.030 -8.856 1.00 0.00 C ATOM 714 C ALA A 43 1.406 -9.564 -10.215 1.00 0.00 C ATOM 715 O ALA A 43 1.306 -10.744 -10.492 1.00 0.00 O ATOM 716 CB ALA A 43 2.153 -8.928 -7.917 1.00 0.00 C ATOM 0 H ALA A 43 0.086 -10.948 -8.520 1.00 0.00 H new ATOM 0 HA ALA A 43 0.510 -8.040 -8.973 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.887 -8.242 -8.339 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.826 -8.556 -6.946 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.604 -9.913 -7.795 1.00 0.00 H new ATOM 722 N GLU A 44 1.898 -8.711 -11.070 1.00 0.00 N ATOM 723 CA GLU A 44 2.348 -9.181 -12.410 1.00 0.00 C ATOM 724 C GLU A 44 3.865 -9.382 -12.416 1.00 0.00 C ATOM 725 O GLU A 44 4.360 -10.423 -12.800 1.00 0.00 O ATOM 726 CB GLU A 44 1.970 -8.140 -13.466 1.00 0.00 C ATOM 727 CG GLU A 44 2.337 -8.665 -14.856 1.00 0.00 C ATOM 728 CD GLU A 44 2.055 -7.585 -15.901 1.00 0.00 C ATOM 729 OE1 GLU A 44 1.629 -6.509 -15.514 1.00 0.00 O ATOM 730 OE2 GLU A 44 2.270 -7.851 -17.072 1.00 0.00 O ATOM 0 H GLU A 44 2.008 -7.711 -10.900 1.00 0.00 H new ATOM 0 HA GLU A 44 1.862 -10.130 -12.636 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.902 -7.928 -13.416 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.491 -7.203 -13.271 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.390 -8.946 -14.884 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.761 -9.563 -15.081 1.00 0.00 H new ATOM 737 N GLY A 45 4.607 -8.390 -12.008 1.00 0.00 N ATOM 738 CA GLY A 45 6.092 -8.521 -12.009 1.00 0.00 C ATOM 739 C GLY A 45 6.523 -9.692 -11.119 1.00 0.00 C ATOM 740 O GLY A 45 7.277 -10.548 -11.535 1.00 0.00 O ATOM 0 H GLY A 45 4.250 -7.495 -11.674 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.449 -8.678 -13.027 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.546 -7.597 -11.651 1.00 0.00 H new ATOM 744 N TYR A 46 6.059 -9.737 -9.900 1.00 0.00 N ATOM 745 CA TYR A 46 6.459 -10.856 -8.996 1.00 0.00 C ATOM 746 C TYR A 46 5.265 -11.315 -8.162 1.00 0.00 C ATOM 747 O TYR A 46 4.469 -10.520 -7.704 1.00 0.00 O ATOM 748 CB TYR A 46 7.590 -10.387 -8.074 1.00 0.00 C ATOM 749 CG TYR A 46 7.713 -11.321 -6.890 1.00 0.00 C ATOM 750 CD1 TYR A 46 7.721 -12.711 -7.077 1.00 0.00 C ATOM 751 CD2 TYR A 46 7.812 -10.791 -5.597 1.00 0.00 C ATOM 752 CE1 TYR A 46 7.828 -13.564 -5.971 1.00 0.00 C ATOM 753 CE2 TYR A 46 7.917 -11.643 -4.493 1.00 0.00 C ATOM 754 CZ TYR A 46 7.926 -13.031 -4.680 1.00 0.00 C ATOM 755 OH TYR A 46 8.030 -13.873 -3.592 1.00 0.00 O ATOM 0 H TYR A 46 5.423 -9.052 -9.491 1.00 0.00 H new ATOM 0 HA TYR A 46 6.806 -11.695 -9.599 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.531 -10.358 -8.624 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.392 -9.372 -7.728 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.645 -13.123 -8.072 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.807 -9.721 -5.452 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.835 -14.634 -6.114 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.991 -11.231 -3.497 1.00 0.00 H new ATOM 0 HH TYR A 46 8.090 -13.341 -2.771 1.00 0.00 H new ATOM 765 N SER A 47 5.141 -12.597 -7.956 1.00 0.00 N ATOM 766 CA SER A 47 4.005 -13.112 -7.148 1.00 0.00 C ATOM 767 C SER A 47 4.321 -12.920 -5.665 1.00 0.00 C ATOM 768 O SER A 47 5.424 -13.157 -5.217 1.00 0.00 O ATOM 769 CB SER A 47 3.804 -14.599 -7.442 1.00 0.00 C ATOM 770 OG SER A 47 2.569 -15.026 -6.883 1.00 0.00 O ATOM 0 H SER A 47 5.778 -13.309 -8.313 1.00 0.00 H new ATOM 0 HA SER A 47 3.094 -12.569 -7.402 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.808 -14.772 -8.518 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.626 -15.179 -7.022 1.00 0.00 H new ATOM 0 HG SER A 47 2.437 -15.979 -7.071 1.00 0.00 H new ATOM 776 N TYR A 48 3.361 -12.483 -4.903 1.00 0.00 N ATOM 777 CA TYR A 48 3.599 -12.263 -3.448 1.00 0.00 C ATOM 778 C TYR A 48 4.077 -13.555 -2.778 1.00 0.00 C ATOM 779 O TYR A 48 4.282 -14.566 -3.418 1.00 0.00 O ATOM 780 CB TYR A 48 2.299 -11.816 -2.792 1.00 0.00 C ATOM 781 CG TYR A 48 1.976 -10.402 -3.208 1.00 0.00 C ATOM 782 CD1 TYR A 48 1.358 -10.154 -4.439 1.00 0.00 C ATOM 783 CD2 TYR A 48 2.279 -9.340 -2.351 1.00 0.00 C ATOM 784 CE1 TYR A 48 1.043 -8.842 -4.811 1.00 0.00 C ATOM 785 CE2 TYR A 48 1.968 -8.028 -2.724 1.00 0.00 C ATOM 786 CZ TYR A 48 1.349 -7.779 -3.954 1.00 0.00 C ATOM 787 OH TYR A 48 1.037 -6.488 -4.318 1.00 0.00 O ATOM 0 H TYR A 48 2.417 -12.267 -5.224 1.00 0.00 H new ATOM 0 HA TYR A 48 4.367 -11.499 -3.330 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.487 -12.484 -3.080 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.390 -11.874 -1.707 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.124 -10.974 -5.101 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.754 -9.533 -1.400 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.564 -8.650 -5.760 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.206 -7.208 -2.063 1.00 0.00 H new ATOM 0 HH TYR A 48 0.087 -6.321 -4.147 1.00 0.00 H new ATOM 797 N THR A 49 4.252 -13.517 -1.483 1.00 0.00 N ATOM 798 CA THR A 49 4.712 -14.726 -0.744 1.00 0.00 C ATOM 799 C THR A 49 3.559 -15.727 -0.636 1.00 0.00 C ATOM 800 O THR A 49 2.405 -15.354 -0.577 1.00 0.00 O ATOM 801 CB THR A 49 5.168 -14.320 0.660 1.00 0.00 C ATOM 802 OG1 THR A 49 6.162 -13.311 0.560 1.00 0.00 O ATOM 803 CG2 THR A 49 5.745 -15.537 1.384 1.00 0.00 C ATOM 0 H THR A 49 4.094 -12.693 -0.903 1.00 0.00 H new ATOM 0 HA THR A 49 5.543 -15.186 -1.279 1.00 0.00 H new ATOM 0 HB THR A 49 4.316 -13.937 1.222 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.339 -12.937 1.448 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.069 -15.246 2.383 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.981 -16.311 1.461 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.597 -15.923 0.824 1.00 0.00 H new ATOM 811 N ASP A 50 3.861 -16.995 -0.617 1.00 0.00 N ATOM 812 CA ASP A 50 2.787 -18.019 -0.526 1.00 0.00 C ATOM 813 C ASP A 50 1.835 -17.685 0.627 1.00 0.00 C ATOM 814 O ASP A 50 0.642 -17.886 0.531 1.00 0.00 O ATOM 815 CB ASP A 50 3.421 -19.389 -0.283 1.00 0.00 C ATOM 816 CG ASP A 50 4.190 -19.824 -1.532 1.00 0.00 C ATOM 817 OD1 ASP A 50 4.027 -19.184 -2.558 1.00 0.00 O ATOM 818 OD2 ASP A 50 4.931 -20.789 -1.440 1.00 0.00 O ATOM 0 H ASP A 50 4.810 -17.366 -0.661 1.00 0.00 H new ATOM 0 HA ASP A 50 2.222 -18.031 -1.458 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.093 -19.344 0.574 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.650 -20.121 -0.044 1.00 0.00 H new ATOM 823 N ALA A 51 2.345 -17.179 1.717 1.00 0.00 N ATOM 824 CA ALA A 51 1.447 -16.843 2.861 1.00 0.00 C ATOM 825 C ALA A 51 0.439 -15.783 2.417 1.00 0.00 C ATOM 826 O ALA A 51 -0.758 -15.982 2.485 1.00 0.00 O ATOM 827 CB ALA A 51 2.280 -16.298 4.023 1.00 0.00 C ATOM 0 H ALA A 51 3.335 -16.985 1.865 1.00 0.00 H new ATOM 0 HA ALA A 51 0.918 -17.739 3.184 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.623 -16.053 4.858 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.002 -17.052 4.338 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.809 -15.401 3.702 1.00 0.00 H new ATOM 833 N ASN A 52 0.915 -14.665 1.951 1.00 0.00 N ATOM 834 CA ASN A 52 -0.007 -13.593 1.485 1.00 0.00 C ATOM 835 C ASN A 52 -0.898 -14.135 0.369 1.00 0.00 C ATOM 836 O ASN A 52 -2.085 -13.882 0.326 1.00 0.00 O ATOM 837 CB ASN A 52 0.819 -12.418 0.957 1.00 0.00 C ATOM 838 CG ASN A 52 -0.113 -11.325 0.436 1.00 0.00 C ATOM 839 OD1 ASN A 52 -1.318 -11.447 0.523 1.00 0.00 O ATOM 840 ND2 ASN A 52 0.397 -10.253 -0.108 1.00 0.00 N ATOM 0 H ASN A 52 1.908 -14.445 1.872 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.632 -13.260 2.313 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.453 -12.021 1.750 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.481 -12.756 0.159 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.217 -9.518 -0.460 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.409 -10.150 -0.181 1.00 0.00 H new ATOM 847 N ILE A 53 -0.330 -14.884 -0.533 1.00 0.00 N ATOM 848 CA ILE A 53 -1.136 -15.449 -1.649 1.00 0.00 C ATOM 849 C ILE A 53 -2.166 -16.433 -1.094 1.00 0.00 C ATOM 850 O ILE A 53 -3.253 -16.563 -1.616 1.00 0.00 O ATOM 851 CB ILE A 53 -0.214 -16.162 -2.630 1.00 0.00 C ATOM 852 CG1 ILE A 53 0.765 -15.146 -3.220 1.00 0.00 C ATOM 853 CG2 ILE A 53 -1.045 -16.789 -3.751 1.00 0.00 C ATOM 854 CD1 ILE A 53 1.796 -15.871 -4.086 1.00 0.00 C ATOM 0 H ILE A 53 0.660 -15.130 -0.545 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.657 -14.643 -2.166 1.00 0.00 H new ATOM 0 HB ILE A 53 0.338 -16.947 -2.114 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.226 -14.411 -3.817 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.266 -14.601 -2.420 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.384 -17.299 -4.452 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.746 -17.507 -3.326 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.597 -16.009 -4.275 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.493 -15.146 -4.506 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.343 -16.589 -3.476 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.287 -16.396 -4.895 1.00 0.00 H new ATOM 866 N LYS A 54 -1.838 -17.124 -0.037 1.00 0.00 N ATOM 867 CA LYS A 54 -2.816 -18.086 0.540 1.00 0.00 C ATOM 868 C LYS A 54 -4.105 -17.338 0.875 1.00 0.00 C ATOM 869 O LYS A 54 -5.196 -17.807 0.618 1.00 0.00 O ATOM 870 CB LYS A 54 -2.237 -18.703 1.811 1.00 0.00 C ATOM 871 CG LYS A 54 -3.225 -19.722 2.377 1.00 0.00 C ATOM 872 CD LYS A 54 -2.670 -20.307 3.676 1.00 0.00 C ATOM 873 CE LYS A 54 -3.582 -21.437 4.158 1.00 0.00 C ATOM 874 NZ LYS A 54 -3.623 -21.442 5.648 1.00 0.00 N ATOM 0 H LYS A 54 -0.943 -17.065 0.448 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.024 -18.878 -0.179 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.285 -19.186 1.593 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.038 -17.925 2.548 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.188 -19.246 2.563 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.398 -20.518 1.652 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.660 -20.684 3.515 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.603 -19.530 4.437 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.587 -21.304 3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.216 -22.396 3.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.243 -22.210 5.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.663 -21.588 6.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.991 -20.531 5.988 1.00 0.00 H new ATOM 888 N LYS A 55 -3.982 -16.167 1.435 1.00 0.00 N ATOM 889 CA LYS A 55 -5.188 -15.367 1.780 1.00 0.00 C ATOM 890 C LYS A 55 -5.287 -14.186 0.813 1.00 0.00 C ATOM 891 O LYS A 55 -4.365 -13.403 0.686 1.00 0.00 O ATOM 892 CB LYS A 55 -5.059 -14.842 3.210 1.00 0.00 C ATOM 893 CG LYS A 55 -6.391 -14.238 3.658 1.00 0.00 C ATOM 894 CD LYS A 55 -6.241 -13.654 5.064 1.00 0.00 C ATOM 895 CE LYS A 55 -7.609 -13.195 5.575 1.00 0.00 C ATOM 896 NZ LYS A 55 -8.393 -14.379 6.027 1.00 0.00 N ATOM 0 H LYS A 55 -3.092 -15.728 1.670 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.080 -15.988 1.703 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.772 -15.652 3.881 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.272 -14.090 3.262 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.702 -13.460 2.961 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.169 -15.001 3.651 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.822 -14.402 5.737 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.546 -12.814 5.048 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.484 -12.492 6.399 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.146 -12.669 4.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.238 -14.060 6.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.683 -14.940 5.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.806 -14.965 6.654 1.00 0.00 H new ATOM 910 N ASN A 56 -6.390 -14.051 0.126 1.00 0.00 N ATOM 911 CA ASN A 56 -6.535 -12.918 -0.835 1.00 0.00 C ATOM 912 C ASN A 56 -7.854 -12.189 -0.578 1.00 0.00 C ATOM 913 O ASN A 56 -8.903 -12.798 -0.489 1.00 0.00 O ATOM 914 CB ASN A 56 -6.539 -13.460 -2.263 1.00 0.00 C ATOM 915 CG ASN A 56 -6.110 -14.927 -2.259 1.00 0.00 C ATOM 916 OD1 ASN A 56 -4.944 -15.230 -2.411 1.00 0.00 O ATOM 917 ND2 ASN A 56 -7.010 -15.857 -2.091 1.00 0.00 N ATOM 0 H ASN A 56 -7.195 -14.674 0.188 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.702 -12.227 -0.702 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.535 -13.364 -2.696 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.862 -12.875 -2.886 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.734 -16.839 -2.087 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.989 -15.602 -1.963 1.00 0.00 H new ATOM 924 N VAL A 57 -7.810 -10.890 -0.465 1.00 0.00 N ATOM 925 CA VAL A 57 -9.057 -10.115 -0.223 1.00 0.00 C ATOM 926 C VAL A 57 -9.169 -8.995 -1.255 1.00 0.00 C ATOM 927 O VAL A 57 -8.213 -8.303 -1.538 1.00 0.00 O ATOM 928 CB VAL A 57 -9.016 -9.510 1.178 1.00 0.00 C ATOM 929 CG1 VAL A 57 -10.350 -8.823 1.481 1.00 0.00 C ATOM 930 CG2 VAL A 57 -8.764 -10.616 2.206 1.00 0.00 C ATOM 0 H VAL A 57 -6.960 -10.331 -0.530 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.918 -10.778 -0.309 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.212 -8.776 1.231 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.318 -8.392 2.482 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.526 -8.033 0.751 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.156 -9.554 1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.735 -10.183 3.206 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.566 -11.352 2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.811 -11.101 1.993 1.00 0.00 H new ATOM 940 N LEU A 58 -10.334 -8.801 -1.813 1.00 0.00 N ATOM 941 CA LEU A 58 -10.497 -7.716 -2.817 1.00 0.00 C ATOM 942 C LEU A 58 -10.010 -6.409 -2.209 1.00 0.00 C ATOM 943 O LEU A 58 -10.164 -6.167 -1.028 1.00 0.00 O ATOM 944 CB LEU A 58 -11.967 -7.580 -3.203 1.00 0.00 C ATOM 945 CG LEU A 58 -12.124 -6.454 -4.228 1.00 0.00 C ATOM 946 CD1 LEU A 58 -11.381 -6.822 -5.514 1.00 0.00 C ATOM 947 CD2 LEU A 58 -13.609 -6.263 -4.540 1.00 0.00 C ATOM 0 H LEU A 58 -11.174 -9.345 -1.617 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.918 -7.953 -3.709 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.333 -8.519 -3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.568 -7.368 -2.319 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.709 -5.532 -3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.494 -6.019 -6.242 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.323 -6.966 -5.294 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.796 -7.743 -5.923 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.727 -5.462 -5.270 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.017 -7.188 -4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.142 -6.003 -3.626 1.00 0.00 H new ATOM 959 N TRP A 59 -9.412 -5.568 -3.003 1.00 0.00 N ATOM 960 CA TRP A 59 -8.904 -4.284 -2.468 1.00 0.00 C ATOM 961 C TRP A 59 -9.843 -3.135 -2.829 1.00 0.00 C ATOM 962 O TRP A 59 -10.482 -3.133 -3.862 1.00 0.00 O ATOM 963 CB TRP A 59 -7.515 -4.017 -3.042 1.00 0.00 C ATOM 964 CG TRP A 59 -6.503 -4.767 -2.243 1.00 0.00 C ATOM 965 CD1 TRP A 59 -5.658 -5.701 -2.735 1.00 0.00 C ATOM 966 CD2 TRP A 59 -6.228 -4.674 -0.816 1.00 0.00 C ATOM 967 NE1 TRP A 59 -4.868 -6.172 -1.705 1.00 0.00 N ATOM 968 CE2 TRP A 59 -5.185 -5.574 -0.502 1.00 0.00 C ATOM 969 CE3 TRP A 59 -6.773 -3.901 0.225 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -4.699 -5.704 0.797 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -6.288 -4.031 1.534 1.00 0.00 C ATOM 972 CH2 TRP A 59 -5.253 -4.932 1.820 1.00 0.00 C ATOM 0 H TRP A 59 -9.255 -5.717 -4.000 1.00 0.00 H new ATOM 0 HA TRP A 59 -8.850 -4.351 -1.381 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.474 -4.327 -4.086 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -7.297 -2.949 -3.017 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.609 -6.025 -3.764 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.139 -6.876 -1.819 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.570 -3.203 0.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -3.899 -6.397 1.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -6.714 -3.434 2.326 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.884 -5.029 2.831 1.00 0.00 H new ATOM 983 N ASP A 60 -9.917 -2.156 -1.972 1.00 0.00 N ATOM 984 CA ASP A 60 -10.794 -0.983 -2.228 1.00 0.00 C ATOM 985 C ASP A 60 -10.183 0.230 -1.527 1.00 0.00 C ATOM 986 O ASP A 60 -9.388 0.089 -0.618 1.00 0.00 O ATOM 987 CB ASP A 60 -12.192 -1.253 -1.669 1.00 0.00 C ATOM 988 CG ASP A 60 -13.143 -0.138 -2.107 1.00 0.00 C ATOM 989 OD1 ASP A 60 -13.658 -0.225 -3.210 1.00 0.00 O ATOM 990 OD2 ASP A 60 -13.338 0.785 -1.334 1.00 0.00 O ATOM 0 H ASP A 60 -9.400 -2.120 -1.094 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.875 -0.798 -3.299 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.557 -2.217 -2.024 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.156 -1.307 -0.581 1.00 0.00 H new ATOM 995 N GLU A 61 -10.535 1.416 -1.930 1.00 0.00 N ATOM 996 CA GLU A 61 -9.948 2.612 -1.266 1.00 0.00 C ATOM 997 C GLU A 61 -10.206 2.526 0.238 1.00 0.00 C ATOM 998 O GLU A 61 -9.369 2.885 1.043 1.00 0.00 O ATOM 999 CB GLU A 61 -10.602 3.878 -1.825 1.00 0.00 C ATOM 1000 CG GLU A 61 -10.277 4.008 -3.314 1.00 0.00 C ATOM 1001 CD GLU A 61 -10.882 5.303 -3.856 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -11.643 5.926 -3.134 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -10.575 5.651 -4.985 1.00 0.00 O ATOM 0 H GLU A 61 -11.196 1.610 -2.682 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.875 2.647 -1.453 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.682 3.836 -1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.242 4.754 -1.286 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.197 4.008 -3.463 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.674 3.152 -3.860 1.00 0.00 H new ATOM 1010 N ASN A 62 -11.355 2.048 0.622 1.00 0.00 N ATOM 1011 CA ASN A 62 -11.665 1.931 2.075 1.00 0.00 C ATOM 1012 C ASN A 62 -10.893 0.753 2.681 1.00 0.00 C ATOM 1013 O ASN A 62 -10.312 0.862 3.743 1.00 0.00 O ATOM 1014 CB ASN A 62 -13.167 1.703 2.257 1.00 0.00 C ATOM 1015 CG ASN A 62 -13.547 1.944 3.719 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -12.786 2.523 4.469 1.00 0.00 O ATOM 1017 ND2 ASN A 62 -14.701 1.524 4.159 1.00 0.00 N ATOM 0 H ASN A 62 -12.094 1.733 -0.007 1.00 0.00 H new ATOM 0 HA ASN A 62 -11.369 2.850 2.580 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.729 2.376 1.609 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -13.429 0.686 1.965 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.964 1.682 5.132 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -15.340 1.038 3.530 1.00 0.00 H new ATOM 1024 N ASN A 63 -10.892 -0.376 2.021 1.00 0.00 N ATOM 1025 CA ASN A 63 -10.172 -1.560 2.566 1.00 0.00 C ATOM 1026 C ASN A 63 -8.671 -1.275 2.650 1.00 0.00 C ATOM 1027 O ASN A 63 -8.015 -1.627 3.612 1.00 0.00 O ATOM 1028 CB ASN A 63 -10.410 -2.759 1.648 1.00 0.00 C ATOM 1029 CG ASN A 63 -11.890 -3.143 1.680 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -12.627 -2.699 2.539 1.00 0.00 O ATOM 1031 ND2 ASN A 63 -12.359 -3.958 0.775 1.00 0.00 N ATOM 0 H ASN A 63 -11.360 -0.527 1.127 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.547 -1.776 3.566 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -10.109 -2.515 0.629 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.798 -3.602 1.968 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -13.344 -4.223 0.788 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -11.741 -4.330 0.054 1.00 0.00 H new ATOM 1038 N MET A 64 -8.119 -0.645 1.653 1.00 0.00 N ATOM 1039 CA MET A 64 -6.663 -0.347 1.682 1.00 0.00 C ATOM 1040 C MET A 64 -6.344 0.568 2.863 1.00 0.00 C ATOM 1041 O MET A 64 -5.291 0.477 3.461 1.00 0.00 O ATOM 1042 CB MET A 64 -6.248 0.329 0.375 1.00 0.00 C ATOM 1043 CG MET A 64 -6.306 -0.685 -0.769 1.00 0.00 C ATOM 1044 SD MET A 64 -5.345 -0.066 -2.172 1.00 0.00 S ATOM 1045 CE MET A 64 -3.699 -0.401 -1.489 1.00 0.00 C ATOM 0 H MET A 64 -8.613 -0.324 0.820 1.00 0.00 H new ATOM 0 HA MET A 64 -6.109 -1.279 1.794 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.909 1.170 0.163 1.00 0.00 H new ATOM 0 HB3 MET A 64 -5.239 0.732 0.467 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.910 -1.645 -0.439 1.00 0.00 H new ATOM 0 HG3 MET A 64 -7.341 -0.853 -1.069 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.020 -0.678 -2.295 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.324 0.492 -0.989 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.762 -1.219 -0.771 1.00 0.00 H new ATOM 1055 N SER A 65 -7.240 1.450 3.208 1.00 0.00 N ATOM 1056 CA SER A 65 -6.969 2.361 4.353 1.00 0.00 C ATOM 1057 C SER A 65 -6.649 1.524 5.592 1.00 0.00 C ATOM 1058 O SER A 65 -5.776 1.857 6.369 1.00 0.00 O ATOM 1059 CB SER A 65 -8.202 3.224 4.622 1.00 0.00 C ATOM 1060 OG SER A 65 -8.570 3.902 3.429 1.00 0.00 O ATOM 0 H SER A 65 -8.142 1.579 2.750 1.00 0.00 H new ATOM 0 HA SER A 65 -6.123 3.007 4.118 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.027 2.602 4.969 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.991 3.944 5.413 1.00 0.00 H new ATOM 0 HG SER A 65 -8.959 3.263 2.796 1.00 0.00 H new ATOM 1066 N GLU A 66 -7.344 0.435 5.782 1.00 0.00 N ATOM 1067 CA GLU A 66 -7.072 -0.421 6.967 1.00 0.00 C ATOM 1068 C GLU A 66 -5.667 -1.017 6.856 1.00 0.00 C ATOM 1069 O GLU A 66 -4.959 -1.146 7.834 1.00 0.00 O ATOM 1070 CB GLU A 66 -8.093 -1.558 7.015 1.00 0.00 C ATOM 1071 CG GLU A 66 -9.493 -0.979 7.211 1.00 0.00 C ATOM 1072 CD GLU A 66 -9.570 -0.268 8.564 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -8.714 -0.523 9.395 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -10.483 0.521 8.746 1.00 0.00 O ATOM 0 H GLU A 66 -8.087 0.103 5.167 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.145 0.181 7.873 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.053 -2.136 6.092 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.854 -2.242 7.829 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.724 -0.279 6.408 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.236 -1.775 7.164 1.00 0.00 H new ATOM 1081 N TYR A 67 -5.262 -1.388 5.671 1.00 0.00 N ATOM 1082 CA TYR A 67 -3.907 -1.983 5.507 1.00 0.00 C ATOM 1083 C TYR A 67 -2.844 -0.960 5.905 1.00 0.00 C ATOM 1084 O TYR A 67 -1.911 -1.269 6.618 1.00 0.00 O ATOM 1085 CB TYR A 67 -3.694 -2.388 4.050 1.00 0.00 C ATOM 1086 CG TYR A 67 -2.401 -3.160 3.931 1.00 0.00 C ATOM 1087 CD1 TYR A 67 -2.382 -4.539 4.176 1.00 0.00 C ATOM 1088 CD2 TYR A 67 -1.220 -2.496 3.579 1.00 0.00 C ATOM 1089 CE1 TYR A 67 -1.182 -5.252 4.069 1.00 0.00 C ATOM 1090 CE2 TYR A 67 -0.021 -3.210 3.473 1.00 0.00 C ATOM 1091 CZ TYR A 67 -0.001 -4.588 3.718 1.00 0.00 C ATOM 1092 OH TYR A 67 1.181 -5.290 3.613 1.00 0.00 O ATOM 0 H TYR A 67 -5.809 -1.305 4.814 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.825 -2.863 6.145 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.528 -2.998 3.704 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.662 -1.502 3.415 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.293 -5.052 4.447 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.234 -1.433 3.389 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.168 -6.315 4.257 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.890 -2.697 3.202 1.00 0.00 H new ATOM 0 HH TYR A 67 1.089 -5.986 2.929 1.00 0.00 H new ATOM 1102 N LEU A 68 -2.972 0.257 5.451 1.00 0.00 N ATOM 1103 CA LEU A 68 -1.961 1.285 5.811 1.00 0.00 C ATOM 1104 C LEU A 68 -1.859 1.379 7.332 1.00 0.00 C ATOM 1105 O LEU A 68 -0.780 1.446 7.887 1.00 0.00 O ATOM 1106 CB LEU A 68 -2.386 2.634 5.233 1.00 0.00 C ATOM 1107 CG LEU A 68 -2.532 2.521 3.715 1.00 0.00 C ATOM 1108 CD1 LEU A 68 -2.869 3.894 3.134 1.00 0.00 C ATOM 1109 CD2 LEU A 68 -1.219 2.024 3.105 1.00 0.00 C ATOM 0 H LEU A 68 -3.730 0.581 4.850 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.989 1.010 5.402 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.330 2.949 5.676 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.647 3.396 5.481 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.330 1.816 3.482 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.973 3.815 2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.805 4.251 3.564 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.069 4.596 3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.327 1.945 2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.420 2.727 3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.974 1.045 3.518 1.00 0.00 H new ATOM 1121 N THR A 69 -2.969 1.358 8.016 1.00 0.00 N ATOM 1122 CA THR A 69 -2.922 1.418 9.497 1.00 0.00 C ATOM 1123 C THR A 69 -2.143 0.204 9.992 1.00 0.00 C ATOM 1124 O THR A 69 -1.345 0.284 10.904 1.00 0.00 O ATOM 1125 CB THR A 69 -4.348 1.381 10.048 1.00 0.00 C ATOM 1126 OG1 THR A 69 -5.122 2.396 9.427 1.00 0.00 O ATOM 1127 CG2 THR A 69 -4.313 1.614 11.552 1.00 0.00 C ATOM 0 H THR A 69 -3.904 1.302 7.611 1.00 0.00 H new ATOM 0 HA THR A 69 -2.439 2.336 9.832 1.00 0.00 H new ATOM 0 HB THR A 69 -4.795 0.409 9.841 1.00 0.00 H new ATOM 0 HG1 THR A 69 -6.036 2.371 9.779 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.328 1.588 11.948 1.00 0.00 H new ATOM 0 HG22 THR A 69 -3.718 0.834 12.027 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.867 2.587 11.759 1.00 0.00 H new ATOM 1135 N ASN A 70 -2.366 -0.919 9.367 1.00 0.00 N ATOM 1136 CA ASN A 70 -1.642 -2.158 9.753 1.00 0.00 C ATOM 1137 C ASN A 70 -0.983 -2.733 8.496 1.00 0.00 C ATOM 1138 O ASN A 70 -1.574 -3.500 7.763 1.00 0.00 O ATOM 1139 CB ASN A 70 -2.634 -3.164 10.343 1.00 0.00 C ATOM 1140 CG ASN A 70 -2.066 -3.733 11.644 1.00 0.00 C ATOM 1141 OD1 ASN A 70 -2.800 -4.003 12.575 1.00 0.00 O ATOM 1142 ND2 ASN A 70 -0.780 -3.933 11.748 1.00 0.00 N ATOM 0 H ASN A 70 -3.026 -1.030 8.598 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.881 -1.943 10.504 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.592 -2.679 10.533 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.820 -3.969 9.632 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -0.391 -4.316 12.610 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -0.164 -3.707 10.967 1.00 0.00 H new ATOM 1149 N HIS A 71 0.232 -2.339 8.232 1.00 0.00 N ATOM 1150 CA HIS A 71 0.939 -2.825 7.011 1.00 0.00 C ATOM 1151 C HIS A 71 1.538 -4.209 7.266 1.00 0.00 C ATOM 1152 O HIS A 71 2.151 -4.454 8.285 1.00 0.00 O ATOM 1153 CB HIS A 71 2.049 -1.824 6.669 1.00 0.00 C ATOM 1154 CG HIS A 71 2.942 -2.370 5.587 1.00 0.00 C ATOM 1155 ND1 HIS A 71 3.849 -3.396 5.821 1.00 0.00 N ATOM 1156 CD2 HIS A 71 3.110 -2.013 4.270 1.00 0.00 C ATOM 1157 CE1 HIS A 71 4.517 -3.619 4.673 1.00 0.00 C ATOM 1158 NE2 HIS A 71 4.103 -2.802 3.705 1.00 0.00 N ATOM 0 H HIS A 71 0.770 -1.697 8.813 1.00 0.00 H new ATOM 0 HA HIS A 71 0.239 -2.905 6.180 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.608 -0.882 6.343 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.639 -1.609 7.560 1.00 0.00 H new ATOM 0 HD1 HIS A 71 3.984 -3.891 6.703 1.00 0.00 H new ATOM 0 HD2 HIS A 71 2.557 -1.241 3.756 1.00 0.00 H new ATOM 0 HE1 HIS A 71 5.289 -4.364 4.552 1.00 0.00 H new ATOM 1166 N ALA A 72 1.361 -5.117 6.337 1.00 0.00 N ATOM 1167 CA ALA A 72 1.918 -6.489 6.505 1.00 0.00 C ATOM 1168 C ALA A 72 1.383 -7.117 7.793 1.00 0.00 C ATOM 1169 O ALA A 72 2.062 -7.874 8.459 1.00 0.00 O ATOM 1170 CB ALA A 72 3.439 -6.415 6.555 1.00 0.00 C ATOM 0 H ALA A 72 0.852 -4.963 5.467 1.00 0.00 H new ATOM 0 HA ALA A 72 1.614 -7.108 5.661 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.848 -7.418 6.678 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.813 -5.982 5.627 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.746 -5.793 7.396 1.00 0.00 H new ATOM 1176 N LYS A 73 0.169 -6.812 8.137 1.00 0.00 N ATOM 1177 CA LYS A 73 -0.435 -7.391 9.370 1.00 0.00 C ATOM 1178 C LYS A 73 -1.827 -7.924 9.027 1.00 0.00 C ATOM 1179 O LYS A 73 -2.258 -8.943 9.527 1.00 0.00 O ATOM 1180 CB LYS A 73 -0.545 -6.306 10.441 1.00 0.00 C ATOM 1181 CG LYS A 73 -1.049 -6.909 11.758 1.00 0.00 C ATOM 1182 CD LYS A 73 0.110 -7.587 12.496 1.00 0.00 C ATOM 1183 CE LYS A 73 -0.344 -7.985 13.901 1.00 0.00 C ATOM 1184 NZ LYS A 73 0.850 -8.263 14.749 1.00 0.00 N ATOM 0 H LYS A 73 -0.439 -6.181 7.615 1.00 0.00 H new ATOM 0 HA LYS A 73 0.188 -8.201 9.749 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.427 -5.838 10.596 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.226 -5.523 10.107 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.483 -6.129 12.383 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.838 -7.634 11.558 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.440 -8.468 11.946 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.963 -6.911 12.556 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.939 -7.185 14.343 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.982 -8.867 13.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.542 -8.534 15.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.400 -9.040 14.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.442 -7.410 14.805 1.00 0.00 H new ATOM 1198 N TYR A 74 -2.528 -7.236 8.167 1.00 0.00 N ATOM 1199 CA TYR A 74 -3.891 -7.687 7.770 1.00 0.00 C ATOM 1200 C TYR A 74 -3.798 -9.089 7.164 1.00 0.00 C ATOM 1201 O TYR A 74 -4.730 -9.866 7.226 1.00 0.00 O ATOM 1202 CB TYR A 74 -4.464 -6.719 6.732 1.00 0.00 C ATOM 1203 CG TYR A 74 -5.899 -7.086 6.434 1.00 0.00 C ATOM 1204 CD1 TYR A 74 -6.189 -8.017 5.429 1.00 0.00 C ATOM 1205 CD2 TYR A 74 -6.940 -6.497 7.164 1.00 0.00 C ATOM 1206 CE1 TYR A 74 -7.518 -8.359 5.154 1.00 0.00 C ATOM 1207 CE2 TYR A 74 -8.269 -6.840 6.888 1.00 0.00 C ATOM 1208 CZ TYR A 74 -8.558 -7.771 5.883 1.00 0.00 C ATOM 1209 OH TYR A 74 -9.868 -8.109 5.612 1.00 0.00 O ATOM 0 H TYR A 74 -2.212 -6.375 7.720 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.542 -7.708 8.644 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.410 -5.696 7.105 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.871 -6.757 5.818 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.387 -8.471 4.866 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.717 -5.779 7.939 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.741 -9.077 4.379 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.072 -6.386 7.451 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.465 -7.611 6.209 1.00 0.00 H new ATOM 1219 N ILE A 75 -2.681 -9.410 6.566 1.00 0.00 N ATOM 1220 CA ILE A 75 -2.515 -10.756 5.941 1.00 0.00 C ATOM 1221 C ILE A 75 -1.505 -11.581 6.750 1.00 0.00 C ATOM 1222 O ILE A 75 -0.311 -11.449 6.566 1.00 0.00 O ATOM 1223 CB ILE A 75 -1.975 -10.588 4.517 1.00 0.00 C ATOM 1224 CG1 ILE A 75 -1.717 -9.108 4.233 1.00 0.00 C ATOM 1225 CG2 ILE A 75 -2.990 -11.126 3.509 1.00 0.00 C ATOM 1226 CD1 ILE A 75 -1.103 -8.962 2.842 1.00 0.00 C ATOM 0 H ILE A 75 -1.872 -8.794 6.483 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.479 -11.264 5.924 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.043 -11.145 4.425 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.649 -8.546 4.293 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.046 -8.693 4.985 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.600 -11.003 2.499 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.170 -12.183 3.703 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.926 -10.575 3.606 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.917 -7.908 2.635 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.162 -9.511 2.800 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.791 -9.362 2.097 1.00 0.00 H new ATOM 1238 N PRO A 76 -1.965 -12.435 7.633 1.00 0.00 N ATOM 1239 CA PRO A 76 -1.057 -13.286 8.454 1.00 0.00 C ATOM 1240 C PRO A 76 -0.083 -14.079 7.583 1.00 0.00 C ATOM 1241 O PRO A 76 -0.434 -14.564 6.526 1.00 0.00 O ATOM 1242 CB PRO A 76 -1.999 -14.234 9.202 1.00 0.00 C ATOM 1243 CG PRO A 76 -3.334 -13.568 9.193 1.00 0.00 C ATOM 1244 CD PRO A 76 -3.381 -12.683 7.948 1.00 0.00 C ATOM 0 HA PRO A 76 -0.437 -12.687 9.122 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.044 -15.207 8.713 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -1.654 -14.405 10.222 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.134 -14.308 9.171 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.475 -12.973 10.095 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.892 -13.181 7.124 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.916 -11.753 8.140 1.00 0.00 H new ATOM 1252 N GLY A 77 1.140 -14.205 8.012 1.00 0.00 N ATOM 1253 CA GLY A 77 2.138 -14.955 7.203 1.00 0.00 C ATOM 1254 C GLY A 77 2.839 -13.979 6.261 1.00 0.00 C ATOM 1255 O GLY A 77 3.704 -14.350 5.492 1.00 0.00 O ATOM 0 H GLY A 77 1.492 -13.821 8.889 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.865 -15.439 7.855 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.646 -15.743 6.633 1.00 0.00 H new ATOM 1259 N THR A 78 2.468 -12.728 6.317 1.00 0.00 N ATOM 1260 CA THR A 78 3.106 -11.718 5.431 1.00 0.00 C ATOM 1261 C THR A 78 4.370 -11.181 6.105 1.00 0.00 C ATOM 1262 O THR A 78 4.556 -11.319 7.297 1.00 0.00 O ATOM 1263 CB THR A 78 2.128 -10.565 5.191 1.00 0.00 C ATOM 1264 OG1 THR A 78 2.692 -9.657 4.256 1.00 0.00 O ATOM 1265 CG2 THR A 78 1.865 -9.843 6.510 1.00 0.00 C ATOM 0 H THR A 78 1.748 -12.363 6.941 1.00 0.00 H new ATOM 0 HA THR A 78 3.368 -12.178 4.478 1.00 0.00 H new ATOM 0 HB THR A 78 1.190 -10.955 4.797 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.145 -8.844 4.219 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.169 -9.021 6.342 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.436 -10.542 7.228 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.803 -9.450 6.903 1.00 0.00 H new ATOM 1273 N LYS A 79 5.241 -10.566 5.353 1.00 0.00 N ATOM 1274 CA LYS A 79 6.491 -10.019 5.955 1.00 0.00 C ATOM 1275 C LYS A 79 6.220 -8.590 6.438 1.00 0.00 C ATOM 1276 O LYS A 79 5.614 -7.802 5.741 1.00 0.00 O ATOM 1277 CB LYS A 79 7.591 -9.990 4.892 1.00 0.00 C ATOM 1278 CG LYS A 79 7.765 -11.384 4.286 1.00 0.00 C ATOM 1279 CD LYS A 79 8.897 -11.349 3.255 1.00 0.00 C ATOM 1280 CE LYS A 79 8.903 -12.651 2.451 1.00 0.00 C ATOM 1281 NZ LYS A 79 10.227 -13.319 2.597 1.00 0.00 N ATOM 0 H LYS A 79 5.142 -10.418 4.349 1.00 0.00 H new ATOM 0 HA LYS A 79 6.807 -10.643 6.791 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.336 -9.274 4.111 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.529 -9.657 5.336 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.993 -12.108 5.069 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.837 -11.706 3.814 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.767 -10.498 2.586 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.855 -11.216 3.757 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.110 -13.311 2.802 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.703 -12.443 1.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.231 -14.204 2.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.975 -12.689 2.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.400 -13.531 3.600 1.00 0.00 H new ATOM 1295 N MET A 80 6.661 -8.251 7.623 1.00 0.00 N ATOM 1296 CA MET A 80 6.421 -6.871 8.147 1.00 0.00 C ATOM 1297 C MET A 80 7.759 -6.176 8.405 1.00 0.00 C ATOM 1298 O MET A 80 8.738 -6.807 8.752 1.00 0.00 O ATOM 1299 CB MET A 80 5.632 -6.956 9.456 1.00 0.00 C ATOM 1300 CG MET A 80 5.243 -5.548 9.910 1.00 0.00 C ATOM 1301 SD MET A 80 4.451 -5.634 11.536 1.00 0.00 S ATOM 1302 CE MET A 80 5.923 -6.076 12.493 1.00 0.00 C ATOM 0 H MET A 80 7.176 -8.869 8.250 1.00 0.00 H new ATOM 0 HA MET A 80 5.854 -6.299 7.412 1.00 0.00 H new ATOM 0 HB2 MET A 80 4.738 -7.564 9.315 1.00 0.00 H new ATOM 0 HB3 MET A 80 6.232 -7.444 10.224 1.00 0.00 H new ATOM 0 HG2 MET A 80 6.127 -4.913 9.958 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.564 -5.096 9.187 1.00 0.00 H new ATOM 0 HE1 MET A 80 5.982 -5.447 13.381 1.00 0.00 H new ATOM 0 HE2 MET A 80 5.862 -7.122 12.792 1.00 0.00 H new ATOM 0 HE3 MET A 80 6.813 -5.925 11.882 1.00 0.00 H new ATOM 1312 N ALA A 81 7.813 -4.879 8.242 1.00 0.00 N ATOM 1313 CA ALA A 81 9.094 -4.158 8.482 1.00 0.00 C ATOM 1314 C ALA A 81 8.878 -2.641 8.410 1.00 0.00 C ATOM 1315 O ALA A 81 9.809 -1.891 8.194 1.00 0.00 O ATOM 1316 CB ALA A 81 10.116 -4.577 7.423 1.00 0.00 C ATOM 0 H ALA A 81 7.029 -4.293 7.955 1.00 0.00 H new ATOM 0 HA ALA A 81 9.462 -4.413 9.476 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.055 -4.051 7.595 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.285 -5.652 7.486 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.737 -4.327 6.432 1.00 0.00 H new ATOM 1322 N PHE A 82 7.669 -2.176 8.597 1.00 0.00 N ATOM 1323 CA PHE A 82 7.430 -0.702 8.542 1.00 0.00 C ATOM 1324 C PHE A 82 7.358 -0.144 9.969 1.00 0.00 C ATOM 1325 O PHE A 82 6.844 -0.777 10.869 1.00 0.00 O ATOM 1326 CB PHE A 82 6.121 -0.395 7.810 1.00 0.00 C ATOM 1327 CG PHE A 82 6.028 1.096 7.617 1.00 0.00 C ATOM 1328 CD1 PHE A 82 6.690 1.705 6.546 1.00 0.00 C ATOM 1329 CD2 PHE A 82 5.297 1.870 8.521 1.00 0.00 C ATOM 1330 CE1 PHE A 82 6.623 3.092 6.379 1.00 0.00 C ATOM 1331 CE2 PHE A 82 5.227 3.257 8.355 1.00 0.00 C ATOM 1332 CZ PHE A 82 5.892 3.869 7.284 1.00 0.00 C ATOM 0 H PHE A 82 6.844 -2.747 8.784 1.00 0.00 H new ATOM 0 HA PHE A 82 8.252 -0.234 8.000 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.095 -0.905 6.847 1.00 0.00 H new ATOM 0 HB3 PHE A 82 5.269 -0.758 8.386 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.253 1.104 5.848 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.786 1.398 9.347 1.00 0.00 H new ATOM 0 HE1 PHE A 82 7.135 3.563 5.553 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.660 3.856 9.052 1.00 0.00 H new ATOM 0 HZ PHE A 82 5.840 4.940 7.157 1.00 0.00 H new ATOM 1342 N GLY A 83 7.887 1.034 10.185 1.00 0.00 N ATOM 1343 CA GLY A 83 7.867 1.630 11.555 1.00 0.00 C ATOM 1344 C GLY A 83 6.435 1.681 12.099 1.00 0.00 C ATOM 1345 O GLY A 83 6.161 1.206 13.184 1.00 0.00 O ATOM 0 H GLY A 83 8.333 1.609 9.470 1.00 0.00 H new ATOM 0 HA2 GLY A 83 8.495 1.041 12.223 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.287 2.635 11.527 1.00 0.00 H new ATOM 1349 N GLY A 84 5.516 2.247 11.363 1.00 0.00 N ATOM 1350 CA GLY A 84 4.108 2.311 11.860 1.00 0.00 C ATOM 1351 C GLY A 84 3.362 3.483 11.209 1.00 0.00 C ATOM 1352 O GLY A 84 3.426 4.606 11.668 1.00 0.00 O ATOM 0 H GLY A 84 5.676 2.665 10.446 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.594 1.376 11.637 1.00 0.00 H new ATOM 0 HA3 GLY A 84 4.103 2.426 12.944 1.00 0.00 H new ATOM 1356 N LEU A 85 2.648 3.222 10.146 1.00 0.00 N ATOM 1357 CA LEU A 85 1.883 4.305 9.462 1.00 0.00 C ATOM 1358 C LEU A 85 0.554 4.512 10.187 1.00 0.00 C ATOM 1359 O LEU A 85 -0.380 5.072 9.647 1.00 0.00 O ATOM 1360 CB LEU A 85 1.624 3.896 8.012 1.00 0.00 C ATOM 1361 CG LEU A 85 1.564 5.140 7.125 1.00 0.00 C ATOM 1362 CD1 LEU A 85 2.930 5.819 7.103 1.00 0.00 C ATOM 1363 CD2 LEU A 85 1.191 4.729 5.705 1.00 0.00 C ATOM 0 H LEU A 85 2.562 2.299 9.720 1.00 0.00 H new ATOM 0 HA LEU A 85 2.453 5.234 9.479 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.414 3.229 7.666 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.687 3.343 7.942 1.00 0.00 H new ATOM 0 HG LEU A 85 0.818 5.830 7.520 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.886 6.705 6.470 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.208 6.110 8.116 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.674 5.128 6.707 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.147 5.614 5.070 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.941 4.040 5.317 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.217 4.239 5.712 1.00 0.00 H new ATOM 1375 N LYS A 86 0.460 4.062 11.408 1.00 0.00 N ATOM 1376 CA LYS A 86 -0.803 4.228 12.171 1.00 0.00 C ATOM 1377 C LYS A 86 -1.211 5.702 12.162 1.00 0.00 C ATOM 1378 O LYS A 86 -2.378 6.032 12.238 1.00 0.00 O ATOM 1379 CB LYS A 86 -0.586 3.765 13.611 1.00 0.00 C ATOM 1380 CG LYS A 86 -0.291 2.264 13.628 1.00 0.00 C ATOM 1381 CD LYS A 86 -0.191 1.779 15.075 1.00 0.00 C ATOM 1382 CE LYS A 86 0.221 0.306 15.093 1.00 0.00 C ATOM 1383 NZ LYS A 86 0.687 -0.064 16.460 1.00 0.00 N ATOM 0 H LYS A 86 1.209 3.585 11.910 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.591 3.632 11.712 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.242 4.314 14.059 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.471 3.979 14.210 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.079 1.722 13.105 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.640 2.060 13.100 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.538 2.378 15.621 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.149 1.906 15.579 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.621 -0.322 14.802 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.015 0.131 14.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 0.967 -1.066 16.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.502 0.527 16.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.083 0.088 17.142 1.00 0.00 H new ATOM 1397 N LYS A 87 -0.261 6.592 12.066 1.00 0.00 N ATOM 1398 CA LYS A 87 -0.605 8.039 12.051 1.00 0.00 C ATOM 1399 C LYS A 87 -1.582 8.309 10.906 1.00 0.00 C ATOM 1400 O LYS A 87 -1.302 8.031 9.756 1.00 0.00 O ATOM 1401 CB LYS A 87 0.666 8.866 11.845 1.00 0.00 C ATOM 1402 CG LYS A 87 1.601 8.668 13.040 1.00 0.00 C ATOM 1403 CD LYS A 87 2.819 9.583 12.892 1.00 0.00 C ATOM 1404 CE LYS A 87 3.809 9.299 14.023 1.00 0.00 C ATOM 1405 NZ LYS A 87 4.109 10.565 14.750 1.00 0.00 N ATOM 0 H LYS A 87 0.734 6.379 11.998 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.064 8.317 13.000 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.165 8.563 10.925 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.413 9.921 11.738 1.00 0.00 H new ATOM 0 HG2 LYS A 87 1.075 8.892 13.968 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.920 7.627 13.098 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.296 9.418 11.926 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.508 10.627 12.920 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.391 8.563 14.710 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.727 8.873 13.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.782 10.373 15.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.524 11.254 14.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.230 10.953 15.148 1.00 0.00 H new ATOM 1419 N GLU A 88 -2.731 8.841 11.215 1.00 0.00 N ATOM 1420 CA GLU A 88 -3.740 9.125 10.156 1.00 0.00 C ATOM 1421 C GLU A 88 -3.187 10.148 9.159 1.00 0.00 C ATOM 1422 O GLU A 88 -3.560 10.163 8.003 1.00 0.00 O ATOM 1423 CB GLU A 88 -5.007 9.678 10.803 1.00 0.00 C ATOM 1424 CG GLU A 88 -6.104 9.812 9.745 1.00 0.00 C ATOM 1425 CD GLU A 88 -7.337 10.469 10.367 1.00 0.00 C ATOM 1426 OE1 GLU A 88 -7.282 10.796 11.541 1.00 0.00 O ATOM 1427 OE2 GLU A 88 -8.316 10.635 9.658 1.00 0.00 O ATOM 0 H GLU A 88 -3.017 9.093 12.161 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.969 8.202 9.624 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.338 9.016 11.603 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.803 10.648 11.256 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.745 10.409 8.907 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.363 8.830 9.349 1.00 0.00 H new ATOM 1434 N LYS A 89 -2.317 11.015 9.599 1.00 0.00 N ATOM 1435 CA LYS A 89 -1.763 12.046 8.675 1.00 0.00 C ATOM 1436 C LYS A 89 -1.114 11.374 7.467 1.00 0.00 C ATOM 1437 O LYS A 89 -1.429 11.674 6.332 1.00 0.00 O ATOM 1438 CB LYS A 89 -0.705 12.864 9.415 1.00 0.00 C ATOM 1439 CG LYS A 89 -0.285 14.058 8.556 1.00 0.00 C ATOM 1440 CD LYS A 89 0.820 14.838 9.271 1.00 0.00 C ATOM 1441 CE LYS A 89 1.133 16.115 8.488 1.00 0.00 C ATOM 1442 NZ LYS A 89 2.606 16.342 8.479 1.00 0.00 N ATOM 0 H LYS A 89 -1.966 11.055 10.556 1.00 0.00 H new ATOM 0 HA LYS A 89 -2.572 12.693 8.336 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -1.101 13.211 10.369 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.161 12.241 9.637 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.069 13.714 7.584 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.142 14.706 8.372 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.506 15.088 10.284 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.716 14.223 9.358 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.761 16.029 7.467 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.626 16.966 8.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 2.820 17.210 7.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 2.948 16.442 9.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 3.079 15.533 8.027 1.00 0.00 H new ATOM 1456 N ASP A 90 -0.207 10.471 7.700 1.00 0.00 N ATOM 1457 CA ASP A 90 0.464 9.782 6.564 1.00 0.00 C ATOM 1458 C ASP A 90 -0.559 8.951 5.790 1.00 0.00 C ATOM 1459 O ASP A 90 -0.594 8.956 4.575 1.00 0.00 O ATOM 1460 CB ASP A 90 1.556 8.861 7.105 1.00 0.00 C ATOM 1461 CG ASP A 90 2.649 9.698 7.771 1.00 0.00 C ATOM 1462 OD1 ASP A 90 2.661 10.900 7.557 1.00 0.00 O ATOM 1463 OD2 ASP A 90 3.455 9.125 8.484 1.00 0.00 O ATOM 0 H ASP A 90 0.100 10.179 8.628 1.00 0.00 H new ATOM 0 HA ASP A 90 0.905 10.525 5.900 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.132 8.160 7.824 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.981 8.268 6.295 1.00 0.00 H new ATOM 1468 N ARG A 91 -1.385 8.228 6.487 1.00 0.00 N ATOM 1469 CA ARG A 91 -2.402 7.381 5.802 1.00 0.00 C ATOM 1470 C ARG A 91 -3.300 8.236 4.898 1.00 0.00 C ATOM 1471 O ARG A 91 -3.690 7.815 3.828 1.00 0.00 O ATOM 1472 CB ARG A 91 -3.271 6.695 6.858 1.00 0.00 C ATOM 1473 CG ARG A 91 -2.409 5.748 7.696 1.00 0.00 C ATOM 1474 CD ARG A 91 -3.250 5.159 8.830 1.00 0.00 C ATOM 1475 NE ARG A 91 -4.320 4.288 8.266 1.00 0.00 N ATOM 1476 CZ ARG A 91 -5.490 4.791 7.972 1.00 0.00 C ATOM 1477 NH1 ARG A 91 -5.716 6.066 8.136 1.00 0.00 N ATOM 1478 NH2 ARG A 91 -6.432 4.019 7.504 1.00 0.00 N ATOM 0 H ARG A 91 -1.402 8.185 7.506 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.887 6.641 5.189 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.738 7.442 7.500 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.076 6.140 6.376 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.014 4.949 7.069 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -1.553 6.285 8.105 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -2.616 4.582 9.503 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.694 5.961 9.420 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.139 3.297 8.109 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -4.979 6.673 8.494 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -6.630 6.456 7.906 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.255 3.024 7.368 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.345 4.411 7.274 1.00 0.00 H new ATOM 1492 N ASN A 92 -3.650 9.419 5.324 1.00 0.00 N ATOM 1493 CA ASN A 92 -4.543 10.273 4.488 1.00 0.00 C ATOM 1494 C ASN A 92 -3.824 10.759 3.229 1.00 0.00 C ATOM 1495 O ASN A 92 -4.286 10.556 2.124 1.00 0.00 O ATOM 1496 CB ASN A 92 -4.994 11.485 5.303 1.00 0.00 C ATOM 1497 CG ASN A 92 -5.949 11.039 6.409 1.00 0.00 C ATOM 1498 OD1 ASN A 92 -6.303 9.879 6.492 1.00 0.00 O ATOM 1499 ND2 ASN A 92 -6.397 11.921 7.259 1.00 0.00 N ATOM 0 H ASN A 92 -3.358 9.830 6.211 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.403 9.675 4.188 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -4.128 11.985 5.737 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -5.487 12.208 4.654 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.045 11.638 7.994 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.099 12.894 7.189 1.00 0.00 H new ATOM 1506 N ASP A 93 -2.709 11.416 3.381 1.00 0.00 N ATOM 1507 CA ASP A 93 -1.983 11.929 2.185 1.00 0.00 C ATOM 1508 C ASP A 93 -1.429 10.767 1.357 1.00 0.00 C ATOM 1509 O ASP A 93 -1.341 10.842 0.147 1.00 0.00 O ATOM 1510 CB ASP A 93 -0.850 12.869 2.626 1.00 0.00 C ATOM 1511 CG ASP A 93 0.165 12.123 3.499 1.00 0.00 C ATOM 1512 OD1 ASP A 93 0.074 10.914 3.584 1.00 0.00 O ATOM 1513 OD2 ASP A 93 1.013 12.783 4.074 1.00 0.00 O ATOM 0 H ASP A 93 -2.269 11.620 4.278 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.679 12.489 1.561 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.350 13.280 1.749 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -1.265 13.711 3.180 1.00 0.00 H new ATOM 1518 N LEU A 94 -1.054 9.695 1.993 1.00 0.00 N ATOM 1519 CA LEU A 94 -0.505 8.533 1.240 1.00 0.00 C ATOM 1520 C LEU A 94 -1.498 8.081 0.177 1.00 0.00 C ATOM 1521 O LEU A 94 -1.181 7.986 -0.992 1.00 0.00 O ATOM 1522 CB LEU A 94 -0.270 7.383 2.217 1.00 0.00 C ATOM 1523 CG LEU A 94 0.203 6.143 1.457 1.00 0.00 C ATOM 1524 CD1 LEU A 94 1.449 6.478 0.641 1.00 0.00 C ATOM 1525 CD2 LEU A 94 0.542 5.042 2.459 1.00 0.00 C ATOM 0 H LEU A 94 -1.104 9.572 3.004 1.00 0.00 H new ATOM 0 HA LEU A 94 0.429 8.823 0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.474 7.671 2.959 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.190 7.160 2.758 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.588 5.808 0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.781 5.590 0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.215 7.269 -0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.242 6.814 1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.880 4.155 1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.333 5.387 3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.344 4.797 3.044 1.00 0.00 H new ATOM 1537 N ILE A 95 -2.694 7.788 0.584 1.00 0.00 N ATOM 1538 CA ILE A 95 -3.720 7.322 -0.379 1.00 0.00 C ATOM 1539 C ILE A 95 -4.068 8.430 -1.370 1.00 0.00 C ATOM 1540 O ILE A 95 -4.395 8.170 -2.512 1.00 0.00 O ATOM 1541 CB ILE A 95 -4.963 6.906 0.393 1.00 0.00 C ATOM 1542 CG1 ILE A 95 -4.585 5.781 1.357 1.00 0.00 C ATOM 1543 CG2 ILE A 95 -6.021 6.413 -0.586 1.00 0.00 C ATOM 1544 CD1 ILE A 95 -5.818 5.353 2.157 1.00 0.00 C ATOM 0 H ILE A 95 -3.008 7.852 1.552 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.330 6.474 -0.941 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.361 7.752 0.953 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.187 4.932 0.802 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.799 6.117 2.033 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.914 6.114 -0.037 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.274 7.213 -1.282 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.633 5.559 -1.141 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.546 4.551 2.843 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.197 6.203 2.724 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.590 5.000 1.474 1.00 0.00 H new ATOM 1556 N THR A 96 -4.006 9.661 -0.955 1.00 0.00 N ATOM 1557 CA THR A 96 -4.338 10.766 -1.885 1.00 0.00 C ATOM 1558 C THR A 96 -3.532 10.589 -3.171 1.00 0.00 C ATOM 1559 O THR A 96 -4.032 10.779 -4.263 1.00 0.00 O ATOM 1560 CB THR A 96 -3.976 12.097 -1.227 1.00 0.00 C ATOM 1561 OG1 THR A 96 -4.540 12.146 0.076 1.00 0.00 O ATOM 1562 CG2 THR A 96 -4.530 13.242 -2.064 1.00 0.00 C ATOM 0 H THR A 96 -3.740 9.948 -0.013 1.00 0.00 H new ATOM 0 HA THR A 96 -5.403 10.756 -2.118 1.00 0.00 H new ATOM 0 HB THR A 96 -2.892 12.189 -1.158 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.120 11.463 0.640 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.273 14.192 -1.596 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.100 13.202 -3.065 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.614 13.152 -2.131 1.00 0.00 H new ATOM 1570 N TYR A 97 -2.289 10.219 -3.050 1.00 0.00 N ATOM 1571 CA TYR A 97 -1.445 10.018 -4.258 1.00 0.00 C ATOM 1572 C TYR A 97 -1.783 8.679 -4.921 1.00 0.00 C ATOM 1573 O TYR A 97 -1.940 8.593 -6.123 1.00 0.00 O ATOM 1574 CB TYR A 97 0.029 10.038 -3.851 1.00 0.00 C ATOM 1575 CG TYR A 97 0.882 9.635 -5.027 1.00 0.00 C ATOM 1576 CD1 TYR A 97 1.132 10.542 -6.063 1.00 0.00 C ATOM 1577 CD2 TYR A 97 1.425 8.347 -5.079 1.00 0.00 C ATOM 1578 CE1 TYR A 97 1.924 10.160 -7.152 1.00 0.00 C ATOM 1579 CE2 TYR A 97 2.217 7.964 -6.165 1.00 0.00 C ATOM 1580 CZ TYR A 97 2.467 8.869 -7.203 1.00 0.00 C ATOM 1581 OH TYR A 97 3.249 8.491 -8.276 1.00 0.00 O ATOM 0 H TYR A 97 -1.819 10.046 -2.161 1.00 0.00 H new ATOM 0 HA TYR A 97 -1.639 10.819 -4.971 1.00 0.00 H new ATOM 0 HB2 TYR A 97 0.309 11.035 -3.510 1.00 0.00 H new ATOM 0 HB3 TYR A 97 0.196 9.357 -3.017 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.714 11.537 -6.022 1.00 0.00 H new ATOM 0 HD2 TYR A 97 1.232 7.648 -4.279 1.00 0.00 H new ATOM 0 HE1 TYR A 97 2.116 10.859 -7.952 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.636 6.969 -6.203 1.00 0.00 H new ATOM 0 HH TYR A 97 3.546 7.565 -8.154 1.00 0.00 H new ATOM 1591 N LEU A 98 -1.887 7.632 -4.148 1.00 0.00 N ATOM 1592 CA LEU A 98 -2.204 6.298 -4.738 1.00 0.00 C ATOM 1593 C LEU A 98 -3.526 6.366 -5.501 1.00 0.00 C ATOM 1594 O LEU A 98 -3.622 5.951 -6.638 1.00 0.00 O ATOM 1595 CB LEU A 98 -2.333 5.267 -3.617 1.00 0.00 C ATOM 1596 CG LEU A 98 -1.039 5.222 -2.805 1.00 0.00 C ATOM 1597 CD1 LEU A 98 -1.218 4.284 -1.609 1.00 0.00 C ATOM 1598 CD2 LEU A 98 0.094 4.699 -3.684 1.00 0.00 C ATOM 0 H LEU A 98 -1.767 7.642 -3.135 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.404 6.012 -5.421 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.171 5.523 -2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.544 4.284 -4.037 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.799 6.225 -2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.295 4.252 -1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.029 4.649 -0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.458 3.282 -1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.018 4.666 -3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.150 3.696 -4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.225 5.360 -4.540 1.00 0.00 H new ATOM 1610 N LYS A 99 -4.545 6.890 -4.883 1.00 0.00 N ATOM 1611 CA LYS A 99 -5.861 6.990 -5.572 1.00 0.00 C ATOM 1612 C LYS A 99 -5.724 7.881 -6.806 1.00 0.00 C ATOM 1613 O LYS A 99 -6.310 7.623 -7.839 1.00 0.00 O ATOM 1614 CB LYS A 99 -6.894 7.578 -4.612 1.00 0.00 C ATOM 1615 CG LYS A 99 -8.256 7.663 -5.307 1.00 0.00 C ATOM 1616 CD LYS A 99 -9.269 8.319 -4.367 1.00 0.00 C ATOM 1617 CE LYS A 99 -10.653 8.310 -5.021 1.00 0.00 C ATOM 1618 NZ LYS A 99 -11.071 9.710 -5.314 1.00 0.00 N ATOM 0 H LYS A 99 -4.524 7.254 -3.930 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.189 5.998 -5.884 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.969 6.958 -3.719 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.579 8.569 -4.286 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.171 8.241 -6.227 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.596 6.666 -5.587 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.300 7.784 -3.418 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.966 9.342 -4.146 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.629 7.726 -5.941 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.377 7.833 -4.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.011 9.706 -5.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.109 10.254 -4.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -10.385 10.149 -5.960 1.00 0.00 H new ATOM 1632 N LYS A 100 -4.949 8.925 -6.709 1.00 0.00 N ATOM 1633 CA LYS A 100 -4.767 9.831 -7.878 1.00 0.00 C ATOM 1634 C LYS A 100 -4.209 9.025 -9.047 1.00 0.00 C ATOM 1635 O LYS A 100 -4.638 9.158 -10.175 1.00 0.00 O ATOM 1636 CB LYS A 100 -3.769 10.928 -7.511 1.00 0.00 C ATOM 1637 CG LYS A 100 -3.762 12.001 -8.602 1.00 0.00 C ATOM 1638 CD LYS A 100 -2.713 13.062 -8.266 1.00 0.00 C ATOM 1639 CE LYS A 100 -2.797 14.207 -9.278 1.00 0.00 C ATOM 1640 NZ LYS A 100 -2.818 15.509 -8.555 1.00 0.00 N ATOM 0 H LYS A 100 -4.433 9.190 -5.870 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.723 10.277 -8.153 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.037 11.372 -6.552 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.772 10.503 -7.398 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.542 11.550 -9.569 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.747 12.461 -8.682 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.876 13.442 -7.258 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.716 12.621 -8.283 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.945 14.170 -9.957 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -3.695 14.103 -9.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -2.875 16.287 -9.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.644 15.543 -7.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -1.949 15.608 -7.992 1.00 0.00 H new ATOM 1654 N ALA A 101 -3.256 8.184 -8.771 1.00 0.00 N ATOM 1655 CA ALA A 101 -2.658 7.348 -9.849 1.00 0.00 C ATOM 1656 C ALA A 101 -3.692 6.319 -10.293 1.00 0.00 C ATOM 1657 O ALA A 101 -3.959 6.152 -11.466 1.00 0.00 O ATOM 1658 CB ALA A 101 -1.415 6.632 -9.316 1.00 0.00 C ATOM 0 H ALA A 101 -2.862 8.038 -7.841 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.369 7.976 -10.692 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.980 6.021 -10.107 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -0.685 7.370 -8.984 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.694 5.994 -8.477 1.00 0.00 H new ATOM 1664 N THR A 102 -4.292 5.643 -9.354 1.00 0.00 N ATOM 1665 CA THR A 102 -5.329 4.641 -9.709 1.00 0.00 C ATOM 1666 C THR A 102 -6.473 5.368 -10.412 1.00 0.00 C ATOM 1667 O THR A 102 -7.143 4.822 -11.267 1.00 0.00 O ATOM 1668 CB THR A 102 -5.851 3.967 -8.437 1.00 0.00 C ATOM 1669 OG1 THR A 102 -4.757 3.427 -7.708 1.00 0.00 O ATOM 1670 CG2 THR A 102 -6.821 2.845 -8.811 1.00 0.00 C ATOM 0 H THR A 102 -4.108 5.743 -8.356 1.00 0.00 H new ATOM 0 HA THR A 102 -4.908 3.878 -10.363 1.00 0.00 H new ATOM 0 HB THR A 102 -6.371 4.702 -7.823 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.307 4.144 -7.215 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.191 2.367 -7.904 1.00 0.00 H new ATOM 0 HG22 THR A 102 -7.659 3.260 -9.370 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.305 2.107 -9.425 1.00 0.00 H new ATOM 1678 N GLU A 103 -6.700 6.604 -10.052 1.00 0.00 N ATOM 1679 CA GLU A 103 -7.800 7.376 -10.696 1.00 0.00 C ATOM 1680 C GLU A 103 -7.537 7.482 -12.200 1.00 0.00 C ATOM 1681 O GLU A 103 -8.128 6.779 -12.994 1.00 0.00 O ATOM 1682 CB GLU A 103 -7.863 8.780 -10.089 1.00 0.00 C ATOM 1683 CG GLU A 103 -9.070 9.528 -10.658 1.00 0.00 C ATOM 1684 CD GLU A 103 -9.076 10.964 -10.131 1.00 0.00 C ATOM 1685 OE1 GLU A 103 -8.164 11.308 -9.396 1.00 0.00 O ATOM 1686 OE2 GLU A 103 -9.991 11.695 -10.471 1.00 0.00 O ATOM 0 H GLU A 103 -6.172 7.110 -9.341 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.748 6.865 -10.528 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.940 8.715 -9.004 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.946 9.325 -10.311 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.030 9.529 -11.747 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -9.992 9.021 -10.374 1.00 0.00 H new TER 1693 GLU A 103 HETATM 1694 FE HEC A 104 4.705 -2.568 1.707 1.00 0.00 FE HETATM 1695 CHA HEC A 104 2.783 -5.228 0.868 1.00 0.00 C HETATM 1696 CHB HEC A 104 2.085 -0.508 1.143 1.00 0.00 C HETATM 1697 CHC HEC A 104 6.618 0.082 2.572 1.00 0.00 C HETATM 1698 CHD HEC A 104 7.338 -4.637 2.206 1.00 0.00 C HETATM 1699 NA HEC A 104 2.849 -2.812 1.135 1.00 0.00 N HETATM 1700 C1A HEC A 104 2.200 -3.989 0.828 1.00 0.00 C HETATM 1701 C2A HEC A 104 0.817 -3.757 0.488 1.00 0.00 C HETATM 1702 C3A HEC A 104 0.637 -2.421 0.519 1.00 0.00 C HETATM 1703 C4A HEC A 104 1.883 -1.848 0.958 1.00 0.00 C HETATM 1704 CMA HEC A 104 -0.566 -1.678 0.056 1.00 0.00 C HETATM 1705 CAA HEC A 104 -0.255 -4.784 0.380 1.00 0.00 C HETATM 1706 CBA HEC A 104 -0.487 -5.228 -1.066 1.00 0.00 C HETATM 1707 CGA HEC A 104 -1.142 -6.610 -1.080 1.00 0.00 C HETATM 1708 O1A HEC A 104 -0.668 -7.460 -1.817 1.00 0.00 O HETATM 1709 O2A HEC A 104 -2.107 -6.796 -0.358 1.00 0.00 O HETATM 1710 NB HEC A 104 4.413 -0.636 1.831 1.00 0.00 N HETATM 1711 C1B HEC A 104 3.263 0.065 1.543 1.00 0.00 C HETATM 1712 C2B HEC A 104 3.433 1.475 1.757 1.00 0.00 C HETATM 1713 C3B HEC A 104 4.719 1.663 2.119 1.00 0.00 C HETATM 1714 C4B HEC A 104 5.314 0.340 2.208 1.00 0.00 C HETATM 1715 CMB HEC A 104 2.353 2.495 1.797 1.00 0.00 C HETATM 1716 CAB HEC A 104 5.398 2.990 2.233 1.00 0.00 C HETATM 1717 CBB HEC A 104 4.784 3.875 3.320 1.00 0.00 C HETATM 1718 NC HEC A 104 6.560 -2.330 2.281 1.00 0.00 N HETATM 1719 C1C HEC A 104 7.200 -1.155 2.601 1.00 0.00 C HETATM 1720 C2C HEC A 104 8.567 -1.382 2.985 1.00 0.00 C HETATM 1721 C3C HEC A 104 8.798 -2.702 2.833 1.00 0.00 C HETATM 1722 C4C HEC A 104 7.536 -3.294 2.438 1.00 0.00 C HETATM 1723 CMC HEC A 104 9.478 -0.395 3.625 1.00 0.00 C HETATM 1724 CAC HEC A 104 10.136 -3.357 2.880 1.00 0.00 C HETATM 1725 CBC HEC A 104 10.625 -3.624 4.304 1.00 0.00 C HETATM 1726 ND HEC A 104 4.996 -4.500 1.565 1.00 0.00 N HETATM 1727 C1D HEC A 104 6.157 -5.201 1.796 1.00 0.00 C HETATM 1728 C2D HEC A 104 5.969 -6.616 1.606 1.00 0.00 C HETATM 1729 C3D HEC A 104 4.697 -6.787 1.199 1.00 0.00 C HETATM 1730 C4D HEC A 104 4.086 -5.477 1.211 1.00 0.00 C HETATM 1731 CMD HEC A 104 6.905 -7.693 2.010 1.00 0.00 C HETATM 1732 CAD HEC A 104 4.092 -8.069 0.726 1.00 0.00 C HETATM 1733 CBD HEC A 104 3.546 -8.904 1.885 1.00 0.00 C HETATM 1734 CGD HEC A 104 3.585 -10.387 1.511 1.00 0.00 C HETATM 1735 O1D HEC A 104 3.728 -10.678 0.335 1.00 0.00 O HETATM 1736 O2D HEC A 104 3.474 -11.206 2.408 1.00 0.00 O HETATM 0 HMD3 HEC A 104 7.861 -7.553 1.505 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 7.056 -7.658 3.089 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 6.487 -8.661 1.733 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 9.596 0.469 2.971 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 9.055 -0.074 4.577 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 10.451 -0.856 3.797 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 1.823 2.501 0.845 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 1.655 2.255 2.599 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 2.788 3.478 1.976 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -0.729 -1.873 -1.004 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 -1.437 -2.006 0.623 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 -0.415 -0.609 0.209 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 4.138 -8.729 2.783 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 2.524 -8.603 2.114 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 10.701 -2.681 4.846 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 9.919 -4.280 4.814 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 11.604 -4.102 4.269 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 3.734 4.056 3.092 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 4.865 3.375 4.285 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 5.316 4.826 3.359 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 -1.123 -4.508 -1.580 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 0.460 -5.258 -1.604 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 3.287 -7.853 0.023 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 4.842 -8.646 0.184 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 0.012 -5.650 0.986 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 -1.183 -4.383 0.788 1.00 0.00 H new HETATM 0 HHD HEC A 104 8.186 -5.304 2.360 1.00 0.00 H new HETATM 0 HHC HEC A 104 7.235 0.933 2.860 1.00 0.00 H new HETATM 0 HHB HEC A 104 1.241 0.157 0.957 1.00 0.00 H new HETATM 0 HHA HEC A 104 2.161 -6.084 0.606 1.00 0.00 H new