USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 664 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 THR OG1 : rot -77:sc= 1.21 USER MOD Set 1.2: A 55 ASN : amide:sc= 1 K(o=2.2,f=-0.3) USER MOD Set 2.1: A 38 GLN : amide:sc= -16.6! C(o=-19!,f=-17!) USER MOD Set 2.2: A 59 GLN : amide:sc= -2.02! K(o=-19!,f=-16) USER MOD Single : A 1 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.097) USER MOD Single : A 1 HIS N :NH3+ 171:sc= 0.721 (180deg=0.65) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 GLN : amide:sc= -0.985 K(o=-0.99,f=0) USER MOD Single : A 7 THR OG1 : rot 85:sc= 1.46 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 76:sc= 0.392 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 44:sc= -0.684! USER MOD Single : A 29 ASN : amide:sc= -5.91! K(o=-5.9!,f=-1.6) USER MOD Single : A 34 ASN : amide:sc= -3.13! C(o=-3.1!,f=-2.7!) USER MOD Single : A 37 GLN : amide:sc= -3.48! K(o=-3.5!,f=-0.94) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= -3.22! C(o=-3.2!,f=-3.1!) USER MOD Single : A 48 TYR OH : rot -32:sc= 1.56 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -3.88! C(o=-3.9!,f=-4.6!) USER MOD Single : A 61 MET CE :methyl 161:sc= -7.16! (180deg=-7.69!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.404 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -6.64! C(o=-6.6!,f=-5.7!) USER MOD Single : A 71 LYS NZ :NH3+ 158:sc= 1.21 (180deg=1.05) USER MOD Single : A 74 HIS : no HE2:sc= -0.749! C(o=-0.75!,f=-6.7!) USER MOD Single : A 78 THR OG1 : rot 61:sc= 1.26 USER MOD Single : A 85 HIS : no HD1:sc= -2.1! C(o=-2.1!,f=-3.5!) USER MOD Single : A 86 HIS : no HE2:sc= 0.916 K(o=0.92,f=-6.4!) USER MOD Single : A 88 HIS : no HD1:sc= -0.0098 X(o=-0.0098,f=-0.0098) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -4.020 2.878 14.633 1.00 0.00 N ATOM 2 CA HIS A 1 -2.951 3.492 15.462 1.00 0.00 C ATOM 3 C HIS A 1 -3.533 4.619 16.323 1.00 0.00 C ATOM 4 O HIS A 1 -2.932 5.683 16.453 1.00 0.00 O ATOM 5 CB HIS A 1 -1.829 4.015 14.551 1.00 0.00 C ATOM 6 CG HIS A 1 -0.542 4.348 15.256 1.00 0.00 C ATOM 7 ND1 HIS A 1 0.365 3.394 15.666 1.00 0.00 N ATOM 8 CD2 HIS A 1 0.002 5.544 15.596 1.00 0.00 C ATOM 9 CE1 HIS A 1 1.404 3.986 16.222 1.00 0.00 C ATOM 10 NE2 HIS A 1 1.213 5.293 16.191 1.00 0.00 N ATOM 0 H1 HIS A 1 -3.594 2.224 13.946 1.00 0.00 H new ATOM 0 H2 HIS A 1 -4.678 2.356 15.246 1.00 0.00 H new ATOM 0 H3 HIS A 1 -4.537 3.624 14.126 1.00 0.00 H new ATOM 0 HA HIS A 1 -2.532 2.740 16.131 1.00 0.00 H new ATOM 0 HB2 HIS A 1 -1.624 3.266 13.786 1.00 0.00 H new ATOM 0 HB3 HIS A 1 -2.185 4.907 14.036 1.00 0.00 H new ATOM 0 HD2 HIS A 1 -0.438 6.516 15.429 1.00 0.00 H new ATOM 0 HE1 HIS A 1 2.268 3.486 16.634 1.00 0.00 H new ATOM 0 HE2 HIS A 1 1.858 5.998 16.549 1.00 0.00 H new ATOM 21 N HIS A 2 -4.725 4.368 16.875 1.00 0.00 N ATOM 22 CA HIS A 2 -5.418 5.272 17.803 1.00 0.00 C ATOM 23 C HIS A 2 -5.681 6.655 17.202 1.00 0.00 C ATOM 24 O HIS A 2 -6.808 6.958 16.809 1.00 0.00 O ATOM 25 CB HIS A 2 -4.660 5.405 19.130 1.00 0.00 C ATOM 26 CG HIS A 2 -5.439 6.130 20.192 1.00 0.00 C ATOM 27 ND1 HIS A 2 -4.928 7.178 20.924 1.00 0.00 N ATOM 28 CD2 HIS A 2 -6.705 5.948 20.638 1.00 0.00 C ATOM 29 CE1 HIS A 2 -5.846 7.610 21.771 1.00 0.00 C ATOM 30 NE2 HIS A 2 -6.933 6.880 21.617 1.00 0.00 N ATOM 0 H HIS A 2 -5.247 3.513 16.686 1.00 0.00 H new ATOM 0 HA HIS A 2 -6.388 4.814 17.997 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -4.402 4.410 19.494 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -3.723 5.933 18.953 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -7.406 5.205 20.287 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -5.726 8.424 22.471 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -7.801 6.991 22.141 1.00 0.00 H new ATOM 39 N GLN A 3 -4.642 7.486 17.152 1.00 0.00 N ATOM 40 CA GLN A 3 -4.742 8.835 16.600 1.00 0.00 C ATOM 41 C GLN A 3 -5.273 8.790 15.177 1.00 0.00 C ATOM 42 O GLN A 3 -6.097 9.612 14.786 1.00 0.00 O ATOM 43 CB GLN A 3 -3.375 9.528 16.630 1.00 0.00 C ATOM 44 CG GLN A 3 -2.857 9.787 18.035 1.00 0.00 C ATOM 45 CD GLN A 3 -1.484 10.435 18.054 1.00 0.00 C ATOM 46 OE1 GLN A 3 -1.166 11.214 18.953 1.00 0.00 O ATOM 47 NE2 GLN A 3 -0.649 10.108 17.078 1.00 0.00 N ATOM 0 H GLN A 3 -3.711 7.245 17.491 1.00 0.00 H new ATOM 0 HA GLN A 3 -5.438 9.406 17.214 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -2.653 8.913 16.093 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -3.445 10.476 16.097 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.562 10.429 18.563 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -2.815 8.844 18.580 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.946 9.459 16.349 1.00 0.00 H new ATOM 0 HE22 GLN A 3 0.290 10.505 17.056 1.00 0.00 H new ATOM 56 N GLU A 4 -4.804 7.814 14.415 1.00 0.00 N ATOM 57 CA GLU A 4 -5.279 7.617 13.061 1.00 0.00 C ATOM 58 C GLU A 4 -5.593 6.155 12.789 1.00 0.00 C ATOM 59 O GLU A 4 -4.838 5.249 13.165 1.00 0.00 O ATOM 60 CB GLU A 4 -4.271 8.139 12.039 1.00 0.00 C ATOM 61 CG GLU A 4 -4.667 9.482 11.446 1.00 0.00 C ATOM 62 CD GLU A 4 -6.061 9.452 10.847 1.00 0.00 C ATOM 63 OE1 GLU A 4 -6.288 8.671 9.901 1.00 0.00 O ATOM 64 OE2 GLU A 4 -6.942 10.196 11.326 1.00 0.00 O ATOM 0 H GLU A 4 -4.093 7.147 14.715 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.201 8.189 12.959 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.295 8.232 12.515 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.166 7.410 11.235 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.622 10.247 12.221 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.948 9.764 10.677 1.00 0.00 H new ATOM 71 N LEU A 5 -6.736 5.945 12.164 1.00 0.00 N ATOM 72 CA LEU A 5 -7.160 4.635 11.702 1.00 0.00 C ATOM 73 C LEU A 5 -7.631 4.798 10.259 1.00 0.00 C ATOM 74 O LEU A 5 -8.645 4.232 9.842 1.00 0.00 O ATOM 75 CB LEU A 5 -8.296 4.115 12.600 1.00 0.00 C ATOM 76 CG LEU A 5 -8.355 2.594 12.824 1.00 0.00 C ATOM 77 CD1 LEU A 5 -8.746 1.850 11.558 1.00 0.00 C ATOM 78 CD2 LEU A 5 -7.025 2.083 13.346 1.00 0.00 C ATOM 0 H LEU A 5 -7.405 6.688 11.960 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.346 3.912 11.749 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.211 4.600 13.573 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -9.245 4.433 12.168 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.127 2.403 13.569 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -8.776 0.779 11.760 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -9.730 2.185 11.228 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -8.013 2.052 10.777 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -7.084 1.005 13.499 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.241 2.304 12.622 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -6.794 2.572 14.292 1.00 0.00 H new ATOM 90 N CYS A 6 -6.880 5.608 9.511 1.00 0.00 N ATOM 91 CA CYS A 6 -7.296 6.053 8.186 1.00 0.00 C ATOM 92 C CYS A 6 -8.633 6.766 8.311 1.00 0.00 C ATOM 93 O CYS A 6 -9.557 6.564 7.525 1.00 0.00 O ATOM 94 CB CYS A 6 -7.367 4.880 7.204 1.00 0.00 C ATOM 95 SG CYS A 6 -5.754 4.075 6.915 1.00 0.00 S ATOM 0 H CYS A 6 -5.973 5.970 9.806 1.00 0.00 H new ATOM 0 HA CYS A 6 -6.558 6.747 7.783 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -8.071 4.140 7.585 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -7.762 5.236 6.253 1.00 0.00 H new ATOM 100 N THR A 7 -8.700 7.616 9.325 1.00 0.00 N ATOM 101 CA THR A 7 -9.919 8.299 9.700 1.00 0.00 C ATOM 102 C THR A 7 -9.969 9.689 9.082 1.00 0.00 C ATOM 103 O THR A 7 -10.874 10.483 9.354 1.00 0.00 O ATOM 104 CB THR A 7 -10.042 8.380 11.231 1.00 0.00 C ATOM 105 OG1 THR A 7 -8.740 8.306 11.832 1.00 0.00 O ATOM 106 CG2 THR A 7 -10.910 7.251 11.759 1.00 0.00 C ATOM 0 H THR A 7 -7.900 7.850 9.913 1.00 0.00 H new ATOM 0 HA THR A 7 -10.764 7.727 9.318 1.00 0.00 H new ATOM 0 HB THR A 7 -10.508 9.331 11.488 1.00 0.00 H new ATOM 0 HG1 THR A 7 -8.335 9.198 11.845 1.00 0.00 H new ATOM 0 HG21 THR A 7 -10.984 7.326 12.844 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.906 7.322 11.321 1.00 0.00 H new ATOM 0 HG23 THR A 7 -10.464 6.293 11.491 1.00 0.00 H new ATOM 114 N LYS A 8 -8.981 9.965 8.241 1.00 0.00 N ATOM 115 CA LYS A 8 -8.986 11.149 7.395 1.00 0.00 C ATOM 116 C LYS A 8 -9.765 10.839 6.118 1.00 0.00 C ATOM 117 O LYS A 8 -9.611 11.498 5.079 1.00 0.00 O ATOM 118 CB LYS A 8 -7.556 11.572 7.065 1.00 0.00 C ATOM 119 CG LYS A 8 -6.730 11.933 8.290 1.00 0.00 C ATOM 120 CD LYS A 8 -5.286 12.227 7.920 1.00 0.00 C ATOM 121 CE LYS A 8 -5.182 13.401 6.964 1.00 0.00 C ATOM 122 NZ LYS A 8 -3.790 13.606 6.494 1.00 0.00 N ATOM 0 H LYS A 8 -8.156 9.376 8.127 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.466 11.975 7.920 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.061 10.762 6.529 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.586 12.429 6.392 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.166 12.804 8.780 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.763 11.113 9.007 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.715 12.441 8.823 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.840 11.344 7.462 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.834 13.231 6.107 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.536 14.305 7.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.759 14.416 5.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.172 13.793 7.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.461 12.752 6.000 1.00 0.00 H new ATOM 136 N GLY A 9 -10.573 9.790 6.224 1.00 0.00 N ATOM 137 CA GLY A 9 -11.489 9.408 5.181 1.00 0.00 C ATOM 138 C GLY A 9 -10.804 8.951 3.915 1.00 0.00 C ATOM 139 O GLY A 9 -9.573 8.848 3.847 1.00 0.00 O ATOM 0 H GLY A 9 -10.603 9.184 7.044 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -12.130 8.606 5.547 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -12.137 10.254 4.949 1.00 0.00 H new ATOM 143 N ASP A 10 -11.611 8.679 2.903 1.00 0.00 N ATOM 144 CA ASP A 10 -11.099 8.331 1.595 1.00 0.00 C ATOM 145 C ASP A 10 -10.488 9.555 0.938 1.00 0.00 C ATOM 146 O ASP A 10 -9.770 9.440 -0.039 1.00 0.00 O ATOM 147 CB ASP A 10 -12.196 7.754 0.703 1.00 0.00 C ATOM 148 CG ASP A 10 -13.356 8.710 0.512 1.00 0.00 C ATOM 149 OD1 ASP A 10 -14.242 8.750 1.390 1.00 0.00 O ATOM 150 OD2 ASP A 10 -13.396 9.420 -0.513 1.00 0.00 O ATOM 0 H ASP A 10 -12.629 8.694 2.967 1.00 0.00 H new ATOM 0 HA ASP A 10 -10.333 7.566 1.724 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.773 7.503 -0.270 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -12.564 6.826 1.140 1.00 0.00 H new ATOM 155 N ASP A 11 -10.781 10.729 1.483 1.00 0.00 N ATOM 156 CA ASP A 11 -10.153 11.959 1.025 1.00 0.00 C ATOM 157 C ASP A 11 -8.635 11.804 1.070 1.00 0.00 C ATOM 158 O ASP A 11 -7.960 11.812 0.028 1.00 0.00 O ATOM 159 CB ASP A 11 -10.593 13.141 1.893 1.00 0.00 C ATOM 160 CG ASP A 11 -10.008 14.454 1.418 1.00 0.00 C ATOM 161 OD1 ASP A 11 -8.879 14.791 1.828 1.00 0.00 O ATOM 162 OD2 ASP A 11 -10.679 15.156 0.627 1.00 0.00 O ATOM 0 H ASP A 11 -11.450 10.854 2.243 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.463 12.156 -0.001 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.681 13.208 1.887 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.290 12.963 2.925 1.00 0.00 H new ATOM 167 N ALA A 12 -8.106 11.610 2.276 1.00 0.00 N ATOM 168 CA ALA A 12 -6.677 11.391 2.440 1.00 0.00 C ATOM 169 C ALA A 12 -6.269 10.059 1.820 1.00 0.00 C ATOM 170 O ALA A 12 -5.214 9.956 1.199 1.00 0.00 O ATOM 171 CB ALA A 12 -6.289 11.433 3.908 1.00 0.00 C ATOM 0 H ALA A 12 -8.642 11.600 3.144 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.148 12.193 1.925 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.216 11.267 4.006 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.545 12.407 4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.827 10.655 4.449 1.00 0.00 H new ATOM 177 N LEU A 13 -7.133 9.058 1.971 1.00 0.00 N ATOM 178 CA LEU A 13 -6.859 7.712 1.470 1.00 0.00 C ATOM 179 C LEU A 13 -6.630 7.705 -0.043 1.00 0.00 C ATOM 180 O LEU A 13 -5.745 7.026 -0.529 1.00 0.00 O ATOM 181 CB LEU A 13 -8.017 6.777 1.828 1.00 0.00 C ATOM 182 CG LEU A 13 -7.769 5.291 1.560 1.00 0.00 C ATOM 183 CD1 LEU A 13 -6.631 4.776 2.428 1.00 0.00 C ATOM 184 CD2 LEU A 13 -9.038 4.492 1.811 1.00 0.00 C ATOM 0 H LEU A 13 -8.034 9.154 2.439 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.943 7.360 1.945 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.250 6.904 2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.899 7.087 1.267 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.484 5.168 0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.468 3.718 2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.721 5.333 2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.887 4.908 3.479 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.848 3.436 1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.349 4.620 2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.828 4.846 1.149 1.00 0.00 H new ATOM 196 N VAL A 14 -7.436 8.474 -0.760 1.00 0.00 N ATOM 197 CA VAL A 14 -7.374 8.583 -2.213 1.00 0.00 C ATOM 198 C VAL A 14 -6.170 9.410 -2.656 1.00 0.00 C ATOM 199 O VAL A 14 -5.523 9.089 -3.654 1.00 0.00 O ATOM 200 CB VAL A 14 -8.681 9.195 -2.783 1.00 0.00 C ATOM 201 CG1 VAL A 14 -8.490 9.708 -4.199 1.00 0.00 C ATOM 202 CG2 VAL A 14 -9.799 8.163 -2.758 1.00 0.00 C ATOM 0 H VAL A 14 -8.166 9.051 -0.342 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.262 7.574 -2.610 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.950 10.041 -2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.427 10.129 -4.563 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.719 10.479 -4.206 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.186 8.885 -4.846 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.711 8.604 -3.160 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.514 7.303 -3.364 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.974 7.841 -1.731 1.00 0.00 H new ATOM 212 N THR A 15 -5.864 10.473 -1.925 1.00 0.00 N ATOM 213 CA THR A 15 -4.668 11.254 -2.214 1.00 0.00 C ATOM 214 C THR A 15 -3.414 10.402 -1.981 1.00 0.00 C ATOM 215 O THR A 15 -2.542 10.271 -2.856 1.00 0.00 O ATOM 216 CB THR A 15 -4.621 12.530 -1.355 1.00 0.00 C ATOM 217 OG1 THR A 15 -5.829 13.274 -1.556 1.00 0.00 O ATOM 218 CG2 THR A 15 -3.424 13.395 -1.721 1.00 0.00 C ATOM 0 H THR A 15 -6.418 10.811 -1.138 1.00 0.00 H new ATOM 0 HA THR A 15 -4.700 11.556 -3.261 1.00 0.00 H new ATOM 0 HB THR A 15 -4.524 12.242 -0.308 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.562 12.846 -1.066 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.417 14.289 -1.098 1.00 0.00 H new ATOM 0 HG22 THR A 15 -2.505 12.832 -1.558 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.491 13.684 -2.770 1.00 0.00 H new ATOM 226 N GLU A 16 -3.341 9.785 -0.817 1.00 0.00 N ATOM 227 CA GLU A 16 -2.261 8.871 -0.540 1.00 0.00 C ATOM 228 C GLU A 16 -2.334 7.676 -1.475 1.00 0.00 C ATOM 229 O GLU A 16 -1.317 7.096 -1.797 1.00 0.00 O ATOM 230 CB GLU A 16 -2.274 8.444 0.926 1.00 0.00 C ATOM 231 CG GLU A 16 -1.925 9.590 1.855 1.00 0.00 C ATOM 232 CD GLU A 16 -1.819 9.183 3.308 1.00 0.00 C ATOM 233 OE1 GLU A 16 -2.859 9.118 3.990 1.00 0.00 O ATOM 234 OE2 GLU A 16 -0.683 8.965 3.789 1.00 0.00 O ATOM 0 H GLU A 16 -4.012 9.901 -0.058 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.314 9.379 -0.719 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.260 8.057 1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.564 7.630 1.073 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.978 10.027 1.539 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.683 10.368 1.759 1.00 0.00 H new ATOM 241 N LEU A 17 -3.531 7.353 -1.969 1.00 0.00 N ATOM 242 CA LEU A 17 -3.688 6.283 -2.925 1.00 0.00 C ATOM 243 C LEU A 17 -3.010 6.684 -4.234 1.00 0.00 C ATOM 244 O LEU A 17 -2.396 5.866 -4.917 1.00 0.00 O ATOM 245 CB LEU A 17 -5.173 5.974 -3.120 1.00 0.00 C ATOM 246 CG LEU A 17 -5.649 5.824 -4.555 1.00 0.00 C ATOM 247 CD1 LEU A 17 -5.198 4.497 -5.154 1.00 0.00 C ATOM 248 CD2 LEU A 17 -7.160 5.950 -4.630 1.00 0.00 C ATOM 0 H LEU A 17 -4.399 7.824 -1.715 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.213 5.373 -2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.403 5.052 -2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.752 6.769 -2.649 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.199 6.626 -5.140 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.555 4.421 -6.181 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.109 4.444 -5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.607 3.675 -4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.483 5.840 -5.665 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.621 5.172 -4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.462 6.929 -4.257 1.00 0.00 H new ATOM 260 N GLU A 18 -3.111 7.970 -4.549 1.00 0.00 N ATOM 261 CA GLU A 18 -2.417 8.557 -5.690 1.00 0.00 C ATOM 262 C GLU A 18 -0.902 8.443 -5.498 1.00 0.00 C ATOM 263 O GLU A 18 -0.139 8.473 -6.459 1.00 0.00 O ATOM 264 CB GLU A 18 -2.854 10.022 -5.861 1.00 0.00 C ATOM 265 CG GLU A 18 -2.125 10.794 -6.956 1.00 0.00 C ATOM 266 CD GLU A 18 -2.225 10.151 -8.328 1.00 0.00 C ATOM 267 OE1 GLU A 18 -3.349 9.840 -8.774 1.00 0.00 O ATOM 268 OE2 GLU A 18 -1.176 9.980 -8.980 1.00 0.00 O ATOM 0 H GLU A 18 -3.676 8.635 -4.021 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.679 8.015 -6.598 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.923 10.043 -6.074 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.707 10.541 -4.914 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.531 11.804 -7.008 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.074 10.887 -6.684 1.00 0.00 H new ATOM 275 N CYS A 19 -0.464 8.316 -4.251 1.00 0.00 N ATOM 276 CA CYS A 19 0.938 7.984 -3.978 1.00 0.00 C ATOM 277 C CYS A 19 1.156 6.468 -3.992 1.00 0.00 C ATOM 278 O CYS A 19 2.182 5.979 -4.463 1.00 0.00 O ATOM 279 CB CYS A 19 1.399 8.578 -2.646 1.00 0.00 C ATOM 280 SG CYS A 19 2.231 10.189 -2.816 1.00 0.00 S ATOM 0 H CYS A 19 -1.045 8.435 -3.421 1.00 0.00 H new ATOM 0 HA CYS A 19 1.540 8.425 -4.772 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.536 8.692 -1.990 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.078 7.877 -2.161 1.00 0.00 H new ATOM 285 N ILE A 20 0.164 5.734 -3.506 1.00 0.00 N ATOM 286 CA ILE A 20 0.218 4.267 -3.450 1.00 0.00 C ATOM 287 C ILE A 20 -0.057 3.653 -4.835 1.00 0.00 C ATOM 288 O ILE A 20 -0.101 2.437 -4.993 1.00 0.00 O ATOM 289 CB ILE A 20 -0.780 3.680 -2.409 1.00 0.00 C ATOM 290 CG1 ILE A 20 -0.691 4.430 -1.081 1.00 0.00 C ATOM 291 CG2 ILE A 20 -0.488 2.207 -2.164 1.00 0.00 C ATOM 292 CD1 ILE A 20 -1.736 4.004 -0.070 1.00 0.00 C ATOM 0 H ILE A 20 -0.701 6.131 -3.139 1.00 0.00 H new ATOM 0 HA ILE A 20 1.227 4.004 -3.133 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.785 3.793 -2.817 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.300 4.277 -0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.795 5.499 -1.270 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.195 1.813 -1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.587 1.656 -3.099 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.527 2.096 -1.783 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.611 4.579 0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.731 4.183 -0.478 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.619 2.943 0.149 1.00 0.00 H new ATOM 304 N ARG A 21 -0.286 4.513 -5.823 1.00 0.00 N ATOM 305 CA ARG A 21 -0.597 4.101 -7.205 1.00 0.00 C ATOM 306 C ARG A 21 0.409 3.130 -7.829 1.00 0.00 C ATOM 307 O ARG A 21 0.217 2.709 -8.969 1.00 0.00 O ATOM 308 CB ARG A 21 -0.740 5.324 -8.110 1.00 0.00 C ATOM 309 CG ARG A 21 0.550 6.108 -8.281 1.00 0.00 C ATOM 310 CD ARG A 21 0.375 7.266 -9.247 1.00 0.00 C ATOM 311 NE ARG A 21 0.147 6.816 -10.620 1.00 0.00 N ATOM 312 CZ ARG A 21 -0.268 7.621 -11.598 1.00 0.00 C ATOM 313 NH1 ARG A 21 -0.604 8.875 -11.328 1.00 0.00 N ATOM 314 NH2 ARG A 21 -0.377 7.166 -12.841 1.00 0.00 N ATOM 0 H ARG A 21 -0.263 5.525 -5.695 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.539 3.559 -7.128 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.092 5.001 -9.090 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.504 5.983 -7.698 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.877 6.487 -7.313 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.334 5.445 -8.645 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.465 7.881 -8.925 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.263 7.898 -9.217 1.00 0.00 H new ATOM 0 HE ARG A 21 0.314 5.834 -10.841 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.545 9.224 -10.371 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.921 9.490 -12.077 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.143 6.196 -13.051 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.695 7.787 -13.585 1.00 0.00 H new ATOM 328 N LEU A 22 1.466 2.791 -7.102 1.00 0.00 N ATOM 329 CA LEU A 22 2.456 1.838 -7.566 1.00 0.00 C ATOM 330 C LEU A 22 3.264 2.386 -8.740 1.00 0.00 C ATOM 331 O LEU A 22 3.847 1.643 -9.521 1.00 0.00 O ATOM 332 CB LEU A 22 1.761 0.532 -7.909 1.00 0.00 C ATOM 333 CG LEU A 22 1.902 -0.583 -6.869 1.00 0.00 C ATOM 334 CD1 LEU A 22 1.236 -0.197 -5.560 1.00 0.00 C ATOM 335 CD2 LEU A 22 1.312 -1.878 -7.399 1.00 0.00 C ATOM 0 H LEU A 22 1.658 3.171 -6.175 1.00 0.00 H new ATOM 0 HA LEU A 22 3.177 1.654 -6.770 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.700 0.734 -8.058 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.154 0.170 -8.859 1.00 0.00 H new ATOM 0 HG LEU A 22 2.964 -0.733 -6.677 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.352 -1.007 -4.840 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.702 0.707 -5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.175 -0.013 -5.732 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.420 -2.661 -6.648 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.255 -1.732 -7.622 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.837 -2.172 -8.308 1.00 0.00 H new ATOM 347 N ARG A 23 3.285 3.706 -8.851 1.00 0.00 N ATOM 348 CA ARG A 23 4.279 4.393 -9.665 1.00 0.00 C ATOM 349 C ARG A 23 5.381 4.812 -8.704 1.00 0.00 C ATOM 350 O ARG A 23 6.227 5.651 -8.991 1.00 0.00 O ATOM 351 CB ARG A 23 3.659 5.610 -10.369 1.00 0.00 C ATOM 352 CG ARG A 23 4.225 5.899 -11.759 1.00 0.00 C ATOM 353 CD ARG A 23 5.593 6.567 -11.711 1.00 0.00 C ATOM 354 NE ARG A 23 5.557 7.831 -10.973 1.00 0.00 N ATOM 355 CZ ARG A 23 6.638 8.506 -10.590 1.00 0.00 C ATOM 356 NH1 ARG A 23 7.850 8.085 -10.927 1.00 0.00 N ATOM 357 NH2 ARG A 23 6.507 9.606 -9.867 1.00 0.00 N ATOM 0 H ARG A 23 2.622 4.326 -8.386 1.00 0.00 H new ATOM 0 HA ARG A 23 4.668 3.750 -10.455 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.584 5.455 -10.454 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.805 6.489 -9.742 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.301 4.966 -12.317 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.531 6.540 -12.303 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.310 5.893 -11.242 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.944 6.749 -12.727 1.00 0.00 H new ATOM 0 HE ARG A 23 4.644 8.220 -10.737 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.959 7.238 -11.484 1.00 0.00 H new ATOM 0 HH12 ARG A 23 8.673 8.609 -10.629 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.578 9.936 -9.604 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.335 10.124 -9.573 1.00 0.00 H new ATOM 371 N ILE A 24 5.304 4.199 -7.531 1.00 0.00 N ATOM 372 CA ILE A 24 6.180 4.477 -6.408 1.00 0.00 C ATOM 373 C ILE A 24 7.661 4.301 -6.752 1.00 0.00 C ATOM 374 O ILE A 24 8.325 5.250 -7.168 1.00 0.00 O ATOM 375 CB ILE A 24 5.790 3.570 -5.219 1.00 0.00 C ATOM 376 CG1 ILE A 24 4.265 3.575 -5.044 1.00 0.00 C ATOM 377 CG2 ILE A 24 6.465 4.028 -3.946 1.00 0.00 C ATOM 378 CD1 ILE A 24 3.782 2.925 -3.764 1.00 0.00 C ATOM 0 H ILE A 24 4.612 3.477 -7.332 1.00 0.00 H new ATOM 0 HA ILE A 24 6.049 5.525 -6.139 1.00 0.00 H new ATOM 0 HB ILE A 24 6.125 2.555 -5.431 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.911 4.606 -5.070 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.812 3.061 -5.892 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.174 3.374 -3.124 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.547 3.991 -4.074 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.161 5.050 -3.721 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.694 2.972 -3.720 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.102 1.883 -3.742 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.202 3.452 -2.907 1.00 0.00 H new ATOM 390 N SER A 25 8.156 3.085 -6.578 1.00 0.00 N ATOM 391 CA SER A 25 9.564 2.752 -6.827 1.00 0.00 C ATOM 392 C SER A 25 9.908 1.329 -6.344 1.00 0.00 C ATOM 393 O SER A 25 10.425 0.525 -7.119 1.00 0.00 O ATOM 394 CB SER A 25 10.517 3.755 -6.163 1.00 0.00 C ATOM 395 OG SER A 25 11.872 3.457 -6.452 1.00 0.00 O ATOM 0 H SER A 25 7.597 2.294 -6.259 1.00 0.00 H new ATOM 0 HA SER A 25 9.700 2.802 -7.907 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.284 4.762 -6.508 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.364 3.744 -5.084 1.00 0.00 H new ATOM 0 HG SER A 25 12.452 4.115 -6.016 1.00 0.00 H new ATOM 401 N PRO A 26 9.616 0.999 -5.058 1.00 0.00 N ATOM 402 CA PRO A 26 10.060 -0.249 -4.406 1.00 0.00 C ATOM 403 C PRO A 26 9.442 -1.519 -4.987 1.00 0.00 C ATOM 404 O PRO A 26 8.873 -1.516 -6.079 1.00 0.00 O ATOM 405 CB PRO A 26 9.577 -0.061 -2.952 1.00 0.00 C ATOM 406 CG PRO A 26 9.406 1.395 -2.807 1.00 0.00 C ATOM 407 CD PRO A 26 8.840 1.814 -4.116 1.00 0.00 C ATOM 0 HA PRO A 26 11.133 -0.392 -4.532 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.641 -0.591 -2.773 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.304 -0.448 -2.239 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.735 1.640 -1.984 1.00 0.00 H new ATOM 0 HG3 PRO A 26 10.355 1.892 -2.603 1.00 0.00 H new ATOM 0 HD2 PRO A 26 7.772 1.609 -4.183 1.00 0.00 H new ATOM 0 HD3 PRO A 26 8.972 2.881 -4.295 1.00 0.00 H new ATOM 415 N GLU A 27 9.538 -2.606 -4.222 1.00 0.00 N ATOM 416 CA GLU A 27 8.870 -3.864 -4.562 1.00 0.00 C ATOM 417 C GLU A 27 7.362 -3.698 -4.472 1.00 0.00 C ATOM 418 O GLU A 27 6.609 -4.649 -4.659 1.00 0.00 O ATOM 419 CB GLU A 27 9.341 -5.004 -3.659 1.00 0.00 C ATOM 420 CG GLU A 27 10.853 -5.071 -3.569 1.00 0.00 C ATOM 421 CD GLU A 27 11.373 -6.372 -3.000 1.00 0.00 C ATOM 422 OE1 GLU A 27 11.541 -6.462 -1.770 1.00 0.00 O ATOM 423 OE2 GLU A 27 11.642 -7.301 -3.788 1.00 0.00 O ATOM 0 H GLU A 27 10.076 -2.641 -3.356 1.00 0.00 H new ATOM 0 HA GLU A 27 9.135 -4.123 -5.587 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.924 -4.871 -2.661 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.958 -5.951 -4.041 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.274 -4.926 -4.564 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.208 -4.247 -2.950 1.00 0.00 H new ATOM 430 N THR A 28 6.960 -2.477 -4.125 1.00 0.00 N ATOM 431 CA THR A 28 5.573 -2.052 -4.067 1.00 0.00 C ATOM 432 C THR A 28 4.692 -2.745 -5.105 1.00 0.00 C ATOM 433 O THR A 28 3.625 -3.253 -4.765 1.00 0.00 O ATOM 434 CB THR A 28 5.495 -0.523 -4.288 1.00 0.00 C ATOM 435 OG1 THR A 28 4.141 -0.079 -4.284 1.00 0.00 O ATOM 436 CG2 THR A 28 6.137 -0.124 -5.601 1.00 0.00 C ATOM 0 H THR A 28 7.615 -1.738 -3.870 1.00 0.00 H new ATOM 0 HA THR A 28 5.198 -2.329 -3.082 1.00 0.00 H new ATOM 0 HB THR A 28 6.037 -0.052 -3.468 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.659 -0.506 -3.546 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.066 0.956 -5.727 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.186 -0.421 -5.598 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.622 -0.620 -6.424 1.00 0.00 H new ATOM 444 N ASN A 29 5.143 -2.797 -6.349 1.00 0.00 N ATOM 445 CA ASN A 29 4.333 -3.356 -7.410 1.00 0.00 C ATOM 446 C ASN A 29 4.162 -4.848 -7.207 1.00 0.00 C ATOM 447 O ASN A 29 3.054 -5.313 -6.997 1.00 0.00 O ATOM 448 CB ASN A 29 4.935 -3.067 -8.787 1.00 0.00 C ATOM 449 CG ASN A 29 4.660 -1.656 -9.285 1.00 0.00 C ATOM 450 OD1 ASN A 29 4.501 -1.440 -10.486 1.00 0.00 O ATOM 451 ND2 ASN A 29 4.629 -0.679 -8.388 1.00 0.00 N ATOM 0 H ASN A 29 6.060 -2.460 -6.643 1.00 0.00 H new ATOM 0 HA ASN A 29 3.354 -2.879 -7.372 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.013 -3.225 -8.744 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.536 -3.782 -9.507 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.470 0.283 -8.687 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.764 -0.890 -7.399 1.00 0.00 H new ATOM 458 N ALA A 30 5.264 -5.583 -7.214 1.00 0.00 N ATOM 459 CA ALA A 30 5.214 -7.031 -7.061 1.00 0.00 C ATOM 460 C ALA A 30 4.519 -7.415 -5.756 1.00 0.00 C ATOM 461 O ALA A 30 3.553 -8.193 -5.742 1.00 0.00 O ATOM 462 CB ALA A 30 6.624 -7.598 -7.092 1.00 0.00 C ATOM 0 H ALA A 30 6.204 -5.202 -7.324 1.00 0.00 H new ATOM 0 HA ALA A 30 4.639 -7.450 -7.887 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.583 -8.681 -6.977 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.095 -7.351 -8.044 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.207 -7.169 -6.277 1.00 0.00 H new ATOM 468 N ALA A 31 4.994 -6.818 -4.673 1.00 0.00 N ATOM 469 CA ALA A 31 4.544 -7.159 -3.339 1.00 0.00 C ATOM 470 C ALA A 31 3.066 -6.845 -3.134 1.00 0.00 C ATOM 471 O ALA A 31 2.270 -7.757 -2.934 1.00 0.00 O ATOM 472 CB ALA A 31 5.394 -6.441 -2.306 1.00 0.00 C ATOM 0 H ALA A 31 5.702 -6.084 -4.698 1.00 0.00 H new ATOM 0 HA ALA A 31 4.660 -8.236 -3.214 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.049 -6.703 -1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.436 -6.740 -2.421 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.308 -5.364 -2.449 1.00 0.00 H new ATOM 478 N PHE A 32 2.696 -5.564 -3.171 1.00 0.00 N ATOM 479 CA PHE A 32 1.307 -5.171 -2.923 1.00 0.00 C ATOM 480 C PHE A 32 0.352 -5.757 -3.950 1.00 0.00 C ATOM 481 O PHE A 32 -0.786 -6.026 -3.631 1.00 0.00 O ATOM 482 CB PHE A 32 1.145 -3.659 -2.925 1.00 0.00 C ATOM 483 CG PHE A 32 2.139 -3.019 -2.047 1.00 0.00 C ATOM 484 CD1 PHE A 32 2.634 -3.710 -0.966 1.00 0.00 C ATOM 485 CD2 PHE A 32 2.645 -1.777 -2.338 1.00 0.00 C ATOM 486 CE1 PHE A 32 3.609 -3.173 -0.190 1.00 0.00 C ATOM 487 CE2 PHE A 32 3.641 -1.245 -1.570 1.00 0.00 C ATOM 488 CZ PHE A 32 4.119 -1.950 -0.495 1.00 0.00 C ATOM 0 H PHE A 32 3.329 -4.789 -3.368 1.00 0.00 H new ATOM 0 HA PHE A 32 1.059 -5.567 -1.938 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.255 -3.280 -3.941 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.140 -3.397 -2.594 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.243 -4.689 -0.732 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.255 -1.219 -3.176 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.979 -3.715 0.667 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.050 -0.274 -1.808 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.906 -1.531 0.114 1.00 0.00 H new ATOM 498 N ASP A 33 0.802 -5.954 -5.179 1.00 0.00 N ATOM 499 CA ASP A 33 -0.087 -6.453 -6.214 1.00 0.00 C ATOM 500 C ASP A 33 -0.536 -7.840 -5.825 1.00 0.00 C ATOM 501 O ASP A 33 -1.718 -8.143 -5.847 1.00 0.00 O ATOM 502 CB ASP A 33 0.599 -6.465 -7.580 1.00 0.00 C ATOM 503 CG ASP A 33 -0.353 -6.779 -8.718 1.00 0.00 C ATOM 504 OD1 ASP A 33 -1.536 -6.386 -8.641 1.00 0.00 O ATOM 505 OD2 ASP A 33 0.085 -7.404 -9.707 1.00 0.00 O ATOM 0 H ASP A 33 1.761 -5.779 -5.480 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.950 -5.793 -6.301 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.061 -5.494 -7.757 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.402 -7.202 -7.571 1.00 0.00 H new ATOM 510 N ASN A 34 0.426 -8.653 -5.403 1.00 0.00 N ATOM 511 CA ASN A 34 0.142 -9.976 -4.862 1.00 0.00 C ATOM 512 C ASN A 34 -0.551 -9.865 -3.494 1.00 0.00 C ATOM 513 O ASN A 34 -1.433 -10.655 -3.151 1.00 0.00 O ATOM 514 CB ASN A 34 1.453 -10.745 -4.736 1.00 0.00 C ATOM 515 CG ASN A 34 1.294 -12.144 -4.187 1.00 0.00 C ATOM 516 OD1 ASN A 34 0.270 -12.798 -4.376 1.00 0.00 O ATOM 517 ND2 ASN A 34 2.325 -12.610 -3.501 1.00 0.00 N ATOM 0 H ASN A 34 1.418 -8.416 -5.426 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.532 -10.507 -5.533 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.925 -10.802 -5.717 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.129 -10.186 -4.089 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.291 -13.549 -3.103 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.154 -12.031 -3.370 1.00 0.00 H new ATOM 524 N ALA A 35 -0.155 -8.863 -2.719 1.00 0.00 N ATOM 525 CA ALA A 35 -0.710 -8.649 -1.385 1.00 0.00 C ATOM 526 C ALA A 35 -2.184 -8.288 -1.442 1.00 0.00 C ATOM 527 O ALA A 35 -3.034 -8.995 -0.911 1.00 0.00 O ATOM 528 CB ALA A 35 0.053 -7.553 -0.667 1.00 0.00 C ATOM 0 H ALA A 35 0.553 -8.181 -2.992 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.609 -9.585 -0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.372 -7.404 0.326 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.101 -7.840 -0.574 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.021 -6.626 -1.236 1.00 0.00 H new ATOM 534 N VAL A 36 -2.464 -7.183 -2.098 1.00 0.00 N ATOM 535 CA VAL A 36 -3.807 -6.661 -2.250 1.00 0.00 C ATOM 536 C VAL A 36 -4.621 -7.589 -3.132 1.00 0.00 C ATOM 537 O VAL A 36 -5.848 -7.551 -3.133 1.00 0.00 O ATOM 538 CB VAL A 36 -3.731 -5.248 -2.852 1.00 0.00 C ATOM 539 CG1 VAL A 36 -5.078 -4.560 -2.801 1.00 0.00 C ATOM 540 CG2 VAL A 36 -2.667 -4.426 -2.127 1.00 0.00 C ATOM 0 H VAL A 36 -1.751 -6.610 -2.550 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.299 -6.602 -1.279 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.448 -5.334 -3.901 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.994 -3.563 -3.233 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.805 -5.141 -3.368 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.406 -4.480 -1.765 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.621 -3.427 -2.561 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.923 -4.351 -1.070 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.697 -4.912 -2.232 1.00 0.00 H new ATOM 550 N GLN A 37 -3.916 -8.418 -3.880 1.00 0.00 N ATOM 551 CA GLN A 37 -4.511 -9.559 -4.547 1.00 0.00 C ATOM 552 C GLN A 37 -5.161 -10.498 -3.524 1.00 0.00 C ATOM 553 O GLN A 37 -6.306 -10.916 -3.699 1.00 0.00 O ATOM 554 CB GLN A 37 -3.417 -10.266 -5.339 1.00 0.00 C ATOM 555 CG GLN A 37 -3.771 -11.642 -5.863 1.00 0.00 C ATOM 556 CD GLN A 37 -2.616 -12.256 -6.625 1.00 0.00 C ATOM 557 OE1 GLN A 37 -2.482 -13.478 -6.698 1.00 0.00 O ATOM 558 NE2 GLN A 37 -1.761 -11.410 -7.183 1.00 0.00 N ATOM 0 H GLN A 37 -2.914 -8.318 -4.042 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.299 -9.236 -5.227 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -3.141 -9.636 -6.184 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.535 -10.355 -4.705 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.046 -12.290 -5.031 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.642 -11.572 -6.514 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.910 -10.404 -7.098 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.955 -11.765 -7.697 1.00 0.00 H new ATOM 567 N GLN A 38 -4.429 -10.810 -2.451 1.00 0.00 N ATOM 568 CA GLN A 38 -4.972 -11.618 -1.351 1.00 0.00 C ATOM 569 C GLN A 38 -6.163 -10.936 -0.705 1.00 0.00 C ATOM 570 O GLN A 38 -7.281 -11.450 -0.736 1.00 0.00 O ATOM 571 CB GLN A 38 -3.946 -11.827 -0.248 1.00 0.00 C ATOM 572 CG GLN A 38 -2.648 -12.430 -0.680 1.00 0.00 C ATOM 573 CD GLN A 38 -1.589 -12.037 0.300 1.00 0.00 C ATOM 574 OE1 GLN A 38 -0.727 -12.835 0.641 1.00 0.00 O ATOM 575 NE2 GLN A 38 -1.646 -10.759 0.733 1.00 0.00 N ATOM 0 H GLN A 38 -3.461 -10.517 -2.319 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.258 -12.571 -1.796 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.741 -10.864 0.220 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.386 -12.466 0.517 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.733 -13.516 -0.730 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.385 -12.085 -1.680 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.392 -10.144 0.410 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.943 -10.409 1.383 1.00 0.00 H new ATOM 584 N LEU A 39 -5.893 -9.773 -0.104 1.00 0.00 N ATOM 585 CA LEU A 39 -6.903 -9.016 0.637 1.00 0.00 C ATOM 586 C LEU A 39 -8.067 -8.692 -0.268 1.00 0.00 C ATOM 587 O LEU A 39 -9.200 -8.511 0.174 1.00 0.00 O ATOM 588 CB LEU A 39 -6.332 -7.700 1.176 1.00 0.00 C ATOM 589 CG LEU A 39 -4.846 -7.454 0.922 1.00 0.00 C ATOM 590 CD1 LEU A 39 -4.518 -5.999 1.177 1.00 0.00 C ATOM 591 CD2 LEU A 39 -3.977 -8.334 1.811 1.00 0.00 C ATOM 0 H LEU A 39 -4.973 -9.333 -0.118 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.227 -9.634 1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.895 -6.877 0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.506 -7.667 2.252 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.636 -7.706 -0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.457 -5.828 0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.107 -5.371 0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.753 -5.749 2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.926 -8.134 1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.189 -8.116 2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.193 -9.383 1.608 1.00 0.00 H new ATOM 603 N ASN A 40 -7.731 -8.606 -1.548 1.00 0.00 N ATOM 604 CA ASN A 40 -8.692 -8.396 -2.612 1.00 0.00 C ATOM 605 C ASN A 40 -9.355 -7.041 -2.466 1.00 0.00 C ATOM 606 O ASN A 40 -10.529 -6.844 -2.774 1.00 0.00 O ATOM 607 CB ASN A 40 -9.692 -9.539 -2.613 1.00 0.00 C ATOM 608 CG ASN A 40 -10.373 -9.734 -3.952 1.00 0.00 C ATOM 609 OD1 ASN A 40 -11.473 -9.240 -4.189 1.00 0.00 O ATOM 610 ND2 ASN A 40 -9.711 -10.450 -4.845 1.00 0.00 N ATOM 0 H ASN A 40 -6.768 -8.682 -1.877 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.188 -8.392 -3.579 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.181 -10.461 -2.335 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -10.449 -9.352 -1.851 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.111 -10.609 -5.770 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.800 -10.843 -4.609 1.00 0.00 H new ATOM 617 N CYS A 41 -8.557 -6.097 -1.994 1.00 0.00 N ATOM 618 CA CYS A 41 -8.975 -4.713 -1.886 1.00 0.00 C ATOM 619 C CYS A 41 -8.987 -4.055 -3.260 1.00 0.00 C ATOM 620 O CYS A 41 -9.473 -2.932 -3.412 1.00 0.00 O ATOM 621 CB CYS A 41 -8.022 -3.964 -0.959 1.00 0.00 C ATOM 622 SG CYS A 41 -8.337 -4.212 0.820 1.00 0.00 S ATOM 0 H CYS A 41 -7.603 -6.270 -1.676 1.00 0.00 H new ATOM 0 HA CYS A 41 -9.984 -4.677 -1.475 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.001 -4.276 -1.180 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.084 -2.898 -1.180 1.00 0.00 H new ATOM 627 N LEU A 42 -8.431 -4.774 -4.244 1.00 0.00 N ATOM 628 CA LEU A 42 -8.317 -4.308 -5.629 1.00 0.00 C ATOM 629 C LEU A 42 -7.335 -3.149 -5.741 1.00 0.00 C ATOM 630 O LEU A 42 -6.338 -3.235 -6.456 1.00 0.00 O ATOM 631 CB LEU A 42 -9.685 -3.920 -6.196 1.00 0.00 C ATOM 632 CG LEU A 42 -10.690 -5.072 -6.272 1.00 0.00 C ATOM 633 CD1 LEU A 42 -12.000 -4.598 -6.872 1.00 0.00 C ATOM 634 CD2 LEU A 42 -10.120 -6.224 -7.084 1.00 0.00 C ATOM 0 H LEU A 42 -8.044 -5.706 -4.097 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.929 -5.135 -6.224 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.108 -3.126 -5.580 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.547 -3.509 -7.196 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.883 -5.426 -5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.702 -5.431 -6.918 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -12.418 -3.805 -6.252 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -11.823 -4.217 -7.878 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.848 -7.034 -7.127 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.897 -5.882 -8.095 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.205 -6.583 -6.613 1.00 0.00 H new ATOM 646 N ASN A 43 -7.604 -2.075 -5.019 1.00 0.00 N ATOM 647 CA ASN A 43 -6.686 -0.957 -4.975 1.00 0.00 C ATOM 648 C ASN A 43 -5.889 -1.028 -3.684 1.00 0.00 C ATOM 649 O ASN A 43 -6.314 -1.658 -2.710 1.00 0.00 O ATOM 650 CB ASN A 43 -7.427 0.386 -5.118 1.00 0.00 C ATOM 651 CG ASN A 43 -7.954 0.992 -3.818 1.00 0.00 C ATOM 652 OD1 ASN A 43 -8.023 2.209 -3.694 1.00 0.00 O ATOM 653 ND2 ASN A 43 -8.312 0.176 -2.837 1.00 0.00 N ATOM 0 H ASN A 43 -8.448 -1.956 -4.458 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.000 -1.018 -5.820 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.753 1.104 -5.585 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.266 0.246 -5.799 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.654 0.558 -1.955 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.246 -0.834 -2.964 1.00 0.00 H new ATOM 660 N ARG A 44 -4.737 -0.398 -3.677 1.00 0.00 N ATOM 661 CA ARG A 44 -3.813 -0.537 -2.565 1.00 0.00 C ATOM 662 C ARG A 44 -4.158 0.401 -1.409 1.00 0.00 C ATOM 663 O ARG A 44 -3.540 0.329 -0.348 1.00 0.00 O ATOM 664 CB ARG A 44 -2.382 -0.302 -3.036 1.00 0.00 C ATOM 665 CG ARG A 44 -1.740 -1.505 -3.724 1.00 0.00 C ATOM 666 CD ARG A 44 -2.405 -1.852 -5.049 1.00 0.00 C ATOM 667 NE ARG A 44 -2.164 -0.839 -6.076 1.00 0.00 N ATOM 668 CZ ARG A 44 -2.225 -1.082 -7.389 1.00 0.00 C ATOM 669 NH1 ARG A 44 -2.520 -2.299 -7.834 1.00 0.00 N ATOM 670 NH2 ARG A 44 -1.979 -0.110 -8.258 1.00 0.00 N ATOM 0 H ARG A 44 -4.414 0.216 -4.425 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.903 -1.556 -2.190 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.373 0.543 -3.725 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.771 -0.021 -2.178 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.684 -1.298 -3.896 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.792 -2.368 -3.060 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.033 -2.815 -5.398 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.479 -1.962 -4.896 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.936 0.108 -5.773 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.701 -3.054 -7.172 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.565 -2.478 -8.837 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.743 0.825 -7.924 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.026 -0.297 -9.260 1.00 0.00 H new ATOM 684 N ALA A 45 -5.148 1.266 -1.609 1.00 0.00 N ATOM 685 CA ALA A 45 -5.600 2.160 -0.550 1.00 0.00 C ATOM 686 C ALA A 45 -6.286 1.365 0.553 1.00 0.00 C ATOM 687 O ALA A 45 -5.974 1.523 1.727 1.00 0.00 O ATOM 688 CB ALA A 45 -6.532 3.224 -1.109 1.00 0.00 C ATOM 0 H ALA A 45 -5.650 1.366 -2.491 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.732 2.662 -0.124 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.859 3.881 -0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.006 3.809 -1.864 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.401 2.746 -1.561 1.00 0.00 H new ATOM 694 N CYS A 46 -7.209 0.492 0.159 1.00 0.00 N ATOM 695 CA CYS A 46 -7.890 -0.391 1.104 1.00 0.00 C ATOM 696 C CYS A 46 -6.880 -1.277 1.818 1.00 0.00 C ATOM 697 O CYS A 46 -6.992 -1.534 3.019 1.00 0.00 O ATOM 698 CB CYS A 46 -8.921 -1.251 0.368 1.00 0.00 C ATOM 699 SG CYS A 46 -9.566 -2.669 1.322 1.00 0.00 S ATOM 0 H CYS A 46 -7.504 0.376 -0.811 1.00 0.00 H new ATOM 0 HA CYS A 46 -8.405 0.218 1.847 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -9.759 -0.617 0.077 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -8.470 -1.626 -0.551 1.00 0.00 H new ATOM 704 N ALA A 47 -5.895 -1.743 1.063 1.00 0.00 N ATOM 705 CA ALA A 47 -4.808 -2.540 1.618 1.00 0.00 C ATOM 706 C ALA A 47 -4.124 -1.827 2.785 1.00 0.00 C ATOM 707 O ALA A 47 -4.111 -2.332 3.912 1.00 0.00 O ATOM 708 CB ALA A 47 -3.800 -2.847 0.533 1.00 0.00 C ATOM 0 H ALA A 47 -5.826 -1.582 0.058 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.230 -3.469 2.002 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.988 -3.443 0.949 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.286 -3.405 -0.268 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.399 -1.915 0.135 1.00 0.00 H new ATOM 714 N TYR A 48 -3.562 -0.653 2.510 1.00 0.00 N ATOM 715 CA TYR A 48 -2.890 0.141 3.537 1.00 0.00 C ATOM 716 C TYR A 48 -3.874 0.605 4.610 1.00 0.00 C ATOM 717 O TYR A 48 -3.485 0.862 5.746 1.00 0.00 O ATOM 718 CB TYR A 48 -2.186 1.354 2.917 1.00 0.00 C ATOM 719 CG TYR A 48 -0.770 1.090 2.440 1.00 0.00 C ATOM 720 CD1 TYR A 48 -0.514 0.621 1.155 1.00 0.00 C ATOM 721 CD2 TYR A 48 0.317 1.329 3.276 1.00 0.00 C ATOM 722 CE1 TYR A 48 0.783 0.400 0.722 1.00 0.00 C ATOM 723 CE2 TYR A 48 1.614 1.105 2.847 1.00 0.00 C ATOM 724 CZ TYR A 48 1.838 0.643 1.574 1.00 0.00 C ATOM 725 OH TYR A 48 3.127 0.434 1.148 1.00 0.00 O ATOM 0 H TYR A 48 -3.558 -0.229 1.582 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.142 -0.499 4.006 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.779 1.709 2.074 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.163 2.159 3.652 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.339 0.426 0.485 1.00 0.00 H new ATOM 0 HD2 TYR A 48 0.145 1.696 4.277 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.966 0.039 -0.279 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.445 1.293 3.510 1.00 0.00 H new ATOM 0 HH TYR A 48 3.144 -0.307 0.507 1.00 0.00 H new ATOM 735 N ARG A 49 -5.145 0.708 4.243 1.00 0.00 N ATOM 736 CA ARG A 49 -6.189 1.093 5.186 1.00 0.00 C ATOM 737 C ARG A 49 -6.392 0.005 6.235 1.00 0.00 C ATOM 738 O ARG A 49 -6.645 0.285 7.404 1.00 0.00 O ATOM 739 CB ARG A 49 -7.502 1.357 4.446 1.00 0.00 C ATOM 740 CG ARG A 49 -8.624 1.843 5.344 1.00 0.00 C ATOM 741 CD ARG A 49 -9.911 2.047 4.564 1.00 0.00 C ATOM 742 NE ARG A 49 -10.984 2.564 5.408 1.00 0.00 N ATOM 743 CZ ARG A 49 -12.153 2.996 4.937 1.00 0.00 C ATOM 744 NH1 ARG A 49 -12.404 2.955 3.633 1.00 0.00 N ATOM 745 NH2 ARG A 49 -13.074 3.463 5.768 1.00 0.00 N ATOM 0 H ARG A 49 -5.479 0.530 3.296 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.876 2.008 5.689 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.326 2.098 3.666 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.819 0.440 3.949 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.792 1.120 6.142 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.332 2.780 5.818 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.731 2.739 3.741 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.221 1.100 4.122 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.830 2.596 6.416 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.701 2.592 2.989 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.300 3.286 3.275 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.889 3.492 6.771 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.968 3.793 5.405 1.00 0.00 H new ATOM 759 N LYS A 50 -6.260 -1.245 5.832 1.00 0.00 N ATOM 760 CA LYS A 50 -6.423 -2.326 6.769 1.00 0.00 C ATOM 761 C LYS A 50 -5.123 -2.497 7.533 1.00 0.00 C ATOM 762 O LYS A 50 -5.118 -2.920 8.684 1.00 0.00 O ATOM 763 CB LYS A 50 -6.834 -3.608 6.052 1.00 0.00 C ATOM 764 CG LYS A 50 -7.514 -4.618 6.963 1.00 0.00 C ATOM 765 CD LYS A 50 -8.803 -4.065 7.552 1.00 0.00 C ATOM 766 CE LYS A 50 -9.515 -5.107 8.399 1.00 0.00 C ATOM 767 NZ LYS A 50 -10.773 -4.583 8.995 1.00 0.00 N ATOM 0 H LYS A 50 -6.044 -1.528 4.876 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.222 -2.095 7.473 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.508 -3.357 5.233 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.950 -4.067 5.609 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.731 -5.527 6.401 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.835 -4.896 7.769 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.580 -3.189 8.161 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.461 -3.736 6.748 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.741 -5.979 7.785 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.850 -5.442 9.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.224 -5.328 9.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.556 -3.767 9.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.420 -4.287 8.236 1.00 0.00 H new ATOM 781 N MET A 51 -4.018 -2.148 6.873 1.00 0.00 N ATOM 782 CA MET A 51 -2.716 -2.055 7.534 1.00 0.00 C ATOM 783 C MET A 51 -2.726 -0.997 8.639 1.00 0.00 C ATOM 784 O MET A 51 -2.184 -1.220 9.719 1.00 0.00 O ATOM 785 CB MET A 51 -1.617 -1.712 6.529 1.00 0.00 C ATOM 786 CG MET A 51 -0.228 -1.676 7.148 1.00 0.00 C ATOM 787 SD MET A 51 1.047 -1.160 5.982 1.00 0.00 S ATOM 788 CE MET A 51 2.520 -1.414 6.969 1.00 0.00 C ATOM 0 H MET A 51 -3.999 -1.924 5.878 1.00 0.00 H new ATOM 0 HA MET A 51 -2.513 -3.030 7.977 1.00 0.00 H new ATOM 0 HB2 MET A 51 -1.629 -2.445 5.723 1.00 0.00 H new ATOM 0 HB3 MET A 51 -1.833 -0.742 6.081 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.232 -0.995 7.999 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.018 -2.665 7.533 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.400 -1.139 6.387 1.00 0.00 H new ATOM 0 HE2 MET A 51 2.469 -0.795 7.865 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.589 -2.463 7.257 1.00 0.00 H new ATOM 798 N CYS A 52 -3.323 0.162 8.361 1.00 0.00 N ATOM 799 CA CYS A 52 -3.378 1.237 9.351 1.00 0.00 C ATOM 800 C CYS A 52 -4.326 0.848 10.480 1.00 0.00 C ATOM 801 O CYS A 52 -4.157 1.274 11.625 1.00 0.00 O ATOM 802 CB CYS A 52 -3.809 2.568 8.716 1.00 0.00 C ATOM 803 SG CYS A 52 -5.602 2.734 8.431 1.00 0.00 S ATOM 0 H CYS A 52 -3.770 0.379 7.470 1.00 0.00 H new ATOM 0 HA CYS A 52 -2.376 1.381 9.756 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -3.480 3.384 9.359 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.292 2.684 7.764 1.00 0.00 H new ATOM 808 N ALA A 53 -5.332 0.047 10.139 1.00 0.00 N ATOM 809 CA ALA A 53 -6.199 -0.564 11.134 1.00 0.00 C ATOM 810 C ALA A 53 -5.397 -1.531 11.995 1.00 0.00 C ATOM 811 O ALA A 53 -5.490 -1.513 13.223 1.00 0.00 O ATOM 812 CB ALA A 53 -7.359 -1.285 10.458 1.00 0.00 C ATOM 0 H ALA A 53 -5.565 -0.193 9.175 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.610 0.218 11.773 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.998 -1.737 11.217 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.939 -0.572 9.872 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.970 -2.063 9.801 1.00 0.00 H new ATOM 818 N THR A 54 -4.600 -2.366 11.337 1.00 0.00 N ATOM 819 CA THR A 54 -3.713 -3.291 12.025 1.00 0.00 C ATOM 820 C THR A 54 -2.778 -3.991 11.031 1.00 0.00 C ATOM 821 O THR A 54 -1.561 -4.006 11.229 1.00 0.00 O ATOM 822 CB THR A 54 -4.503 -4.336 12.860 1.00 0.00 C ATOM 823 OG1 THR A 54 -3.600 -5.252 13.493 1.00 0.00 O ATOM 824 CG2 THR A 54 -5.502 -5.109 12.006 1.00 0.00 C ATOM 0 H THR A 54 -4.552 -2.419 10.320 1.00 0.00 H new ATOM 0 HA THR A 54 -3.109 -2.705 12.718 1.00 0.00 H new ATOM 0 HB THR A 54 -5.062 -3.789 13.619 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.280 -5.903 12.835 1.00 0.00 H new ATOM 0 HG21 THR A 54 -6.033 -5.829 12.629 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.217 -4.415 11.564 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.971 -5.637 11.213 1.00 0.00 H new ATOM 832 N ASN A 55 -3.353 -4.527 9.947 1.00 0.00 N ATOM 833 CA ASN A 55 -2.621 -5.299 8.950 1.00 0.00 C ATOM 834 C ASN A 55 -3.603 -5.953 7.993 1.00 0.00 C ATOM 835 O ASN A 55 -4.808 -5.963 8.253 1.00 0.00 O ATOM 836 CB ASN A 55 -1.757 -6.383 9.599 1.00 0.00 C ATOM 837 CG ASN A 55 -2.561 -7.360 10.450 1.00 0.00 C ATOM 838 OD1 ASN A 55 -2.775 -7.133 11.641 1.00 0.00 O ATOM 839 ND2 ASN A 55 -2.998 -8.460 9.856 1.00 0.00 N ATOM 0 H ASN A 55 -4.348 -4.433 9.741 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.965 -4.614 8.413 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.232 -6.936 8.820 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -0.997 -5.910 10.221 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.529 -9.150 10.387 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.803 -8.617 8.867 1.00 0.00 H new ATOM 846 N ASN A 56 -3.078 -6.511 6.907 1.00 0.00 N ATOM 847 CA ASN A 56 -3.889 -7.140 5.873 1.00 0.00 C ATOM 848 C ASN A 56 -2.987 -7.529 4.722 1.00 0.00 C ATOM 849 O ASN A 56 -2.722 -8.706 4.483 1.00 0.00 O ATOM 850 CB ASN A 56 -4.984 -6.192 5.370 1.00 0.00 C ATOM 851 CG ASN A 56 -6.010 -6.877 4.488 1.00 0.00 C ATOM 852 OD1 ASN A 56 -6.160 -8.098 4.515 1.00 0.00 O ATOM 853 ND2 ASN A 56 -6.754 -6.086 3.726 1.00 0.00 N ATOM 0 H ASN A 56 -2.076 -6.539 6.720 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.376 -8.020 6.294 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.490 -5.746 6.226 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.522 -5.377 4.813 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.482 -6.486 3.134 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.598 -5.078 3.732 1.00 0.00 H new ATOM 860 N LEU A 57 -2.474 -6.506 4.045 1.00 0.00 N ATOM 861 CA LEU A 57 -1.584 -6.679 2.898 1.00 0.00 C ATOM 862 C LEU A 57 -0.329 -7.450 3.252 1.00 0.00 C ATOM 863 O LEU A 57 0.305 -8.040 2.379 1.00 0.00 O ATOM 864 CB LEU A 57 -1.193 -5.324 2.294 1.00 0.00 C ATOM 865 CG LEU A 57 -1.335 -4.089 3.204 1.00 0.00 C ATOM 866 CD1 LEU A 57 -0.576 -4.258 4.511 1.00 0.00 C ATOM 867 CD2 LEU A 57 -0.836 -2.850 2.479 1.00 0.00 C ATOM 0 H LEU A 57 -2.663 -5.531 4.276 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.143 -7.259 2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.156 -5.386 1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.801 -5.161 1.404 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.392 -3.977 3.444 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.702 -3.365 5.123 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.964 -5.124 5.048 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.483 -4.407 4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.940 -1.981 3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.213 -2.981 2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.423 -2.697 1.573 1.00 0.00 H new ATOM 879 N GLU A 58 -0.017 -7.488 4.541 1.00 0.00 N ATOM 880 CA GLU A 58 1.259 -8.009 5.019 1.00 0.00 C ATOM 881 C GLU A 58 1.486 -9.426 4.528 1.00 0.00 C ATOM 882 O GLU A 58 2.612 -9.843 4.340 1.00 0.00 O ATOM 883 CB GLU A 58 1.325 -7.979 6.549 1.00 0.00 C ATOM 884 CG GLU A 58 0.241 -8.804 7.223 1.00 0.00 C ATOM 885 CD GLU A 58 0.566 -9.110 8.673 1.00 0.00 C ATOM 886 OE1 GLU A 58 0.642 -8.169 9.483 1.00 0.00 O ATOM 887 OE2 GLU A 58 0.746 -10.300 9.007 1.00 0.00 O ATOM 0 H GLU A 58 -0.637 -7.161 5.282 1.00 0.00 H new ATOM 0 HA GLU A 58 2.044 -7.367 4.619 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.300 -8.346 6.869 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.246 -6.946 6.887 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.706 -8.267 7.171 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.108 -9.739 6.678 1.00 0.00 H new ATOM 894 N GLN A 59 0.401 -10.143 4.300 1.00 0.00 N ATOM 895 CA GLN A 59 0.467 -11.521 3.848 1.00 0.00 C ATOM 896 C GLN A 59 1.502 -11.718 2.715 1.00 0.00 C ATOM 897 O GLN A 59 2.613 -12.218 2.946 1.00 0.00 O ATOM 898 CB GLN A 59 -0.931 -11.934 3.420 1.00 0.00 C ATOM 899 CG GLN A 59 -1.894 -12.108 4.583 1.00 0.00 C ATOM 900 CD GLN A 59 -3.321 -12.363 4.138 1.00 0.00 C ATOM 901 OE1 GLN A 59 -4.086 -13.037 4.823 1.00 0.00 O ATOM 902 NE2 GLN A 59 -3.699 -11.807 2.998 1.00 0.00 N ATOM 0 H GLN A 59 -0.548 -9.788 4.422 1.00 0.00 H new ATOM 0 HA GLN A 59 0.811 -12.159 4.662 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.330 -11.184 2.737 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.871 -12.870 2.865 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.559 -12.939 5.204 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.868 -11.214 5.206 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.036 -11.254 2.456 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.654 -11.932 2.662 1.00 0.00 H new ATOM 911 N ALA A 60 1.206 -11.195 1.536 1.00 0.00 N ATOM 912 CA ALA A 60 2.043 -11.446 0.369 1.00 0.00 C ATOM 913 C ALA A 60 3.151 -10.441 0.274 1.00 0.00 C ATOM 914 O ALA A 60 4.316 -10.808 0.152 1.00 0.00 O ATOM 915 CB ALA A 60 1.233 -11.393 -0.904 1.00 0.00 C ATOM 0 H ALA A 60 0.398 -10.598 1.360 1.00 0.00 H new ATOM 0 HA ALA A 60 2.465 -12.444 0.490 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.884 -11.584 -1.757 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.450 -12.150 -0.869 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.780 -10.407 -1.006 1.00 0.00 H new ATOM 921 N MET A 61 2.774 -9.170 0.284 1.00 0.00 N ATOM 922 CA MET A 61 3.748 -8.099 0.229 1.00 0.00 C ATOM 923 C MET A 61 4.880 -8.326 1.235 1.00 0.00 C ATOM 924 O MET A 61 6.045 -8.174 0.884 1.00 0.00 O ATOM 925 CB MET A 61 3.088 -6.734 0.474 1.00 0.00 C ATOM 926 CG MET A 61 2.711 -6.483 1.924 1.00 0.00 C ATOM 927 SD MET A 61 2.242 -4.778 2.266 1.00 0.00 S ATOM 928 CE MET A 61 2.652 -4.663 4.007 1.00 0.00 C ATOM 0 H MET A 61 1.803 -8.860 0.330 1.00 0.00 H new ATOM 0 HA MET A 61 4.174 -8.100 -0.774 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.768 -5.948 0.145 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.192 -6.659 -0.142 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.883 -7.139 2.194 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.553 -6.754 2.561 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.745 -3.615 4.290 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.864 -5.130 4.598 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.597 -5.174 4.193 1.00 0.00 H new ATOM 938 N SER A 62 4.555 -8.718 2.471 1.00 0.00 N ATOM 939 CA SER A 62 5.609 -8.896 3.477 1.00 0.00 C ATOM 940 C SER A 62 6.363 -10.210 3.260 1.00 0.00 C ATOM 941 O SER A 62 7.531 -10.315 3.632 1.00 0.00 O ATOM 942 CB SER A 62 5.064 -8.811 4.904 1.00 0.00 C ATOM 943 OG SER A 62 6.106 -8.840 5.869 1.00 0.00 O ATOM 0 H SER A 62 3.607 -8.912 2.793 1.00 0.00 H new ATOM 0 HA SER A 62 6.312 -8.072 3.349 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.488 -7.893 5.019 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.380 -9.641 5.082 1.00 0.00 H new ATOM 0 HG SER A 62 5.721 -8.782 6.768 1.00 0.00 H new ATOM 949 N VAL A 63 5.716 -11.226 2.676 1.00 0.00 N ATOM 950 CA VAL A 63 6.474 -12.394 2.221 1.00 0.00 C ATOM 951 C VAL A 63 7.495 -11.976 1.149 1.00 0.00 C ATOM 952 O VAL A 63 8.619 -12.480 1.110 1.00 0.00 O ATOM 953 CB VAL A 63 5.549 -13.511 1.670 1.00 0.00 C ATOM 954 CG1 VAL A 63 6.338 -14.535 0.865 1.00 0.00 C ATOM 955 CG2 VAL A 63 4.817 -14.204 2.808 1.00 0.00 C ATOM 0 H VAL A 63 4.710 -11.265 2.512 1.00 0.00 H new ATOM 0 HA VAL A 63 6.999 -12.801 3.085 1.00 0.00 H new ATOM 0 HB VAL A 63 4.821 -13.041 1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.662 -15.304 0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.824 -14.041 0.024 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.094 -14.994 1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.172 -14.985 2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.542 -14.649 3.490 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.211 -13.476 3.347 1.00 0.00 H new ATOM 965 N TYR A 64 7.099 -11.028 0.307 1.00 0.00 N ATOM 966 CA TYR A 64 7.945 -10.537 -0.777 1.00 0.00 C ATOM 967 C TYR A 64 9.073 -9.637 -0.275 1.00 0.00 C ATOM 968 O TYR A 64 10.241 -10.029 -0.280 1.00 0.00 O ATOM 969 CB TYR A 64 7.093 -9.776 -1.792 1.00 0.00 C ATOM 970 CG TYR A 64 6.622 -10.615 -2.957 1.00 0.00 C ATOM 971 CD1 TYR A 64 5.884 -11.774 -2.756 1.00 0.00 C ATOM 972 CD2 TYR A 64 6.914 -10.240 -4.262 1.00 0.00 C ATOM 973 CE1 TYR A 64 5.455 -12.540 -3.824 1.00 0.00 C ATOM 974 CE2 TYR A 64 6.488 -10.998 -5.334 1.00 0.00 C ATOM 975 CZ TYR A 64 5.759 -12.146 -5.112 1.00 0.00 C ATOM 976 OH TYR A 64 5.336 -12.903 -6.182 1.00 0.00 O ATOM 0 H TYR A 64 6.185 -10.578 0.355 1.00 0.00 H new ATOM 0 HA TYR A 64 8.406 -11.405 -1.248 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.223 -9.362 -1.282 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.669 -8.934 -2.175 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.641 -12.082 -1.750 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.484 -9.340 -4.441 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.885 -13.441 -3.652 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.725 -10.693 -6.342 1.00 0.00 H new ATOM 0 HH TYR A 64 5.633 -12.484 -7.017 1.00 0.00 H new ATOM 986 N PHE A 65 8.725 -8.429 0.153 1.00 0.00 N ATOM 987 CA PHE A 65 9.728 -7.439 0.529 1.00 0.00 C ATOM 988 C PHE A 65 10.217 -7.665 1.957 1.00 0.00 C ATOM 989 O PHE A 65 9.619 -8.422 2.721 1.00 0.00 O ATOM 990 CB PHE A 65 9.170 -6.010 0.360 1.00 0.00 C ATOM 991 CG PHE A 65 7.907 -5.729 1.111 1.00 0.00 C ATOM 992 CD1 PHE A 65 7.810 -5.979 2.470 1.00 0.00 C ATOM 993 CD2 PHE A 65 6.814 -5.210 0.451 1.00 0.00 C ATOM 994 CE1 PHE A 65 6.647 -5.717 3.152 1.00 0.00 C ATOM 995 CE2 PHE A 65 5.652 -4.944 1.129 1.00 0.00 C ATOM 996 CZ PHE A 65 5.568 -5.197 2.480 1.00 0.00 C ATOM 0 H PHE A 65 7.760 -8.112 0.248 1.00 0.00 H new ATOM 0 HA PHE A 65 10.583 -7.555 -0.137 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.931 -5.299 0.681 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.992 -5.829 -0.700 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.659 -6.385 3.000 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.873 -5.011 -0.609 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.581 -5.919 4.211 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.802 -4.536 0.603 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.652 -4.986 3.012 1.00 0.00 H new ATOM 1006 N THR A 66 11.306 -7.007 2.303 1.00 0.00 N ATOM 1007 CA THR A 66 11.841 -7.072 3.650 1.00 0.00 C ATOM 1008 C THR A 66 11.318 -5.913 4.496 1.00 0.00 C ATOM 1009 O THR A 66 10.606 -5.043 3.986 1.00 0.00 O ATOM 1010 CB THR A 66 13.379 -7.050 3.628 1.00 0.00 C ATOM 1011 OG1 THR A 66 13.836 -5.986 2.782 1.00 0.00 O ATOM 1012 CG2 THR A 66 13.933 -8.378 3.132 1.00 0.00 C ATOM 0 H THR A 66 11.841 -6.417 1.666 1.00 0.00 H new ATOM 0 HA THR A 66 11.510 -8.010 4.096 1.00 0.00 H new ATOM 0 HB THR A 66 13.737 -6.887 4.645 1.00 0.00 H new ATOM 0 HG1 THR A 66 14.816 -5.974 2.772 1.00 0.00 H new ATOM 0 HG21 THR A 66 15.022 -8.338 3.125 1.00 0.00 H new ATOM 0 HG22 THR A 66 13.603 -9.179 3.793 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.571 -8.569 2.122 1.00 0.00 H new ATOM 1020 N ASN A 67 11.675 -5.894 5.774 1.00 0.00 N ATOM 1021 CA ASN A 67 11.195 -4.859 6.689 1.00 0.00 C ATOM 1022 C ASN A 67 11.613 -3.474 6.217 1.00 0.00 C ATOM 1023 O ASN A 67 10.781 -2.576 6.083 1.00 0.00 O ATOM 1024 CB ASN A 67 11.720 -5.098 8.108 1.00 0.00 C ATOM 1025 CG ASN A 67 11.074 -6.291 8.784 1.00 0.00 C ATOM 1026 OD1 ASN A 67 10.041 -6.161 9.442 1.00 0.00 O ATOM 1027 ND2 ASN A 67 11.686 -7.458 8.646 1.00 0.00 N ATOM 0 H ASN A 67 12.295 -6.582 6.203 1.00 0.00 H new ATOM 0 HA ASN A 67 10.106 -4.912 6.700 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.799 -5.249 8.070 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.544 -4.207 8.710 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.303 -8.291 9.093 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.540 -7.524 8.092 1.00 0.00 H new ATOM 1034 N GLU A 68 12.898 -3.308 5.941 1.00 0.00 N ATOM 1035 CA GLU A 68 13.422 -2.018 5.513 1.00 0.00 C ATOM 1036 C GLU A 68 12.854 -1.622 4.151 1.00 0.00 C ATOM 1037 O GLU A 68 12.670 -0.439 3.866 1.00 0.00 O ATOM 1038 CB GLU A 68 14.952 -2.041 5.475 1.00 0.00 C ATOM 1039 CG GLU A 68 15.544 -3.075 4.530 1.00 0.00 C ATOM 1040 CD GLU A 68 17.055 -3.115 4.598 1.00 0.00 C ATOM 1041 OE1 GLU A 68 17.696 -2.111 4.226 1.00 0.00 O ATOM 1042 OE2 GLU A 68 17.611 -4.139 5.047 1.00 0.00 O ATOM 0 H GLU A 68 13.597 -4.048 6.005 1.00 0.00 H new ATOM 0 HA GLU A 68 13.109 -1.269 6.240 1.00 0.00 H new ATOM 0 HB2 GLU A 68 15.310 -1.054 5.184 1.00 0.00 H new ATOM 0 HB3 GLU A 68 15.325 -2.231 6.481 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.145 -4.059 4.776 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.234 -2.851 3.509 1.00 0.00 H new ATOM 1049 N GLN A 69 12.550 -2.618 3.325 1.00 0.00 N ATOM 1050 CA GLN A 69 11.980 -2.369 2.005 1.00 0.00 C ATOM 1051 C GLN A 69 10.615 -1.716 2.130 1.00 0.00 C ATOM 1052 O GLN A 69 10.284 -0.798 1.385 1.00 0.00 O ATOM 1053 CB GLN A 69 11.846 -3.671 1.214 1.00 0.00 C ATOM 1054 CG GLN A 69 12.410 -3.588 -0.196 1.00 0.00 C ATOM 1055 CD GLN A 69 11.560 -2.746 -1.132 1.00 0.00 C ATOM 1056 OE1 GLN A 69 12.077 -2.076 -2.022 1.00 0.00 O ATOM 1057 NE2 GLN A 69 10.245 -2.815 -0.982 1.00 0.00 N ATOM 0 H GLN A 69 12.689 -3.604 3.546 1.00 0.00 H new ATOM 0 HA GLN A 69 12.655 -1.699 1.473 1.00 0.00 H new ATOM 0 HB2 GLN A 69 12.356 -4.469 1.754 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.793 -3.946 1.159 1.00 0.00 H new ATOM 0 HG2 GLN A 69 13.416 -3.170 -0.154 1.00 0.00 H new ATOM 0 HG3 GLN A 69 12.500 -4.595 -0.604 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.846 -3.380 -0.233 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.632 -2.303 -1.616 1.00 0.00 H new ATOM 1066 N ILE A 70 9.816 -2.189 3.072 1.00 0.00 N ATOM 1067 CA ILE A 70 8.483 -1.648 3.244 1.00 0.00 C ATOM 1068 C ILE A 70 8.502 -0.393 4.119 1.00 0.00 C ATOM 1069 O ILE A 70 7.548 0.376 4.131 1.00 0.00 O ATOM 1070 CB ILE A 70 7.487 -2.712 3.763 1.00 0.00 C ATOM 1071 CG1 ILE A 70 6.073 -2.140 3.855 1.00 0.00 C ATOM 1072 CG2 ILE A 70 7.908 -3.298 5.100 1.00 0.00 C ATOM 1073 CD1 ILE A 70 5.581 -1.577 2.543 1.00 0.00 C ATOM 0 H ILE A 70 10.065 -2.936 3.720 1.00 0.00 H new ATOM 0 HA ILE A 70 8.123 -1.347 2.260 1.00 0.00 H new ATOM 0 HB ILE A 70 7.492 -3.525 3.036 1.00 0.00 H new ATOM 0 HG12 ILE A 70 5.391 -2.922 4.188 1.00 0.00 H new ATOM 0 HG13 ILE A 70 6.052 -1.356 4.612 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.175 -4.039 5.419 1.00 0.00 H new ATOM 0 HG22 ILE A 70 8.884 -3.773 4.998 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.967 -2.503 5.843 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.572 -1.186 2.671 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.244 -0.774 2.220 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.572 -2.365 1.790 1.00 0.00 H new ATOM 1085 N LYS A 71 9.601 -0.167 4.826 1.00 0.00 N ATOM 1086 CA LYS A 71 9.851 1.147 5.413 1.00 0.00 C ATOM 1087 C LYS A 71 9.897 2.159 4.282 1.00 0.00 C ATOM 1088 O LYS A 71 9.254 3.218 4.332 1.00 0.00 O ATOM 1089 CB LYS A 71 11.178 1.161 6.173 1.00 0.00 C ATOM 1090 CG LYS A 71 11.203 0.241 7.384 1.00 0.00 C ATOM 1091 CD LYS A 71 10.320 0.769 8.503 1.00 0.00 C ATOM 1092 CE LYS A 71 10.892 2.043 9.106 1.00 0.00 C ATOM 1093 NZ LYS A 71 9.933 2.701 10.032 1.00 0.00 N ATOM 0 H LYS A 71 10.325 -0.863 5.007 1.00 0.00 H new ATOM 0 HA LYS A 71 9.059 1.391 6.121 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.979 0.872 5.492 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.389 2.180 6.498 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.867 -0.754 7.093 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.227 0.139 7.744 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.319 0.964 8.118 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.220 0.010 9.279 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.811 1.809 9.643 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.157 2.735 8.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.452 3.319 10.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.255 3.269 9.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.420 1.976 10.573 1.00 0.00 H new ATOM 1107 N GLU A 72 10.643 1.788 3.243 1.00 0.00 N ATOM 1108 CA GLU A 72 10.734 2.580 2.033 1.00 0.00 C ATOM 1109 C GLU A 72 9.352 2.843 1.461 1.00 0.00 C ATOM 1110 O GLU A 72 8.939 3.988 1.360 1.00 0.00 O ATOM 1111 CB GLU A 72 11.594 1.870 0.985 1.00 0.00 C ATOM 1112 CG GLU A 72 13.011 1.590 1.447 1.00 0.00 C ATOM 1113 CD GLU A 72 13.825 0.842 0.412 1.00 0.00 C ATOM 1114 OE1 GLU A 72 13.850 1.276 -0.759 1.00 0.00 O ATOM 1115 OE2 GLU A 72 14.464 -0.165 0.775 1.00 0.00 O ATOM 0 H GLU A 72 11.197 0.932 3.223 1.00 0.00 H new ATOM 0 HA GLU A 72 11.201 3.531 2.290 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.117 0.928 0.714 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.629 2.481 0.083 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.506 2.533 1.681 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.980 1.009 2.369 1.00 0.00 H new ATOM 1122 N ILE A 73 8.637 1.778 1.100 1.00 0.00 N ATOM 1123 CA ILE A 73 7.317 1.916 0.477 1.00 0.00 C ATOM 1124 C ILE A 73 6.291 2.555 1.404 1.00 0.00 C ATOM 1125 O ILE A 73 5.289 3.076 0.936 1.00 0.00 O ATOM 1126 CB ILE A 73 6.719 0.591 -0.035 1.00 0.00 C ATOM 1127 CG1 ILE A 73 7.781 -0.487 -0.144 1.00 0.00 C ATOM 1128 CG2 ILE A 73 6.071 0.828 -1.383 1.00 0.00 C ATOM 1129 CD1 ILE A 73 7.278 -1.821 -0.644 1.00 0.00 C ATOM 0 H ILE A 73 8.946 0.814 1.226 1.00 0.00 H new ATOM 0 HA ILE A 73 7.513 2.566 -0.376 1.00 0.00 H new ATOM 0 HB ILE A 73 5.971 0.245 0.678 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.567 -0.137 -0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 73 8.236 -0.630 0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.646 -0.106 -1.751 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.281 1.572 -1.281 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.820 1.189 -2.088 1.00 0.00 H new ATOM 0 HD11 ILE A 73 8.106 -2.528 -0.689 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.514 -2.200 0.035 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.850 -1.699 -1.639 1.00 0.00 H new ATOM 1141 N HIS A 74 6.514 2.511 2.706 1.00 0.00 N ATOM 1142 CA HIS A 74 5.579 3.142 3.625 1.00 0.00 C ATOM 1143 C HIS A 74 5.669 4.655 3.463 1.00 0.00 C ATOM 1144 O HIS A 74 4.667 5.321 3.189 1.00 0.00 O ATOM 1145 CB HIS A 74 5.851 2.725 5.072 1.00 0.00 C ATOM 1146 CG HIS A 74 4.615 2.699 5.920 1.00 0.00 C ATOM 1147 ND1 HIS A 74 4.524 3.306 7.152 1.00 0.00 N ATOM 1148 CD2 HIS A 74 3.411 2.115 5.705 1.00 0.00 C ATOM 1149 CE1 HIS A 74 3.326 3.098 7.661 1.00 0.00 C ATOM 1150 NE2 HIS A 74 2.628 2.377 6.803 1.00 0.00 N ATOM 0 H HIS A 74 7.315 2.056 3.145 1.00 0.00 H new ATOM 0 HA HIS A 74 4.568 2.813 3.386 1.00 0.00 H new ATOM 0 HB2 HIS A 74 6.309 1.736 5.079 1.00 0.00 H new ATOM 0 HB3 HIS A 74 6.572 3.414 5.513 1.00 0.00 H new ATOM 0 HD1 HIS A 74 5.270 3.836 7.603 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.121 1.549 4.832 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.975 3.456 8.617 1.00 0.00 H new ATOM 1159 N ASP A 75 6.886 5.182 3.583 1.00 0.00 N ATOM 1160 CA ASP A 75 7.159 6.580 3.303 1.00 0.00 C ATOM 1161 C ASP A 75 6.872 6.877 1.838 1.00 0.00 C ATOM 1162 O ASP A 75 6.396 7.949 1.474 1.00 0.00 O ATOM 1163 CB ASP A 75 8.624 6.860 3.623 1.00 0.00 C ATOM 1164 CG ASP A 75 9.047 8.276 3.320 1.00 0.00 C ATOM 1165 OD1 ASP A 75 8.371 9.214 3.784 1.00 0.00 O ATOM 1166 OD2 ASP A 75 10.096 8.451 2.666 1.00 0.00 O ATOM 0 H ASP A 75 7.705 4.649 3.877 1.00 0.00 H new ATOM 0 HA ASP A 75 6.521 7.218 3.915 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.803 6.654 4.678 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.250 6.173 3.054 1.00 0.00 H new ATOM 1171 N ALA A 76 7.142 5.886 1.011 1.00 0.00 N ATOM 1172 CA ALA A 76 6.949 5.980 -0.422 1.00 0.00 C ATOM 1173 C ALA A 76 5.492 6.143 -0.791 1.00 0.00 C ATOM 1174 O ALA A 76 5.148 6.906 -1.676 1.00 0.00 O ATOM 1175 CB ALA A 76 7.494 4.741 -1.091 1.00 0.00 C ATOM 0 H ALA A 76 7.505 4.984 1.319 1.00 0.00 H new ATOM 0 HA ALA A 76 7.484 6.865 -0.766 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.347 4.815 -2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.558 4.649 -0.875 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.970 3.863 -0.713 1.00 0.00 H new ATOM 1181 N ALA A 77 4.639 5.416 -0.125 1.00 0.00 N ATOM 1182 CA ALA A 77 3.244 5.417 -0.481 1.00 0.00 C ATOM 1183 C ALA A 77 2.478 6.484 0.289 1.00 0.00 C ATOM 1184 O ALA A 77 1.338 6.792 -0.046 1.00 0.00 O ATOM 1185 CB ALA A 77 2.657 4.028 -0.272 1.00 0.00 C ATOM 0 H ALA A 77 4.882 4.817 0.664 1.00 0.00 H new ATOM 0 HA ALA A 77 3.149 5.669 -1.537 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.601 4.035 -0.543 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.188 3.311 -0.898 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.761 3.743 0.775 1.00 0.00 H new ATOM 1191 N THR A 78 3.095 7.057 1.316 1.00 0.00 N ATOM 1192 CA THR A 78 2.473 8.174 2.010 1.00 0.00 C ATOM 1193 C THR A 78 2.987 9.515 1.464 1.00 0.00 C ATOM 1194 O THR A 78 2.199 10.413 1.159 1.00 0.00 O ATOM 1195 CB THR A 78 2.661 8.090 3.551 1.00 0.00 C ATOM 1196 OG1 THR A 78 1.890 9.105 4.198 1.00 0.00 O ATOM 1197 CG2 THR A 78 4.116 8.233 3.968 1.00 0.00 C ATOM 0 H THR A 78 4.005 6.774 1.679 1.00 0.00 H new ATOM 0 HA THR A 78 1.402 8.112 1.817 1.00 0.00 H new ATOM 0 HB THR A 78 2.319 7.101 3.856 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.941 8.977 3.990 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.192 8.167 5.053 1.00 0.00 H new ATOM 0 HG22 THR A 78 4.705 7.436 3.514 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.496 9.199 3.636 1.00 0.00 H new ATOM 1205 N ALA A 79 4.302 9.653 1.339 1.00 0.00 N ATOM 1206 CA ALA A 79 4.903 10.891 0.865 1.00 0.00 C ATOM 1207 C ALA A 79 5.262 10.834 -0.618 1.00 0.00 C ATOM 1208 O ALA A 79 5.527 11.870 -1.230 1.00 0.00 O ATOM 1209 CB ALA A 79 6.138 11.227 1.687 1.00 0.00 C ATOM 0 H ALA A 79 4.974 8.918 1.561 1.00 0.00 H new ATOM 0 HA ALA A 79 4.157 11.676 0.989 1.00 0.00 H new ATOM 0 HB1 ALA A 79 6.577 12.155 1.321 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.857 11.346 2.733 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.866 10.421 1.596 1.00 0.00 H new ATOM 1215 N CYS A 80 5.252 9.624 -1.188 1.00 0.00 N ATOM 1216 CA CYS A 80 5.773 9.376 -2.538 1.00 0.00 C ATOM 1217 C CYS A 80 7.301 9.412 -2.531 1.00 0.00 C ATOM 1218 O CYS A 80 7.934 9.905 -3.465 1.00 0.00 O ATOM 1219 CB CYS A 80 5.189 10.349 -3.570 1.00 0.00 C ATOM 1220 SG CYS A 80 3.591 9.839 -4.284 1.00 0.00 S ATOM 0 H CYS A 80 4.884 8.791 -0.729 1.00 0.00 H new ATOM 0 HA CYS A 80 5.454 8.379 -2.841 1.00 0.00 H new ATOM 0 HB2 CYS A 80 5.066 11.325 -3.100 1.00 0.00 H new ATOM 0 HB3 CYS A 80 5.909 10.474 -4.379 1.00 0.00 H new ATOM 1225 N ASP A 81 7.879 8.860 -1.462 1.00 0.00 N ATOM 1226 CA ASP A 81 9.330 8.824 -1.276 1.00 0.00 C ATOM 1227 C ASP A 81 9.793 7.461 -0.782 1.00 0.00 C ATOM 1228 O ASP A 81 9.766 7.203 0.412 1.00 0.00 O ATOM 1229 CB ASP A 81 9.755 9.849 -0.228 1.00 0.00 C ATOM 1230 CG ASP A 81 9.658 11.277 -0.717 1.00 0.00 C ATOM 1231 OD1 ASP A 81 10.322 11.613 -1.720 1.00 0.00 O ATOM 1232 OD2 ASP A 81 8.946 12.082 -0.088 1.00 0.00 O ATOM 0 H ASP A 81 7.355 8.426 -0.702 1.00 0.00 H new ATOM 0 HA ASP A 81 9.778 9.043 -2.245 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.132 9.732 0.659 1.00 0.00 H new ATOM 0 HB3 ASP A 81 10.782 9.645 0.075 1.00 0.00 H new ATOM 1237 N PRO A 82 10.213 6.545 -1.654 1.00 0.00 N ATOM 1238 CA PRO A 82 10.738 5.268 -1.193 1.00 0.00 C ATOM 1239 C PRO A 82 12.149 5.409 -0.643 1.00 0.00 C ATOM 1240 O PRO A 82 13.128 5.398 -1.394 1.00 0.00 O ATOM 1241 CB PRO A 82 10.703 4.386 -2.442 1.00 0.00 C ATOM 1242 CG PRO A 82 9.938 5.177 -3.458 1.00 0.00 C ATOM 1243 CD PRO A 82 10.167 6.612 -3.118 1.00 0.00 C ATOM 0 HA PRO A 82 10.158 4.849 -0.371 1.00 0.00 H new ATOM 0 HB2 PRO A 82 11.710 4.161 -2.794 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.217 3.432 -2.237 1.00 0.00 H new ATOM 0 HG2 PRO A 82 10.285 4.955 -4.467 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.876 4.932 -3.424 1.00 0.00 H new ATOM 0 HD2 PRO A 82 11.095 6.994 -3.543 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.363 7.255 -3.477 1.00 0.00 H new ATOM 1251 N GLU A 83 12.224 5.580 0.677 1.00 0.00 N ATOM 1252 CA GLU A 83 13.490 5.739 1.388 1.00 0.00 C ATOM 1253 C GLU A 83 14.130 7.079 1.030 1.00 0.00 C ATOM 1254 O GLU A 83 15.341 7.181 0.820 1.00 0.00 O ATOM 1255 CB GLU A 83 14.440 4.571 1.087 1.00 0.00 C ATOM 1256 CG GLU A 83 15.667 4.510 1.986 1.00 0.00 C ATOM 1257 CD GLU A 83 15.315 4.446 3.457 1.00 0.00 C ATOM 1258 OE1 GLU A 83 14.978 5.498 4.035 1.00 0.00 O ATOM 1259 OE2 GLU A 83 15.400 3.349 4.047 1.00 0.00 O ATOM 0 H GLU A 83 11.405 5.612 1.284 1.00 0.00 H new ATOM 0 HA GLU A 83 13.290 5.730 2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 83 13.888 3.636 1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.768 4.643 0.050 1.00 0.00 H new ATOM 0 HG2 GLU A 83 16.262 3.636 1.721 1.00 0.00 H new ATOM 0 HG3 GLU A 83 16.289 5.386 1.804 1.00 0.00 H new ATOM 1266 N ALA A 84 13.299 8.105 0.945 1.00 0.00 N ATOM 1267 CA ALA A 84 13.782 9.451 0.686 1.00 0.00 C ATOM 1268 C ALA A 84 13.431 10.375 1.847 1.00 0.00 C ATOM 1269 O ALA A 84 14.163 11.312 2.160 1.00 0.00 O ATOM 1270 CB ALA A 84 13.204 9.985 -0.615 1.00 0.00 C ATOM 0 H ALA A 84 12.287 8.031 1.052 1.00 0.00 H new ATOM 0 HA ALA A 84 14.867 9.415 0.589 1.00 0.00 H new ATOM 0 HB1 ALA A 84 13.577 10.994 -0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 84 13.504 9.338 -1.439 1.00 0.00 H new ATOM 0 HB3 ALA A 84 12.116 10.007 -0.548 1.00 0.00 H new ATOM 1276 N HIS A 85 12.305 10.097 2.484 1.00 0.00 N ATOM 1277 CA HIS A 85 11.823 10.900 3.599 1.00 0.00 C ATOM 1278 C HIS A 85 11.805 10.059 4.883 1.00 0.00 C ATOM 1279 O HIS A 85 11.791 10.586 5.998 1.00 0.00 O ATOM 1280 CB HIS A 85 10.430 11.435 3.234 1.00 0.00 C ATOM 1281 CG HIS A 85 9.756 12.288 4.264 1.00 0.00 C ATOM 1282 ND1 HIS A 85 10.064 13.613 4.461 1.00 0.00 N ATOM 1283 CD2 HIS A 85 8.745 12.009 5.114 1.00 0.00 C ATOM 1284 CE1 HIS A 85 9.268 14.114 5.384 1.00 0.00 C ATOM 1285 NE2 HIS A 85 8.454 13.163 5.800 1.00 0.00 N ATOM 0 H HIS A 85 11.700 9.311 2.245 1.00 0.00 H new ATOM 0 HA HIS A 85 12.485 11.746 3.787 1.00 0.00 H new ATOM 0 HB2 HIS A 85 10.516 12.013 2.314 1.00 0.00 H new ATOM 0 HB3 HIS A 85 9.783 10.585 3.017 1.00 0.00 H new ATOM 0 HD2 HIS A 85 8.255 11.054 5.233 1.00 0.00 H new ATOM 0 HE1 HIS A 85 9.280 15.133 5.740 1.00 0.00 H new ATOM 0 HE2 HIS A 85 7.730 13.267 6.511 1.00 0.00 H new ATOM 1294 N HIS A 86 11.797 8.736 4.684 1.00 0.00 N ATOM 1295 CA HIS A 86 11.968 7.741 5.750 1.00 0.00 C ATOM 1296 C HIS A 86 10.836 7.821 6.771 1.00 0.00 C ATOM 1297 O HIS A 86 11.049 7.614 7.965 1.00 0.00 O ATOM 1298 CB HIS A 86 13.336 7.910 6.433 1.00 0.00 C ATOM 1299 CG HIS A 86 13.812 6.691 7.170 1.00 0.00 C ATOM 1300 ND1 HIS A 86 14.453 5.640 6.550 1.00 0.00 N ATOM 1301 CD2 HIS A 86 13.752 6.363 8.483 1.00 0.00 C ATOM 1302 CE1 HIS A 86 14.767 4.726 7.444 1.00 0.00 C ATOM 1303 NE2 HIS A 86 14.354 5.139 8.625 1.00 0.00 N ATOM 0 H HIS A 86 11.669 8.319 3.762 1.00 0.00 H new ATOM 0 HA HIS A 86 11.931 6.751 5.294 1.00 0.00 H new ATOM 0 HB2 HIS A 86 14.076 8.176 5.678 1.00 0.00 H new ATOM 0 HB3 HIS A 86 13.280 8.744 7.132 1.00 0.00 H new ATOM 0 HD1 HIS A 86 14.653 5.580 5.552 1.00 0.00 H new ATOM 0 HD2 HIS A 86 13.312 6.955 9.271 1.00 0.00 H new ATOM 0 HE1 HIS A 86 15.277 3.795 7.243 1.00 0.00 H new ATOM 1312 N GLU A 87 9.642 8.152 6.280 1.00 0.00 N ATOM 1313 CA GLU A 87 8.412 8.200 7.079 1.00 0.00 C ATOM 1314 C GLU A 87 8.382 9.409 8.010 1.00 0.00 C ATOM 1315 O GLU A 87 7.313 9.850 8.434 1.00 0.00 O ATOM 1316 CB GLU A 87 8.212 6.920 7.898 1.00 0.00 C ATOM 1317 CG GLU A 87 7.964 5.684 7.057 1.00 0.00 C ATOM 1318 CD GLU A 87 7.582 4.494 7.903 1.00 0.00 C ATOM 1319 OE1 GLU A 87 6.432 4.452 8.383 1.00 0.00 O ATOM 1320 OE2 GLU A 87 8.422 3.599 8.097 1.00 0.00 O ATOM 0 H GLU A 87 9.497 8.399 5.301 1.00 0.00 H new ATOM 0 HA GLU A 87 7.593 8.290 6.365 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.094 6.755 8.517 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.370 7.062 8.575 1.00 0.00 H new ATOM 0 HG2 GLU A 87 7.171 5.888 6.338 1.00 0.00 H new ATOM 0 HG3 GLU A 87 8.861 5.449 6.484 1.00 0.00 H new ATOM 1327 N HIS A 88 9.566 9.945 8.302 1.00 0.00 N ATOM 1328 CA HIS A 88 9.735 11.013 9.281 1.00 0.00 C ATOM 1329 C HIS A 88 9.253 10.529 10.643 1.00 0.00 C ATOM 1330 O HIS A 88 8.380 11.136 11.263 1.00 0.00 O ATOM 1331 CB HIS A 88 8.993 12.284 8.852 1.00 0.00 C ATOM 1332 CG HIS A 88 9.395 13.508 9.619 1.00 0.00 C ATOM 1333 ND1 HIS A 88 10.615 14.122 9.457 1.00 0.00 N ATOM 1334 CD2 HIS A 88 8.734 14.232 10.552 1.00 0.00 C ATOM 1335 CE1 HIS A 88 10.689 15.168 10.255 1.00 0.00 C ATOM 1336 NE2 HIS A 88 9.560 15.261 10.930 1.00 0.00 N ATOM 0 H HIS A 88 10.438 9.648 7.863 1.00 0.00 H new ATOM 0 HA HIS A 88 10.793 11.268 9.347 1.00 0.00 H new ATOM 0 HB2 HIS A 88 9.171 12.457 7.791 1.00 0.00 H new ATOM 0 HB3 HIS A 88 7.921 12.126 8.973 1.00 0.00 H new ATOM 0 HD2 HIS A 88 7.741 14.036 10.929 1.00 0.00 H new ATOM 0 HE1 HIS A 88 11.533 15.837 10.342 1.00 0.00 H new ATOM 0 HE2 HIS A 88 9.337 15.979 11.619 1.00 0.00 H new ATOM 1345 N ASP A 89 9.833 9.415 11.085 1.00 0.00 N ATOM 1346 CA ASP A 89 9.444 8.777 12.338 1.00 0.00 C ATOM 1347 C ASP A 89 9.534 9.755 13.501 1.00 0.00 C ATOM 1348 O ASP A 89 10.583 10.355 13.750 1.00 0.00 O ATOM 1349 CB ASP A 89 10.325 7.557 12.613 1.00 0.00 C ATOM 1350 CG ASP A 89 9.951 6.854 13.902 1.00 0.00 C ATOM 1351 OD1 ASP A 89 8.985 6.066 13.902 1.00 0.00 O ATOM 1352 OD2 ASP A 89 10.622 7.087 14.928 1.00 0.00 O ATOM 0 H ASP A 89 10.581 8.933 10.587 1.00 0.00 H new ATOM 0 HA ASP A 89 8.408 8.453 12.240 1.00 0.00 H new ATOM 0 HB2 ASP A 89 10.240 6.856 11.782 1.00 0.00 H new ATOM 0 HB3 ASP A 89 11.368 7.869 12.662 1.00 0.00 H new ATOM 1357 N HIS A 90 8.423 9.919 14.198 1.00 0.00 N ATOM 1358 CA HIS A 90 8.347 10.846 15.311 1.00 0.00 C ATOM 1359 C HIS A 90 7.842 10.114 16.547 1.00 0.00 C ATOM 1360 O HIS A 90 6.618 10.107 16.782 1.00 0.00 O ATOM 1361 CB HIS A 90 7.420 12.013 14.953 1.00 0.00 C ATOM 1362 CG HIS A 90 7.574 13.212 15.837 1.00 0.00 C ATOM 1363 ND1 HIS A 90 6.565 13.699 16.638 1.00 0.00 N ATOM 1364 CD2 HIS A 90 8.624 14.047 16.013 1.00 0.00 C ATOM 1365 CE1 HIS A 90 6.988 14.780 17.264 1.00 0.00 C ATOM 1366 NE2 HIS A 90 8.235 15.015 16.902 1.00 0.00 N ATOM 1367 OXT HIS A 90 8.673 9.520 17.261 1.00 0.00 O ATOM 0 H HIS A 90 7.555 9.417 14.010 1.00 0.00 H new ATOM 0 HA HIS A 90 9.338 11.248 15.523 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.609 12.309 13.921 1.00 0.00 H new ATOM 0 HB3 HIS A 90 6.387 11.670 15.002 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.591 13.966 15.540 1.00 0.00 H new ATOM 0 HE1 HIS A 90 6.410 15.374 17.957 1.00 0.00 H new ATOM 0 HE2 HIS A 90 8.813 15.789 17.229 1.00 0.00 H new TER 1376 HIS A 90