USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 740 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 31 HIS : no HD1:sc= -2.85! C(o=-10!,f=-13!) USER MOD Set 1.2: A 84 HIS : no HD1:sc= -7.49! C(o=-10!,f=-14!) USER MOD Set 2.1: A 13 HIS : no HD1:sc= -5.26! C(o=-7.1!,f=-6.7!) USER MOD Set 2.2: A 21 ASN : amide:sc= -1.81 X(o=-7.1,f=-7.2!) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 119:sc= 0.435 USER MOD Single : A 17 ASN : amide:sc= -0.289 K(o=-0.29,f=-2.5!) USER MOD Single : A 19 LYS NZ :NH3+ -170:sc= -0.0168 (180deg=-0.171) USER MOD Single : A 20 SER OG : rot 180:sc= 0.00459 USER MOD Single : A 24 ASN : amide:sc= -3.49! K(o=-3.5!,f=-0.73) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 172:sc= -0.0116 (180deg=-0.0952) USER MOD Single : A 42 ASN : amide:sc= -1.57 K(o=-1.6,f=-0.82) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= -0.0898 K(o=-0.09,f=-3.4!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -100:sc= -0.462 USER MOD Single : A 58 LYS NZ :NH3+ -151:sc= 1.27 (180deg=0.962) USER MOD Single : A 61 SER OG : rot -59:sc= 0.104 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 22:sc= 0.086 USER MOD Single : A 71 THR OG1 : rot 180:sc=-2.25e-06 USER MOD Single : A 73 THR OG1 : rot -107:sc= 1.9 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= -0.0134 USER MOD Single : A 83 ASN : amide:sc=-0.00328 K(o=-0.0033,f=-1.3!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -39:sc= 0.396 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -150:sc= -0.186 (180deg=-1.34!) USER MOD Single : A 99 MET CE :methyl -162:sc= -0.311 (180deg=-0.794) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 6.821 -7.367 7.469 1.00 0.00 N ATOM 2 CA MET A 6 5.366 -7.372 7.474 1.00 0.00 C ATOM 3 C MET A 6 4.828 -6.016 7.049 1.00 0.00 C ATOM 4 O MET A 6 5.371 -4.980 7.432 1.00 0.00 O ATOM 5 CB MET A 6 4.845 -7.718 8.873 1.00 0.00 C ATOM 6 CG MET A 6 3.329 -7.669 8.994 1.00 0.00 C ATOM 7 SD MET A 6 2.753 -8.005 10.670 1.00 0.00 S ATOM 8 CE MET A 6 0.981 -7.842 10.457 1.00 0.00 C ATOM 0 HA MET A 6 5.022 -8.126 6.766 1.00 0.00 H new ATOM 0 HB2 MET A 6 5.189 -8.717 9.142 1.00 0.00 H new ATOM 0 HB3 MET A 6 5.280 -7.026 9.594 1.00 0.00 H new ATOM 0 HG2 MET A 6 2.975 -6.686 8.683 1.00 0.00 H new ATOM 0 HG3 MET A 6 2.890 -8.396 8.311 1.00 0.00 H new ATOM 0 HE1 MET A 6 0.482 -8.022 11.409 1.00 0.00 H new ATOM 0 HE2 MET A 6 0.747 -6.836 10.109 1.00 0.00 H new ATOM 0 HE3 MET A 6 0.634 -8.569 9.723 1.00 0.00 H new ATOM 17 N ILE A 7 3.770 -6.026 6.254 1.00 0.00 N ATOM 18 CA ILE A 7 3.122 -4.790 5.847 1.00 0.00 C ATOM 19 C ILE A 7 1.915 -4.538 6.742 1.00 0.00 C ATOM 20 O ILE A 7 1.213 -5.474 7.124 1.00 0.00 O ATOM 21 CB ILE A 7 2.615 -4.847 4.378 1.00 0.00 C ATOM 22 CG1 ILE A 7 3.563 -5.635 3.469 1.00 0.00 C ATOM 23 CG2 ILE A 7 2.416 -3.445 3.813 1.00 0.00 C ATOM 24 CD1 ILE A 7 2.874 -6.161 2.221 1.00 0.00 C ATOM 0 H ILE A 7 3.343 -6.873 5.879 1.00 0.00 H new ATOM 0 HA ILE A 7 3.863 -3.995 5.932 1.00 0.00 H new ATOM 0 HB ILE A 7 1.657 -5.367 4.401 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.396 -4.995 3.177 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.984 -6.471 4.027 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.061 -3.514 2.785 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.681 -2.911 4.415 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.363 -2.906 3.835 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.592 -6.711 1.613 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.058 -6.824 2.508 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.477 -5.325 1.645 1.00 0.00 H new ATOM 36 N GLN A 8 1.685 -3.284 7.091 1.00 0.00 N ATOM 37 CA GLN A 8 0.502 -2.914 7.849 1.00 0.00 C ATOM 38 C GLN A 8 -0.231 -1.771 7.154 1.00 0.00 C ATOM 39 O GLN A 8 0.258 -0.642 7.114 1.00 0.00 O ATOM 40 CB GLN A 8 0.886 -2.523 9.278 1.00 0.00 C ATOM 41 CG GLN A 8 1.382 -3.695 10.120 1.00 0.00 C ATOM 42 CD GLN A 8 1.941 -3.250 11.457 1.00 0.00 C ATOM 43 OE1 GLN A 8 3.136 -2.993 11.585 1.00 0.00 O ATOM 44 NE2 GLN A 8 1.081 -3.141 12.459 1.00 0.00 N ATOM 0 H GLN A 8 2.302 -2.505 6.862 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.167 -3.773 7.899 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.663 -1.759 9.240 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.022 -2.075 9.768 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.561 -4.392 10.286 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.152 -4.235 9.569 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.096 -3.364 12.313 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.403 -2.834 13.377 1.00 0.00 H new ATOM 53 N VAL A 9 -1.385 -2.077 6.576 1.00 0.00 N ATOM 54 CA VAL A 9 -2.189 -1.066 5.901 1.00 0.00 C ATOM 55 C VAL A 9 -3.214 -0.449 6.840 1.00 0.00 C ATOM 56 O VAL A 9 -3.738 -1.113 7.734 1.00 0.00 O ATOM 57 CB VAL A 9 -2.922 -1.636 4.662 1.00 0.00 C ATOM 58 CG1 VAL A 9 -1.956 -1.816 3.506 1.00 0.00 C ATOM 59 CG2 VAL A 9 -3.595 -2.954 5.002 1.00 0.00 C ATOM 0 H VAL A 9 -1.785 -3.015 6.561 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.490 -0.297 5.572 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.690 -0.924 4.360 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.490 -2.217 2.645 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.518 -0.853 3.245 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.165 -2.507 3.797 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.105 -3.340 4.120 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.844 -3.672 5.330 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.320 -2.797 5.801 1.00 0.00 H new ATOM 69 N TYR A 10 -3.492 0.824 6.604 1.00 0.00 N ATOM 70 CA TYR A 10 -4.422 1.611 7.407 1.00 0.00 C ATOM 71 C TYR A 10 -4.949 2.754 6.562 1.00 0.00 C ATOM 72 O TYR A 10 -4.526 2.931 5.419 1.00 0.00 O ATOM 73 CB TYR A 10 -3.741 2.170 8.665 1.00 0.00 C ATOM 74 CG TYR A 10 -3.518 1.134 9.759 1.00 0.00 C ATOM 75 CD1 TYR A 10 -2.240 0.871 10.250 1.00 0.00 C ATOM 76 CD2 TYR A 10 -4.583 0.403 10.283 1.00 0.00 C ATOM 77 CE1 TYR A 10 -2.034 -0.088 11.229 1.00 0.00 C ATOM 78 CE2 TYR A 10 -4.380 -0.555 11.266 1.00 0.00 C ATOM 79 CZ TYR A 10 -3.106 -0.795 11.731 1.00 0.00 C ATOM 80 OH TYR A 10 -2.902 -1.749 12.702 1.00 0.00 O ATOM 0 H TYR A 10 -3.072 1.350 5.837 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.239 0.966 7.729 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.780 2.601 8.385 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.349 2.981 9.065 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.397 1.423 9.861 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.583 0.585 9.918 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.037 -0.281 11.597 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.217 -1.110 11.664 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.760 -2.154 12.948 1.00 0.00 H new ATOM 90 N SER A 11 -5.879 3.517 7.102 1.00 0.00 N ATOM 91 CA SER A 11 -6.413 4.658 6.385 1.00 0.00 C ATOM 92 C SER A 11 -6.295 5.929 7.211 1.00 0.00 C ATOM 93 O SER A 11 -6.111 5.891 8.430 1.00 0.00 O ATOM 94 CB SER A 11 -7.873 4.417 6.021 1.00 0.00 C ATOM 95 OG SER A 11 -8.023 3.217 5.281 1.00 0.00 O ATOM 0 H SER A 11 -6.278 3.369 8.029 1.00 0.00 H new ATOM 0 HA SER A 11 -5.829 4.783 5.473 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.474 4.365 6.929 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.249 5.257 5.437 1.00 0.00 H new ATOM 0 HG SER A 11 -8.607 2.601 5.771 1.00 0.00 H new ATOM 101 N ARG A 12 -6.396 7.054 6.520 1.00 0.00 N ATOM 102 CA ARG A 12 -6.281 8.367 7.147 1.00 0.00 C ATOM 103 C ARG A 12 -7.575 8.749 7.874 1.00 0.00 C ATOM 104 O ARG A 12 -7.556 9.536 8.821 1.00 0.00 O ATOM 105 CB ARG A 12 -5.942 9.421 6.081 1.00 0.00 C ATOM 106 CG ARG A 12 -4.948 10.471 6.540 1.00 0.00 C ATOM 107 CD ARG A 12 -5.533 11.376 7.604 1.00 0.00 C ATOM 108 NE ARG A 12 -4.621 12.461 7.953 1.00 0.00 N ATOM 109 CZ ARG A 12 -4.323 12.826 9.194 1.00 0.00 C ATOM 110 NH1 ARG A 12 -4.796 12.147 10.232 1.00 0.00 N ATOM 111 NH2 ARG A 12 -3.516 13.858 9.387 1.00 0.00 N ATOM 0 H ARG A 12 -6.559 7.086 5.514 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.481 8.327 7.886 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.541 8.917 5.202 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.862 9.918 5.772 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.056 9.981 6.931 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.633 11.071 5.686 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.475 11.793 7.249 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.759 10.790 8.495 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.182 12.975 7.189 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.395 11.336 10.080 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.560 12.437 11.181 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.132 14.362 8.587 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.279 14.149 10.335 1.00 0.00 H new ATOM 125 N HIS A 13 -8.688 8.170 7.449 1.00 0.00 N ATOM 126 CA HIS A 13 -10.003 8.543 7.968 1.00 0.00 C ATOM 127 C HIS A 13 -10.714 7.322 8.573 1.00 0.00 C ATOM 128 O HIS A 13 -10.202 6.203 8.503 1.00 0.00 O ATOM 129 CB HIS A 13 -10.853 9.108 6.819 1.00 0.00 C ATOM 130 CG HIS A 13 -11.448 8.046 5.936 1.00 0.00 C ATOM 131 ND1 HIS A 13 -10.703 6.987 5.487 1.00 0.00 N ATOM 132 CD2 HIS A 13 -12.718 7.911 5.489 1.00 0.00 C ATOM 133 CE1 HIS A 13 -11.531 6.233 4.792 1.00 0.00 C ATOM 134 NE2 HIS A 13 -12.767 6.751 4.758 1.00 0.00 N ATOM 0 H HIS A 13 -8.710 7.435 6.742 1.00 0.00 H new ATOM 0 HA HIS A 13 -9.875 9.293 8.748 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -11.657 9.715 7.236 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -10.236 9.770 6.212 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -13.539 8.589 5.673 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -11.248 5.310 4.308 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -13.581 6.361 4.283 1.00 0.00 H new ATOM 142 N PRO A 14 -11.897 7.529 9.188 1.00 0.00 N ATOM 143 CA PRO A 14 -12.815 6.441 9.534 1.00 0.00 C ATOM 144 C PRO A 14 -13.607 5.990 8.303 1.00 0.00 C ATOM 145 O PRO A 14 -14.282 6.803 7.667 1.00 0.00 O ATOM 146 CB PRO A 14 -13.763 7.060 10.573 1.00 0.00 C ATOM 147 CG PRO A 14 -13.240 8.443 10.832 1.00 0.00 C ATOM 148 CD PRO A 14 -12.426 8.825 9.625 1.00 0.00 C ATOM 0 HA PRO A 14 -12.291 5.562 9.910 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -14.786 7.093 10.198 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.778 6.470 11.489 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -14.059 9.145 10.985 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.629 8.464 11.734 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.036 9.297 8.855 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.630 9.526 9.875 1.00 0.00 H new ATOM 156 N ALA A 15 -13.531 4.700 7.994 1.00 0.00 N ATOM 157 CA ALA A 15 -14.071 4.140 6.746 1.00 0.00 C ATOM 158 C ALA A 15 -15.526 4.545 6.491 1.00 0.00 C ATOM 159 O ALA A 15 -16.428 4.068 7.181 1.00 0.00 O ATOM 160 CB ALA A 15 -13.975 2.619 6.776 1.00 0.00 C ATOM 0 H ALA A 15 -13.093 4.006 8.599 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.469 4.548 5.934 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.377 2.211 5.849 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.931 2.322 6.881 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.548 2.235 7.620 1.00 0.00 H new ATOM 166 N GLU A 16 -15.772 5.413 5.501 1.00 0.00 N ATOM 167 CA GLU A 16 -17.146 5.755 5.152 1.00 0.00 C ATOM 168 C GLU A 16 -17.490 5.297 3.735 1.00 0.00 C ATOM 169 O GLU A 16 -16.789 5.638 2.777 1.00 0.00 O ATOM 170 CB GLU A 16 -17.401 7.258 5.281 1.00 0.00 C ATOM 171 CG GLU A 16 -18.070 7.646 6.582 1.00 0.00 C ATOM 172 CD GLU A 16 -19.388 6.926 6.789 1.00 0.00 C ATOM 173 OE1 GLU A 16 -20.367 7.260 6.089 1.00 0.00 O ATOM 174 OE2 GLU A 16 -19.457 6.032 7.658 1.00 0.00 O ATOM 0 H GLU A 16 -15.055 5.878 4.944 1.00 0.00 H new ATOM 0 HA GLU A 16 -17.790 5.231 5.858 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.452 7.788 5.197 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.024 7.586 4.449 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -17.401 7.421 7.413 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.241 8.722 6.593 1.00 0.00 H new ATOM 181 N ASN A 17 -18.562 4.517 3.611 1.00 0.00 N ATOM 182 CA ASN A 17 -19.051 4.071 2.311 1.00 0.00 C ATOM 183 C ASN A 17 -19.494 5.267 1.457 1.00 0.00 C ATOM 184 O ASN A 17 -20.435 5.984 1.806 1.00 0.00 O ATOM 185 CB ASN A 17 -20.205 3.052 2.504 1.00 0.00 C ATOM 186 CG ASN A 17 -21.056 2.868 1.255 1.00 0.00 C ATOM 187 OD1 ASN A 17 -20.748 2.051 0.387 1.00 0.00 O ATOM 188 ND2 ASN A 17 -22.149 3.614 1.170 1.00 0.00 N ATOM 0 H ASN A 17 -19.111 4.180 4.402 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.241 3.574 1.778 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -19.786 2.089 2.796 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -20.841 3.384 3.324 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -22.768 3.522 0.365 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -22.371 4.280 1.910 1.00 0.00 H new ATOM 195 N GLY A 18 -18.784 5.494 0.353 1.00 0.00 N ATOM 196 CA GLY A 18 -19.129 6.582 -0.555 1.00 0.00 C ATOM 197 C GLY A 18 -18.077 7.675 -0.623 1.00 0.00 C ATOM 198 O GLY A 18 -18.079 8.476 -1.558 1.00 0.00 O ATOM 0 H GLY A 18 -17.974 4.943 0.069 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.283 6.175 -1.554 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.076 7.020 -0.240 1.00 0.00 H new ATOM 202 N LYS A 19 -17.179 7.725 0.353 1.00 0.00 N ATOM 203 CA LYS A 19 -16.161 8.779 0.373 1.00 0.00 C ATOM 204 C LYS A 19 -14.912 8.344 -0.369 1.00 0.00 C ATOM 205 O LYS A 19 -14.569 7.161 -0.385 1.00 0.00 O ATOM 206 CB LYS A 19 -15.750 9.134 1.805 1.00 0.00 C ATOM 207 CG LYS A 19 -16.889 9.263 2.803 1.00 0.00 C ATOM 208 CD LYS A 19 -17.856 10.397 2.499 1.00 0.00 C ATOM 209 CE LYS A 19 -17.175 11.763 2.502 1.00 0.00 C ATOM 210 NZ LYS A 19 -16.454 12.027 3.777 1.00 0.00 N ATOM 0 H LYS A 19 -17.130 7.064 1.129 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.607 9.648 -0.112 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.060 8.371 2.165 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.201 10.076 1.783 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.443 8.325 2.829 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.471 9.414 3.798 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -18.316 10.226 1.526 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -18.659 10.393 3.236 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -16.472 11.819 1.671 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.922 12.540 2.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.152 13.022 3.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.086 11.834 4.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.619 11.410 3.838 1.00 0.00 H new ATOM 224 N SER A 20 -14.243 9.304 -0.985 1.00 0.00 N ATOM 225 CA SER A 20 -12.917 9.072 -1.507 1.00 0.00 C ATOM 226 C SER A 20 -11.876 9.629 -0.547 1.00 0.00 C ATOM 227 O SER A 20 -12.037 10.718 0.010 1.00 0.00 O ATOM 228 CB SER A 20 -12.757 9.650 -2.913 1.00 0.00 C ATOM 229 OG SER A 20 -13.513 10.838 -3.080 1.00 0.00 O ATOM 0 H SER A 20 -14.600 10.248 -1.133 1.00 0.00 H new ATOM 0 HA SER A 20 -12.763 7.996 -1.593 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.704 9.859 -3.103 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.073 8.911 -3.649 1.00 0.00 H new ATOM 0 HG SER A 20 -13.386 11.181 -3.989 1.00 0.00 H new ATOM 235 N ASN A 21 -10.807 8.874 -0.372 1.00 0.00 N ATOM 236 CA ASN A 21 -9.800 9.145 0.649 1.00 0.00 C ATOM 237 C ASN A 21 -8.487 8.555 0.152 1.00 0.00 C ATOM 238 O ASN A 21 -8.295 8.434 -1.058 1.00 0.00 O ATOM 239 CB ASN A 21 -10.182 8.510 1.996 1.00 0.00 C ATOM 240 CG ASN A 21 -11.626 8.747 2.419 1.00 0.00 C ATOM 241 OD1 ASN A 21 -12.534 8.032 1.998 1.00 0.00 O ATOM 242 ND2 ASN A 21 -11.851 9.705 3.299 1.00 0.00 N ATOM 0 H ASN A 21 -10.608 8.048 -0.936 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.717 10.220 0.812 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.005 7.436 1.940 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.521 8.903 2.769 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.796 9.867 3.646 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.080 10.283 3.632 1.00 0.00 H new ATOM 249 N PHE A 22 -7.604 8.145 1.057 1.00 0.00 N ATOM 250 CA PHE A 22 -6.296 7.632 0.656 1.00 0.00 C ATOM 251 C PHE A 22 -5.980 6.321 1.370 1.00 0.00 C ATOM 252 O PHE A 22 -6.168 6.215 2.584 1.00 0.00 O ATOM 253 CB PHE A 22 -5.200 8.657 0.962 1.00 0.00 C ATOM 254 CG PHE A 22 -5.273 9.884 0.097 1.00 0.00 C ATOM 255 CD1 PHE A 22 -5.165 11.157 0.640 1.00 0.00 C ATOM 256 CD2 PHE A 22 -5.460 9.758 -1.267 1.00 0.00 C ATOM 257 CE1 PHE A 22 -5.242 12.277 -0.167 1.00 0.00 C ATOM 258 CE2 PHE A 22 -5.537 10.872 -2.079 1.00 0.00 C ATOM 259 CZ PHE A 22 -5.428 12.135 -1.530 1.00 0.00 C ATOM 0 H PHE A 22 -7.766 8.157 2.064 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.327 7.448 -0.418 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.272 8.954 2.008 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.226 8.186 0.831 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.019 11.274 1.704 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.547 8.774 -1.704 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.157 13.262 0.267 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.682 10.756 -3.143 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.488 13.008 -2.163 1.00 0.00 H new ATOM 269 N LEU A 23 -5.513 5.325 0.617 1.00 0.00 N ATOM 270 CA LEU A 23 -5.100 4.056 1.216 1.00 0.00 C ATOM 271 C LEU A 23 -3.618 4.114 1.555 1.00 0.00 C ATOM 272 O LEU A 23 -2.774 4.326 0.685 1.00 0.00 O ATOM 273 CB LEU A 23 -5.402 2.864 0.289 1.00 0.00 C ATOM 274 CG LEU A 23 -4.773 1.504 0.686 1.00 0.00 C ATOM 275 CD1 LEU A 23 -5.139 1.093 2.108 1.00 0.00 C ATOM 276 CD2 LEU A 23 -5.210 0.418 -0.283 1.00 0.00 C ATOM 0 H LEU A 23 -5.412 5.371 -0.397 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.674 3.904 2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.483 2.738 0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.062 3.117 -0.715 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.691 1.628 0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.675 0.134 2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.782 1.848 2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.222 1.002 2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.761 -0.532 0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.296 0.327 -0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.887 0.678 -1.291 1.00 0.00 H new ATOM 288 N ASN A 24 -3.318 3.936 2.826 1.00 0.00 N ATOM 289 CA ASN A 24 -1.965 4.092 3.323 1.00 0.00 C ATOM 290 C ASN A 24 -1.344 2.737 3.653 1.00 0.00 C ATOM 291 O ASN A 24 -1.770 2.054 4.586 1.00 0.00 O ATOM 292 CB ASN A 24 -1.962 5.003 4.562 1.00 0.00 C ATOM 293 CG ASN A 24 -2.382 6.429 4.249 1.00 0.00 C ATOM 294 OD1 ASN A 24 -3.560 6.775 4.334 1.00 0.00 O ATOM 295 ND2 ASN A 24 -1.421 7.268 3.895 1.00 0.00 N ATOM 0 H ASN A 24 -4.000 3.681 3.540 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.362 4.555 2.542 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.634 4.588 5.313 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.963 5.011 4.998 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.646 8.240 3.681 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.456 6.943 3.836 1.00 0.00 H new ATOM 302 N CYS A 25 -0.344 2.347 2.874 1.00 0.00 N ATOM 303 CA CYS A 25 0.375 1.091 3.084 1.00 0.00 C ATOM 304 C CYS A 25 1.792 1.386 3.578 1.00 0.00 C ATOM 305 O CYS A 25 2.573 2.027 2.872 1.00 0.00 O ATOM 306 CB CYS A 25 0.441 0.308 1.758 1.00 0.00 C ATOM 307 SG CYS A 25 1.694 -1.012 1.730 1.00 0.00 S ATOM 0 H CYS A 25 -0.006 2.889 2.079 1.00 0.00 H new ATOM 0 HA CYS A 25 -0.149 0.495 3.831 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.537 -0.131 1.560 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.647 1.006 0.947 1.00 0.00 H new ATOM 312 N TYR A 26 2.122 0.945 4.788 1.00 0.00 N ATOM 313 CA TYR A 26 3.462 1.167 5.321 1.00 0.00 C ATOM 314 C TYR A 26 4.359 -0.012 4.995 1.00 0.00 C ATOM 315 O TYR A 26 3.993 -1.163 5.231 1.00 0.00 O ATOM 316 CB TYR A 26 3.452 1.356 6.844 1.00 0.00 C ATOM 317 CG TYR A 26 2.557 2.464 7.352 1.00 0.00 C ATOM 318 CD1 TYR A 26 2.971 3.789 7.320 1.00 0.00 C ATOM 319 CD2 TYR A 26 1.300 2.183 7.864 1.00 0.00 C ATOM 320 CE1 TYR A 26 2.154 4.805 7.783 1.00 0.00 C ATOM 321 CE2 TYR A 26 0.475 3.192 8.332 1.00 0.00 C ATOM 322 CZ TYR A 26 0.908 4.503 8.285 1.00 0.00 C ATOM 323 OH TYR A 26 0.094 5.515 8.742 1.00 0.00 O ATOM 0 H TYR A 26 1.491 0.439 5.410 1.00 0.00 H new ATOM 0 HA TYR A 26 3.839 2.078 4.855 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.142 0.420 7.308 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.471 1.554 7.176 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.947 4.031 6.927 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.958 1.159 7.899 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.492 5.830 7.751 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.500 2.956 8.731 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.751 5.136 9.063 1.00 0.00 H new ATOM 333 N VAL A 27 5.539 0.281 4.476 1.00 0.00 N ATOM 334 CA VAL A 27 6.539 -0.734 4.210 1.00 0.00 C ATOM 335 C VAL A 27 7.850 -0.263 4.843 1.00 0.00 C ATOM 336 O VAL A 27 8.499 0.649 4.334 1.00 0.00 O ATOM 337 CB VAL A 27 6.731 -0.937 2.683 1.00 0.00 C ATOM 338 CG1 VAL A 27 7.742 -2.038 2.398 1.00 0.00 C ATOM 339 CG2 VAL A 27 5.404 -1.260 2.011 1.00 0.00 C ATOM 0 H VAL A 27 5.829 1.227 4.228 1.00 0.00 H new ATOM 0 HA VAL A 27 6.223 -1.689 4.631 1.00 0.00 H new ATOM 0 HB VAL A 27 7.115 -0.004 2.271 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.856 -2.158 1.321 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.703 -1.772 2.837 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.392 -2.975 2.832 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.562 -1.398 0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.993 -2.175 2.438 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.706 -0.439 2.171 1.00 0.00 H new ATOM 349 N SER A 28 8.229 -0.863 5.962 1.00 0.00 N ATOM 350 CA SER A 28 9.336 -0.337 6.752 1.00 0.00 C ATOM 351 C SER A 28 10.414 -1.399 7.014 1.00 0.00 C ATOM 352 O SER A 28 10.104 -2.563 7.259 1.00 0.00 O ATOM 353 CB SER A 28 8.774 0.228 8.066 1.00 0.00 C ATOM 354 OG SER A 28 8.087 -0.773 8.804 1.00 0.00 O ATOM 0 H SER A 28 7.794 -1.704 6.341 1.00 0.00 H new ATOM 0 HA SER A 28 9.827 0.458 6.190 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.587 0.633 8.668 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.096 1.053 7.849 1.00 0.00 H new ATOM 0 HG SER A 28 7.741 -0.387 9.636 1.00 0.00 H new ATOM 360 N GLY A 29 11.677 -0.974 6.959 1.00 0.00 N ATOM 361 CA GLY A 29 12.806 -1.886 7.141 1.00 0.00 C ATOM 362 C GLY A 29 13.532 -2.160 5.841 1.00 0.00 C ATOM 363 O GLY A 29 14.663 -2.644 5.835 1.00 0.00 O ATOM 0 H GLY A 29 11.943 -0.004 6.790 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.503 -1.460 7.862 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.448 -2.826 7.561 1.00 0.00 H new ATOM 367 N PHE A 30 12.885 -1.822 4.739 1.00 0.00 N ATOM 368 CA PHE A 30 13.397 -2.131 3.415 1.00 0.00 C ATOM 369 C PHE A 30 13.974 -0.884 2.770 1.00 0.00 C ATOM 370 O PHE A 30 13.465 0.215 2.977 1.00 0.00 O ATOM 371 CB PHE A 30 12.269 -2.682 2.542 1.00 0.00 C ATOM 372 CG PHE A 30 11.556 -3.872 3.156 1.00 0.00 C ATOM 373 CD1 PHE A 30 11.925 -5.169 2.824 1.00 0.00 C ATOM 374 CD2 PHE A 30 10.525 -3.690 4.073 1.00 0.00 C ATOM 375 CE1 PHE A 30 11.279 -6.260 3.391 1.00 0.00 C ATOM 376 CE2 PHE A 30 9.880 -4.777 4.643 1.00 0.00 C ATOM 377 CZ PHE A 30 10.257 -6.058 4.297 1.00 0.00 C ATOM 0 H PHE A 30 11.993 -1.327 4.736 1.00 0.00 H new ATOM 0 HA PHE A 30 14.185 -2.879 3.509 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.544 -1.890 2.356 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.678 -2.973 1.574 1.00 0.00 H new ATOM 0 HD1 PHE A 30 12.724 -5.331 2.116 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.223 -2.689 4.344 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.575 -7.264 3.124 1.00 0.00 H new ATOM 0 HE2 PHE A 30 9.084 -4.621 5.356 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.751 -6.905 4.736 1.00 0.00 H new ATOM 387 N HIS A 31 15.036 -1.049 1.992 1.00 0.00 N ATOM 388 CA HIS A 31 15.609 0.070 1.264 1.00 0.00 C ATOM 389 C HIS A 31 14.830 0.277 -0.028 1.00 0.00 C ATOM 390 O HIS A 31 14.615 -0.665 -0.787 1.00 0.00 O ATOM 391 CB HIS A 31 17.106 -0.156 0.985 1.00 0.00 C ATOM 392 CG HIS A 31 17.415 -1.345 0.116 1.00 0.00 C ATOM 393 ND1 HIS A 31 17.545 -2.600 0.658 1.00 0.00 N ATOM 394 CD2 HIS A 31 17.634 -1.420 -1.225 1.00 0.00 C ATOM 395 CE1 HIS A 31 17.840 -3.401 -0.347 1.00 0.00 C ATOM 396 NE2 HIS A 31 17.904 -2.731 -1.504 1.00 0.00 N ATOM 0 H HIS A 31 15.513 -1.940 1.851 1.00 0.00 H new ATOM 0 HA HIS A 31 15.532 0.971 1.873 1.00 0.00 H new ATOM 0 HB2 HIS A 31 17.511 0.738 0.511 1.00 0.00 H new ATOM 0 HB3 HIS A 31 17.624 -0.275 1.936 1.00 0.00 H new ATOM 0 HD2 HIS A 31 17.601 -0.603 -1.931 1.00 0.00 H new ATOM 0 HE1 HIS A 31 18.009 -4.463 -0.249 1.00 0.00 H new ATOM 0 HE2 HIS A 31 18.115 -3.124 -2.421 1.00 0.00 H new ATOM 404 N PRO A 32 14.398 1.517 -0.288 1.00 0.00 N ATOM 405 CA PRO A 32 13.499 1.853 -1.411 1.00 0.00 C ATOM 406 C PRO A 32 14.106 1.615 -2.794 1.00 0.00 C ATOM 407 O PRO A 32 13.521 2.000 -3.803 1.00 0.00 O ATOM 408 CB PRO A 32 13.247 3.356 -1.226 1.00 0.00 C ATOM 409 CG PRO A 32 13.618 3.642 0.190 1.00 0.00 C ATOM 410 CD PRO A 32 14.741 2.704 0.506 1.00 0.00 C ATOM 0 HA PRO A 32 12.610 1.223 -1.386 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.850 3.945 -1.918 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.204 3.607 -1.418 1.00 0.00 H new ATOM 0 HG2 PRO A 32 13.927 4.680 0.313 1.00 0.00 H new ATOM 0 HG3 PRO A 32 12.772 3.480 0.858 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.708 3.118 0.220 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.793 2.478 1.571 1.00 0.00 H new ATOM 418 N SER A 33 15.264 0.983 -2.846 1.00 0.00 N ATOM 419 CA SER A 33 15.956 0.803 -4.103 1.00 0.00 C ATOM 420 C SER A 33 15.596 -0.538 -4.762 1.00 0.00 C ATOM 421 O SER A 33 15.329 -0.578 -5.961 1.00 0.00 O ATOM 422 CB SER A 33 17.469 0.952 -3.891 1.00 0.00 C ATOM 423 OG SER A 33 18.191 0.782 -5.099 1.00 0.00 O ATOM 0 H SER A 33 15.741 0.588 -2.035 1.00 0.00 H new ATOM 0 HA SER A 33 15.630 1.580 -4.794 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.682 1.937 -3.476 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.807 0.218 -3.160 1.00 0.00 H new ATOM 0 HG SER A 33 19.150 0.885 -4.924 1.00 0.00 H new ATOM 429 N ASP A 34 15.551 -1.633 -3.993 1.00 0.00 N ATOM 430 CA ASP A 34 15.269 -2.947 -4.599 1.00 0.00 C ATOM 431 C ASP A 34 13.980 -3.577 -4.063 1.00 0.00 C ATOM 432 O ASP A 34 13.966 -4.768 -3.744 1.00 0.00 O ATOM 433 CB ASP A 34 16.419 -3.946 -4.377 1.00 0.00 C ATOM 434 CG ASP A 34 17.769 -3.423 -4.829 1.00 0.00 C ATOM 435 OD1 ASP A 34 17.952 -3.184 -6.040 1.00 0.00 O ATOM 436 OD2 ASP A 34 18.666 -3.266 -3.973 1.00 0.00 O ATOM 0 H ASP A 34 15.700 -1.643 -2.984 1.00 0.00 H new ATOM 0 HA ASP A 34 15.155 -2.748 -5.665 1.00 0.00 H new ATOM 0 HB2 ASP A 34 16.472 -4.198 -3.318 1.00 0.00 H new ATOM 0 HB3 ASP A 34 16.197 -4.869 -4.913 1.00 0.00 H new ATOM 441 N ILE A 35 12.894 -2.812 -3.943 1.00 0.00 N ATOM 442 CA ILE A 35 11.628 -3.411 -3.526 1.00 0.00 C ATOM 443 C ILE A 35 10.495 -3.047 -4.481 1.00 0.00 C ATOM 444 O ILE A 35 10.602 -2.104 -5.267 1.00 0.00 O ATOM 445 CB ILE A 35 11.221 -3.021 -2.072 1.00 0.00 C ATOM 446 CG1 ILE A 35 10.243 -1.830 -2.056 1.00 0.00 C ATOM 447 CG2 ILE A 35 12.450 -2.716 -1.222 1.00 0.00 C ATOM 448 CD1 ILE A 35 9.768 -1.460 -0.666 1.00 0.00 C ATOM 0 H ILE A 35 12.864 -1.808 -4.122 1.00 0.00 H new ATOM 0 HA ILE A 35 11.792 -4.488 -3.551 1.00 0.00 H new ATOM 0 HB ILE A 35 10.708 -3.879 -1.639 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.728 -0.965 -2.508 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.379 -2.071 -2.675 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.137 -2.447 -0.213 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.091 -3.596 -1.180 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.001 -1.886 -1.664 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.083 -0.615 -0.729 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.254 -2.311 -0.219 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.625 -1.188 -0.049 1.00 0.00 H new ATOM 460 N GLU A 36 9.419 -3.817 -4.399 1.00 0.00 N ATOM 461 CA GLU A 36 8.228 -3.598 -5.205 1.00 0.00 C ATOM 462 C GLU A 36 6.982 -3.609 -4.321 1.00 0.00 C ATOM 463 O GLU A 36 6.686 -4.616 -3.680 1.00 0.00 O ATOM 464 CB GLU A 36 8.101 -4.685 -6.273 1.00 0.00 C ATOM 465 CG GLU A 36 9.120 -4.569 -7.407 1.00 0.00 C ATOM 466 CD GLU A 36 9.089 -5.768 -8.332 1.00 0.00 C ATOM 467 OE1 GLU A 36 9.907 -6.696 -8.140 1.00 0.00 O ATOM 468 OE2 GLU A 36 8.233 -5.805 -9.238 1.00 0.00 O ATOM 0 H GLU A 36 9.348 -4.615 -3.768 1.00 0.00 H new ATOM 0 HA GLU A 36 8.317 -2.626 -5.691 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.211 -5.660 -5.798 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.097 -4.648 -6.696 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.920 -3.664 -7.981 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.120 -4.464 -6.985 1.00 0.00 H new ATOM 475 N VAL A 37 6.269 -2.491 -4.277 1.00 0.00 N ATOM 476 CA VAL A 37 5.043 -2.381 -3.486 1.00 0.00 C ATOM 477 C VAL A 37 3.930 -1.721 -4.307 1.00 0.00 C ATOM 478 O VAL A 37 4.157 -0.708 -4.971 1.00 0.00 O ATOM 479 CB VAL A 37 5.275 -1.605 -2.148 1.00 0.00 C ATOM 480 CG1 VAL A 37 6.543 -0.771 -2.218 1.00 0.00 C ATOM 481 CG2 VAL A 37 4.083 -0.726 -1.788 1.00 0.00 C ATOM 0 H VAL A 37 6.518 -1.641 -4.782 1.00 0.00 H new ATOM 0 HA VAL A 37 4.734 -3.393 -3.224 1.00 0.00 H new ATOM 0 HB VAL A 37 5.388 -2.350 -1.361 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.682 -0.241 -1.276 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.398 -1.423 -2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.460 -0.050 -3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.285 -0.205 -0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.916 0.003 -2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.195 -1.347 -1.673 1.00 0.00 H new ATOM 491 N ASP A 38 2.734 -2.308 -4.266 1.00 0.00 N ATOM 492 CA ASP A 38 1.588 -1.778 -5.001 1.00 0.00 C ATOM 493 C ASP A 38 0.345 -1.808 -4.114 1.00 0.00 C ATOM 494 O ASP A 38 0.324 -2.481 -3.082 1.00 0.00 O ATOM 495 CB ASP A 38 1.302 -2.596 -6.281 1.00 0.00 C ATOM 496 CG ASP A 38 2.403 -2.517 -7.320 1.00 0.00 C ATOM 497 OD1 ASP A 38 3.277 -3.412 -7.333 1.00 0.00 O ATOM 498 OD2 ASP A 38 2.378 -1.589 -8.153 1.00 0.00 O ATOM 0 H ASP A 38 2.534 -3.153 -3.730 1.00 0.00 H new ATOM 0 HA ASP A 38 1.829 -0.754 -5.288 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.149 -3.640 -6.007 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.371 -2.244 -6.725 1.00 0.00 H new ATOM 503 N LEU A 39 -0.697 -1.102 -4.539 1.00 0.00 N ATOM 504 CA LEU A 39 -1.966 -1.088 -3.819 1.00 0.00 C ATOM 505 C LEU A 39 -3.010 -1.854 -4.627 1.00 0.00 C ATOM 506 O LEU A 39 -3.189 -1.603 -5.822 1.00 0.00 O ATOM 507 CB LEU A 39 -2.434 0.347 -3.532 1.00 0.00 C ATOM 508 CG LEU A 39 -1.924 0.963 -2.212 1.00 0.00 C ATOM 509 CD1 LEU A 39 -0.417 1.154 -2.224 1.00 0.00 C ATOM 510 CD2 LEU A 39 -2.606 2.289 -1.933 1.00 0.00 C ATOM 0 H LEU A 39 -0.688 -0.529 -5.383 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.829 -1.576 -2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.117 0.985 -4.357 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.524 0.359 -3.521 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.172 0.260 -1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.098 1.590 -1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.071 0.189 -2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.141 1.820 -3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.229 2.702 -0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.397 2.984 -2.747 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.682 2.135 -1.854 1.00 0.00 H new ATOM 522 N LEU A 40 -3.675 -2.805 -3.977 1.00 0.00 N ATOM 523 CA LEU A 40 -4.542 -3.757 -4.659 1.00 0.00 C ATOM 524 C LEU A 40 -5.970 -3.769 -4.116 1.00 0.00 C ATOM 525 O LEU A 40 -6.277 -3.197 -3.070 1.00 0.00 O ATOM 526 CB LEU A 40 -4.007 -5.185 -4.513 1.00 0.00 C ATOM 527 CG LEU A 40 -2.569 -5.455 -4.971 1.00 0.00 C ATOM 528 CD1 LEU A 40 -2.391 -6.952 -5.178 1.00 0.00 C ATOM 529 CD2 LEU A 40 -2.217 -4.706 -6.250 1.00 0.00 C ATOM 0 H LEU A 40 -3.628 -2.936 -2.967 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.553 -3.432 -5.699 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.083 -5.467 -3.463 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.667 -5.850 -5.070 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.893 -5.093 -4.196 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.371 -7.155 -5.504 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.583 -7.474 -4.241 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.091 -7.300 -5.938 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.188 -4.931 -6.532 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.889 -5.017 -7.050 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.322 -3.634 -6.084 1.00 0.00 H new ATOM 541 N LYS A 41 -6.814 -4.469 -4.859 1.00 0.00 N ATOM 542 CA LYS A 41 -8.162 -4.840 -4.453 1.00 0.00 C ATOM 543 C LYS A 41 -8.289 -6.326 -4.643 1.00 0.00 C ATOM 544 O LYS A 41 -8.362 -6.762 -5.786 1.00 0.00 O ATOM 545 CB LYS A 41 -9.235 -4.207 -5.355 1.00 0.00 C ATOM 546 CG LYS A 41 -8.790 -2.910 -6.028 1.00 0.00 C ATOM 547 CD LYS A 41 -9.815 -2.331 -7.029 1.00 0.00 C ATOM 548 CE LYS A 41 -11.178 -1.994 -6.389 1.00 0.00 C ATOM 549 NZ LYS A 41 -11.034 -1.114 -5.202 1.00 0.00 N ATOM 0 H LYS A 41 -6.572 -4.805 -5.791 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.311 -4.507 -3.426 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.519 -4.925 -6.124 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.126 -4.009 -4.759 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.590 -2.165 -5.258 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.850 -3.089 -6.550 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.401 -1.429 -7.479 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.969 -3.048 -7.835 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.814 -1.505 -7.127 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.679 -2.917 -6.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.974 -0.803 -4.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.566 -1.639 -4.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.461 -0.283 -5.453 1.00 0.00 H new ATOM 563 N ASN A 42 -8.340 -7.098 -3.557 1.00 0.00 N ATOM 564 CA ASN A 42 -8.434 -8.563 -3.648 1.00 0.00 C ATOM 565 C ASN A 42 -7.589 -9.115 -4.803 1.00 0.00 C ATOM 566 O ASN A 42 -8.039 -9.953 -5.585 1.00 0.00 O ATOM 567 CB ASN A 42 -9.911 -9.017 -3.754 1.00 0.00 C ATOM 568 CG ASN A 42 -10.755 -8.152 -4.683 1.00 0.00 C ATOM 569 OD1 ASN A 42 -10.995 -8.495 -5.842 1.00 0.00 O ATOM 570 ND2 ASN A 42 -11.183 -7.001 -4.172 1.00 0.00 N ATOM 0 H ASN A 42 -8.318 -6.738 -2.603 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.024 -8.979 -2.728 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.940 -10.048 -4.107 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.357 -9.008 -2.759 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.734 -6.362 -4.745 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.961 -6.758 -3.207 1.00 0.00 H new ATOM 577 N GLY A 43 -6.348 -8.641 -4.872 1.00 0.00 N ATOM 578 CA GLY A 43 -5.438 -9.076 -5.914 1.00 0.00 C ATOM 579 C GLY A 43 -5.586 -8.366 -7.262 1.00 0.00 C ATOM 580 O GLY A 43 -5.200 -8.931 -8.283 1.00 0.00 O ATOM 0 H GLY A 43 -5.956 -7.960 -4.221 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.416 -8.936 -5.561 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.578 -10.146 -6.070 1.00 0.00 H new ATOM 584 N GLU A 44 -6.105 -7.137 -7.292 1.00 0.00 N ATOM 585 CA GLU A 44 -6.165 -6.383 -8.553 1.00 0.00 C ATOM 586 C GLU A 44 -5.380 -5.091 -8.426 1.00 0.00 C ATOM 587 O GLU A 44 -5.578 -4.335 -7.473 1.00 0.00 O ATOM 588 CB GLU A 44 -7.599 -6.045 -8.995 1.00 0.00 C ATOM 589 CG GLU A 44 -7.979 -6.695 -10.300 1.00 0.00 C ATOM 590 CD GLU A 44 -7.816 -8.200 -10.306 1.00 0.00 C ATOM 591 OE1 GLU A 44 -8.757 -8.906 -9.879 1.00 0.00 O ATOM 592 OE2 GLU A 44 -6.759 -8.683 -10.767 1.00 0.00 O ATOM 0 H GLU A 44 -6.483 -6.649 -6.480 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.730 -7.032 -9.313 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.297 -6.362 -8.220 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.699 -4.964 -9.091 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.017 -6.451 -10.528 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.369 -6.270 -11.097 1.00 0.00 H new ATOM 599 N ARG A 45 -4.476 -4.849 -9.368 1.00 0.00 N ATOM 600 CA ARG A 45 -3.709 -3.617 -9.364 1.00 0.00 C ATOM 601 C ARG A 45 -4.626 -2.428 -9.647 1.00 0.00 C ATOM 602 O ARG A 45 -5.154 -2.273 -10.750 1.00 0.00 O ATOM 603 CB ARG A 45 -2.520 -3.677 -10.365 1.00 0.00 C ATOM 604 CG ARG A 45 -1.257 -2.997 -9.844 1.00 0.00 C ATOM 605 CD ARG A 45 -0.101 -2.963 -10.856 1.00 0.00 C ATOM 606 NE ARG A 45 -0.121 -1.764 -11.690 1.00 0.00 N ATOM 607 CZ ARG A 45 0.949 -0.998 -11.926 1.00 0.00 C ATOM 608 NH1 ARG A 45 2.113 -1.264 -11.336 1.00 0.00 N ATOM 609 NH2 ARG A 45 0.841 0.046 -12.739 1.00 0.00 N ATOM 0 H ARG A 45 -4.260 -5.485 -10.136 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.275 -3.487 -8.373 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.296 -4.720 -10.590 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.818 -3.205 -11.301 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.501 -1.975 -9.553 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.923 -3.514 -8.944 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.847 -3.013 -10.321 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.155 -3.846 -11.493 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.006 -1.494 -12.119 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.193 -2.057 -10.699 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.925 -0.675 -11.521 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.054 0.259 -13.179 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.653 0.635 -12.924 1.00 0.00 H new ATOM 623 N ILE A 46 -4.815 -1.612 -8.598 1.00 0.00 N ATOM 624 CA ILE A 46 -5.710 -0.454 -8.616 1.00 0.00 C ATOM 625 C ILE A 46 -5.345 0.507 -9.741 1.00 0.00 C ATOM 626 O ILE A 46 -6.170 0.764 -10.616 1.00 0.00 O ATOM 627 CB ILE A 46 -5.670 0.288 -7.253 1.00 0.00 C ATOM 628 CG1 ILE A 46 -6.106 -0.660 -6.125 1.00 0.00 C ATOM 629 CG2 ILE A 46 -6.553 1.539 -7.278 1.00 0.00 C ATOM 630 CD1 ILE A 46 -6.020 -0.068 -4.737 1.00 0.00 C ATOM 0 H ILE A 46 -4.342 -1.743 -7.704 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.722 -0.820 -8.791 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.645 0.610 -7.068 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.134 -0.974 -6.309 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.487 -1.557 -6.162 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.505 2.038 -6.310 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.200 2.218 -8.054 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.584 1.253 -7.488 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.347 -0.807 -4.005 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.990 0.219 -4.527 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.661 0.811 -4.676 1.00 0.00 H new ATOM 642 N GLU A 47 -4.155 1.119 -9.610 1.00 0.00 N ATOM 643 CA GLU A 47 -3.419 1.780 -10.713 1.00 0.00 C ATOM 644 C GLU A 47 -3.222 3.258 -10.429 1.00 0.00 C ATOM 645 O GLU A 47 -2.224 3.839 -10.854 1.00 0.00 O ATOM 646 CB GLU A 47 -4.079 1.644 -12.089 1.00 0.00 C ATOM 647 CG GLU A 47 -4.057 0.241 -12.670 1.00 0.00 C ATOM 648 CD GLU A 47 -2.905 0.024 -13.619 1.00 0.00 C ATOM 649 OE1 GLU A 47 -3.060 0.302 -14.825 1.00 0.00 O ATOM 650 OE2 GLU A 47 -1.840 -0.429 -13.171 1.00 0.00 O ATOM 0 H GLU A 47 -3.664 1.171 -8.718 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.465 1.255 -10.753 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.115 1.975 -12.014 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.579 2.318 -12.784 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.995 -0.484 -11.858 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.994 0.054 -13.194 1.00 0.00 H new ATOM 657 N LYS A 48 -4.160 3.885 -9.716 1.00 0.00 N ATOM 658 CA LYS A 48 -4.062 5.315 -9.420 1.00 0.00 C ATOM 659 C LYS A 48 -3.109 5.538 -8.252 1.00 0.00 C ATOM 660 O LYS A 48 -3.445 6.229 -7.291 1.00 0.00 O ATOM 661 CB LYS A 48 -5.436 5.897 -9.032 1.00 0.00 C ATOM 662 CG LYS A 48 -6.614 5.486 -9.921 1.00 0.00 C ATOM 663 CD LYS A 48 -6.313 5.690 -11.392 1.00 0.00 C ATOM 664 CE LYS A 48 -7.561 5.488 -12.238 1.00 0.00 C ATOM 665 NZ LYS A 48 -7.296 5.687 -13.686 1.00 0.00 N ATOM 0 H LYS A 48 -4.990 3.429 -9.336 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.696 5.814 -10.318 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.658 5.599 -8.007 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.363 6.985 -9.039 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.855 4.438 -9.742 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.495 6.067 -9.647 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.921 6.695 -11.550 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.538 4.992 -11.708 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.949 4.482 -12.076 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.335 6.184 -11.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.174 5.539 -14.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.951 6.655 -13.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.577 5.006 -14.004 1.00 0.00 H new ATOM 679 N VAL A 49 -1.924 4.965 -8.332 1.00 0.00 N ATOM 680 CA VAL A 49 -0.995 5.013 -7.231 1.00 0.00 C ATOM 681 C VAL A 49 0.316 5.597 -7.733 1.00 0.00 C ATOM 682 O VAL A 49 0.778 5.262 -8.830 1.00 0.00 O ATOM 683 CB VAL A 49 -0.777 3.610 -6.591 1.00 0.00 C ATOM 684 CG1 VAL A 49 0.518 2.966 -7.046 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.809 3.694 -5.079 1.00 0.00 C ATOM 0 H VAL A 49 -1.586 4.461 -9.152 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.407 5.646 -6.445 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.599 2.980 -6.931 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.625 1.990 -6.573 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.503 2.844 -8.129 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.358 3.600 -6.764 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.654 2.701 -4.656 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.019 4.362 -4.735 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.776 4.079 -4.756 1.00 0.00 H new ATOM 695 N GLU A 50 0.885 6.499 -6.965 1.00 0.00 N ATOM 696 CA GLU A 50 2.151 7.108 -7.352 1.00 0.00 C ATOM 697 C GLU A 50 3.048 7.370 -6.145 1.00 0.00 C ATOM 698 O GLU A 50 2.730 8.190 -5.287 1.00 0.00 O ATOM 699 CB GLU A 50 1.921 8.437 -8.111 1.00 0.00 C ATOM 700 CG GLU A 50 1.320 8.324 -9.525 1.00 0.00 C ATOM 701 CD GLU A 50 1.027 9.682 -10.124 1.00 0.00 C ATOM 702 OE1 GLU A 50 1.977 10.480 -10.291 1.00 0.00 O ATOM 703 OE2 GLU A 50 -0.150 9.954 -10.442 1.00 0.00 O ATOM 0 H GLU A 50 0.502 6.828 -6.079 1.00 0.00 H new ATOM 0 HA GLU A 50 2.650 6.396 -8.010 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.263 9.064 -7.509 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.876 8.957 -8.186 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.012 7.784 -10.171 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.401 7.740 -9.483 1.00 0.00 H new ATOM 710 N HIS A 51 4.155 6.640 -6.081 1.00 0.00 N ATOM 711 CA HIS A 51 5.284 7.007 -5.257 1.00 0.00 C ATOM 712 C HIS A 51 6.524 6.555 -5.987 1.00 0.00 C ATOM 713 O HIS A 51 6.697 5.367 -6.259 1.00 0.00 O ATOM 714 CB HIS A 51 5.230 6.377 -3.865 1.00 0.00 C ATOM 715 CG HIS A 51 6.417 6.714 -3.008 1.00 0.00 C ATOM 716 ND1 HIS A 51 7.106 5.745 -2.319 1.00 0.00 N ATOM 717 CD2 HIS A 51 6.986 7.918 -2.761 1.00 0.00 C ATOM 718 CE1 HIS A 51 8.066 6.375 -1.670 1.00 0.00 C ATOM 719 NE2 HIS A 51 8.032 7.692 -1.906 1.00 0.00 N ATOM 0 H HIS A 51 4.288 5.775 -6.604 1.00 0.00 H new ATOM 0 HA HIS A 51 5.278 8.085 -5.097 1.00 0.00 H new ATOM 0 HB2 HIS A 51 4.322 6.707 -3.360 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.162 5.294 -3.967 1.00 0.00 H new ATOM 0 HD1 HIS A 51 6.914 4.743 -2.311 1.00 0.00 H new ATOM 0 HD2 HIS A 51 6.675 8.872 -3.161 1.00 0.00 H new ATOM 0 HE1 HIS A 51 8.788 5.890 -1.030 1.00 0.00 H new ATOM 727 N SER A 52 7.364 7.495 -6.328 1.00 0.00 N ATOM 728 CA SER A 52 8.509 7.192 -7.149 1.00 0.00 C ATOM 729 C SER A 52 9.735 6.994 -6.283 1.00 0.00 C ATOM 730 O SER A 52 10.062 7.830 -5.438 1.00 0.00 O ATOM 731 CB SER A 52 8.745 8.308 -8.168 1.00 0.00 C ATOM 732 OG SER A 52 9.665 7.899 -9.169 1.00 0.00 O ATOM 0 H SER A 52 7.279 8.473 -6.052 1.00 0.00 H new ATOM 0 HA SER A 52 8.315 6.267 -7.692 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.799 8.588 -8.631 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.125 9.194 -7.660 1.00 0.00 H new ATOM 0 HG SER A 52 9.798 8.629 -9.809 1.00 0.00 H new ATOM 738 N ASP A 53 10.388 5.863 -6.490 1.00 0.00 N ATOM 739 CA ASP A 53 11.594 5.527 -5.764 1.00 0.00 C ATOM 740 C ASP A 53 12.683 6.542 -6.067 1.00 0.00 C ATOM 741 O ASP A 53 12.711 7.142 -7.144 1.00 0.00 O ATOM 742 CB ASP A 53 12.050 4.109 -6.117 1.00 0.00 C ATOM 743 CG ASP A 53 12.362 3.928 -7.591 1.00 0.00 C ATOM 744 OD1 ASP A 53 13.554 3.804 -7.939 1.00 0.00 O ATOM 745 OD2 ASP A 53 11.410 3.897 -8.407 1.00 0.00 O ATOM 0 H ASP A 53 10.096 5.156 -7.165 1.00 0.00 H new ATOM 0 HA ASP A 53 11.386 5.557 -4.694 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.937 3.864 -5.532 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.272 3.402 -5.828 1.00 0.00 H new ATOM 750 N LEU A 54 13.566 6.736 -5.102 1.00 0.00 N ATOM 751 CA LEU A 54 14.544 7.828 -5.166 1.00 0.00 C ATOM 752 C LEU A 54 15.721 7.440 -6.057 1.00 0.00 C ATOM 753 O LEU A 54 15.681 6.421 -6.746 1.00 0.00 O ATOM 754 CB LEU A 54 15.074 8.261 -3.764 1.00 0.00 C ATOM 755 CG LEU A 54 14.392 7.680 -2.496 1.00 0.00 C ATOM 756 CD1 LEU A 54 12.880 7.892 -2.491 1.00 0.00 C ATOM 757 CD2 LEU A 54 14.736 6.206 -2.305 1.00 0.00 C ATOM 0 H LEU A 54 13.632 6.158 -4.264 1.00 0.00 H new ATOM 0 HA LEU A 54 14.017 8.682 -5.591 1.00 0.00 H new ATOM 0 HB2 LEU A 54 16.132 8.004 -3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 54 15.007 9.347 -3.707 1.00 0.00 H new ATOM 0 HG LEU A 54 14.793 8.237 -1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 54 12.456 7.466 -1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 54 12.662 8.959 -2.528 1.00 0.00 H new ATOM 0 HD13 LEU A 54 12.441 7.402 -3.360 1.00 0.00 H new ATOM 0 HD21 LEU A 54 14.243 5.830 -1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 54 14.397 5.638 -3.171 1.00 0.00 H new ATOM 0 HD23 LEU A 54 15.815 6.095 -2.199 1.00 0.00 H new ATOM 769 N SER A 55 16.777 8.238 -6.018 1.00 0.00 N ATOM 770 CA SER A 55 17.939 7.996 -6.855 1.00 0.00 C ATOM 771 C SER A 55 18.818 6.941 -6.192 1.00 0.00 C ATOM 772 O SER A 55 19.134 5.912 -6.793 1.00 0.00 O ATOM 773 CB SER A 55 18.718 9.301 -7.073 1.00 0.00 C ATOM 774 OG SER A 55 19.825 9.117 -7.939 1.00 0.00 O ATOM 0 H SER A 55 16.852 9.058 -5.416 1.00 0.00 H new ATOM 0 HA SER A 55 17.620 7.631 -7.831 1.00 0.00 H new ATOM 0 HB2 SER A 55 18.052 10.056 -7.491 1.00 0.00 H new ATOM 0 HB3 SER A 55 19.067 9.680 -6.113 1.00 0.00 H new ATOM 0 HG SER A 55 20.295 9.969 -8.055 1.00 0.00 H new ATOM 780 N PHE A 56 19.156 7.191 -4.931 1.00 0.00 N ATOM 781 CA PHE A 56 19.934 6.268 -4.110 1.00 0.00 C ATOM 782 C PHE A 56 19.821 6.672 -2.650 1.00 0.00 C ATOM 783 O PHE A 56 19.953 7.852 -2.312 1.00 0.00 O ATOM 784 CB PHE A 56 21.414 6.236 -4.519 1.00 0.00 C ATOM 785 CG PHE A 56 21.728 5.227 -5.589 1.00 0.00 C ATOM 786 CD1 PHE A 56 21.470 3.881 -5.385 1.00 0.00 C ATOM 787 CD2 PHE A 56 22.282 5.622 -6.794 1.00 0.00 C ATOM 788 CE1 PHE A 56 21.758 2.949 -6.362 1.00 0.00 C ATOM 789 CE2 PHE A 56 22.572 4.694 -7.775 1.00 0.00 C ATOM 790 CZ PHE A 56 22.310 3.356 -7.560 1.00 0.00 C ATOM 0 H PHE A 56 18.895 8.049 -4.445 1.00 0.00 H new ATOM 0 HA PHE A 56 19.528 5.268 -4.261 1.00 0.00 H new ATOM 0 HB2 PHE A 56 21.705 7.226 -4.870 1.00 0.00 H new ATOM 0 HB3 PHE A 56 22.020 6.019 -3.639 1.00 0.00 H new ATOM 0 HD1 PHE A 56 21.038 3.557 -4.450 1.00 0.00 H new ATOM 0 HD2 PHE A 56 22.490 6.667 -6.969 1.00 0.00 H new ATOM 0 HE1 PHE A 56 21.552 1.903 -6.189 1.00 0.00 H new ATOM 0 HE2 PHE A 56 23.004 5.016 -8.711 1.00 0.00 H new ATOM 0 HZ PHE A 56 22.536 2.630 -8.327 1.00 0.00 H new ATOM 800 N SER A 57 19.582 5.703 -1.790 1.00 0.00 N ATOM 801 CA SER A 57 19.397 5.970 -0.377 1.00 0.00 C ATOM 802 C SER A 57 20.745 6.121 0.321 1.00 0.00 C ATOM 803 O SER A 57 21.486 5.150 0.478 1.00 0.00 O ATOM 804 CB SER A 57 18.592 4.840 0.263 1.00 0.00 C ATOM 805 OG SER A 57 17.368 4.641 -0.424 1.00 0.00 O ATOM 0 H SER A 57 19.511 4.718 -2.046 1.00 0.00 H new ATOM 0 HA SER A 57 18.848 6.905 -0.266 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.175 3.919 0.250 1.00 0.00 H new ATOM 0 HB3 SER A 57 18.393 5.076 1.308 1.00 0.00 H new ATOM 0 HG SER A 57 16.641 5.076 0.069 1.00 0.00 H new ATOM 811 N LYS A 58 21.059 7.344 0.730 1.00 0.00 N ATOM 812 CA LYS A 58 22.311 7.621 1.426 1.00 0.00 C ATOM 813 C LYS A 58 22.094 7.475 2.925 1.00 0.00 C ATOM 814 O LYS A 58 23.039 7.417 3.710 1.00 0.00 O ATOM 815 CB LYS A 58 22.806 9.048 1.138 1.00 0.00 C ATOM 816 CG LYS A 58 22.558 9.550 -0.279 1.00 0.00 C ATOM 817 CD LYS A 58 23.215 8.681 -1.336 1.00 0.00 C ATOM 818 CE LYS A 58 23.166 9.348 -2.705 1.00 0.00 C ATOM 819 NZ LYS A 58 21.790 9.785 -3.075 1.00 0.00 N ATOM 0 H LYS A 58 20.464 8.161 0.592 1.00 0.00 H new ATOM 0 HA LYS A 58 23.060 6.912 1.072 1.00 0.00 H new ATOM 0 HB2 LYS A 58 22.323 9.730 1.837 1.00 0.00 H new ATOM 0 HB3 LYS A 58 23.876 9.091 1.339 1.00 0.00 H new ATOM 0 HG2 LYS A 58 21.484 9.588 -0.463 1.00 0.00 H new ATOM 0 HG3 LYS A 58 22.933 10.569 -0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 58 24.251 8.488 -1.059 1.00 0.00 H new ATOM 0 HD3 LYS A 58 22.712 7.715 -1.381 1.00 0.00 H new ATOM 0 HE2 LYS A 58 23.832 10.211 -2.710 1.00 0.00 H new ATOM 0 HE3 LYS A 58 23.539 8.654 -3.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 21.686 9.767 -4.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 21.094 9.142 -2.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 21.628 10.752 -2.728 1.00 0.00 H new ATOM 833 N ASP A 59 20.828 7.374 3.301 1.00 0.00 N ATOM 834 CA ASP A 59 20.425 7.398 4.698 1.00 0.00 C ATOM 835 C ASP A 59 18.968 6.973 4.815 1.00 0.00 C ATOM 836 O ASP A 59 18.633 6.152 5.673 1.00 0.00 O ATOM 837 CB ASP A 59 20.625 8.798 5.314 1.00 0.00 C ATOM 838 CG ASP A 59 19.727 9.860 4.703 1.00 0.00 C ATOM 839 OD1 ASP A 59 20.115 10.456 3.673 1.00 0.00 O ATOM 840 OD2 ASP A 59 18.625 10.097 5.239 1.00 0.00 O ATOM 0 H ASP A 59 20.052 7.273 2.647 1.00 0.00 H new ATOM 0 HA ASP A 59 21.053 6.700 5.251 1.00 0.00 H new ATOM 0 HB2 ASP A 59 20.435 8.745 6.386 1.00 0.00 H new ATOM 0 HB3 ASP A 59 21.666 9.097 5.189 1.00 0.00 H new ATOM 845 N TRP A 60 18.120 7.496 3.922 1.00 0.00 N ATOM 846 CA TRP A 60 16.691 7.192 3.935 1.00 0.00 C ATOM 847 C TRP A 60 16.129 7.380 5.348 1.00 0.00 C ATOM 848 O TRP A 60 15.595 6.460 5.972 1.00 0.00 O ATOM 849 CB TRP A 60 16.460 5.769 3.383 1.00 0.00 C ATOM 850 CG TRP A 60 15.038 5.298 3.438 1.00 0.00 C ATOM 851 CD1 TRP A 60 13.941 5.835 2.793 1.00 0.00 C ATOM 852 CD2 TRP A 60 14.555 4.173 4.189 1.00 0.00 C ATOM 853 NE1 TRP A 60 12.824 5.112 3.121 1.00 0.00 N ATOM 854 CE2 TRP A 60 13.174 4.104 3.966 1.00 0.00 C ATOM 855 CE3 TRP A 60 15.149 3.215 5.037 1.00 0.00 C ATOM 856 CZ2 TRP A 60 12.370 3.143 4.543 1.00 0.00 C ATOM 857 CZ3 TRP A 60 14.340 2.252 5.613 1.00 0.00 C ATOM 858 CH2 TRP A 60 12.963 2.222 5.364 1.00 0.00 C ATOM 0 H TRP A 60 18.404 8.135 3.179 1.00 0.00 H new ATOM 0 HA TRP A 60 16.152 7.882 3.286 1.00 0.00 H new ATOM 0 HB2 TRP A 60 16.799 5.736 2.348 1.00 0.00 H new ATOM 0 HB3 TRP A 60 17.081 5.071 3.944 1.00 0.00 H new ATOM 0 HD1 TRP A 60 13.960 6.690 2.134 1.00 0.00 H new ATOM 0 HE1 TRP A 60 11.879 5.300 2.785 1.00 0.00 H new ATOM 0 HE3 TRP A 60 16.211 3.233 5.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 11.307 3.118 4.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 14.778 1.511 6.265 1.00 0.00 H new ATOM 0 HH2 TRP A 60 12.357 1.458 5.828 1.00 0.00 H new ATOM 869 N SER A 61 16.303 8.583 5.868 1.00 0.00 N ATOM 870 CA SER A 61 15.723 8.955 7.141 1.00 0.00 C ATOM 871 C SER A 61 14.275 9.420 6.924 1.00 0.00 C ATOM 872 O SER A 61 13.933 10.581 7.151 1.00 0.00 O ATOM 873 CB SER A 61 16.583 10.040 7.813 1.00 0.00 C ATOM 874 OG SER A 61 16.041 10.452 9.058 1.00 0.00 O ATOM 0 H SER A 61 16.846 9.322 5.422 1.00 0.00 H new ATOM 0 HA SER A 61 15.704 8.095 7.810 1.00 0.00 H new ATOM 0 HB2 SER A 61 17.593 9.659 7.965 1.00 0.00 H new ATOM 0 HB3 SER A 61 16.664 10.901 7.150 1.00 0.00 H new ATOM 0 HG SER A 61 15.139 10.809 8.920 1.00 0.00 H new ATOM 880 N PHE A 62 13.442 8.486 6.453 1.00 0.00 N ATOM 881 CA PHE A 62 12.013 8.707 6.243 1.00 0.00 C ATOM 882 C PHE A 62 11.365 7.397 5.826 1.00 0.00 C ATOM 883 O PHE A 62 12.039 6.505 5.339 1.00 0.00 O ATOM 884 CB PHE A 62 11.711 9.824 5.225 1.00 0.00 C ATOM 885 CG PHE A 62 12.287 9.674 3.837 1.00 0.00 C ATOM 886 CD1 PHE A 62 11.526 9.143 2.806 1.00 0.00 C ATOM 887 CD2 PHE A 62 13.564 10.123 3.550 1.00 0.00 C ATOM 888 CE1 PHE A 62 12.036 9.062 1.522 1.00 0.00 C ATOM 889 CE2 PHE A 62 14.082 10.034 2.275 1.00 0.00 C ATOM 890 CZ PHE A 62 13.317 9.505 1.259 1.00 0.00 C ATOM 0 H PHE A 62 13.748 7.545 6.205 1.00 0.00 H new ATOM 0 HA PHE A 62 11.589 9.051 7.186 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.628 9.912 5.133 1.00 0.00 H new ATOM 0 HB3 PHE A 62 12.073 10.765 5.640 1.00 0.00 H new ATOM 0 HD1 PHE A 62 10.526 8.789 3.007 1.00 0.00 H new ATOM 0 HD2 PHE A 62 14.166 10.551 4.338 1.00 0.00 H new ATOM 0 HE1 PHE A 62 11.432 8.652 0.726 1.00 0.00 H new ATOM 0 HE2 PHE A 62 15.086 10.378 2.074 1.00 0.00 H new ATOM 0 HZ PHE A 62 13.718 9.437 0.259 1.00 0.00 H new ATOM 900 N TYR A 63 10.072 7.266 6.064 1.00 0.00 N ATOM 901 CA TYR A 63 9.366 6.006 5.836 1.00 0.00 C ATOM 902 C TYR A 63 8.923 5.834 4.375 1.00 0.00 C ATOM 903 O TYR A 63 8.988 6.770 3.577 1.00 0.00 O ATOM 904 CB TYR A 63 8.169 5.926 6.805 1.00 0.00 C ATOM 905 CG TYR A 63 6.990 6.850 6.465 1.00 0.00 C ATOM 906 CD1 TYR A 63 5.697 6.558 6.903 1.00 0.00 C ATOM 907 CD2 TYR A 63 7.167 8.010 5.711 1.00 0.00 C ATOM 908 CE1 TYR A 63 4.628 7.393 6.598 1.00 0.00 C ATOM 909 CE2 TYR A 63 6.105 8.841 5.403 1.00 0.00 C ATOM 910 CZ TYR A 63 4.843 8.529 5.849 1.00 0.00 C ATOM 911 OH TYR A 63 3.791 9.364 5.551 1.00 0.00 O ATOM 0 H TYR A 63 9.482 8.019 6.417 1.00 0.00 H new ATOM 0 HA TYR A 63 10.052 5.182 6.033 1.00 0.00 H new ATOM 0 HB2 TYR A 63 7.809 4.897 6.828 1.00 0.00 H new ATOM 0 HB3 TYR A 63 8.519 6.164 7.810 1.00 0.00 H new ATOM 0 HD1 TYR A 63 5.524 5.668 7.489 1.00 0.00 H new ATOM 0 HD2 TYR A 63 8.156 8.265 5.360 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.634 7.152 6.946 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.267 9.732 4.814 1.00 0.00 H new ATOM 0 HH TYR A 63 4.114 10.119 5.017 1.00 0.00 H new ATOM 921 N LEU A 64 8.480 4.622 4.040 1.00 0.00 N ATOM 922 CA LEU A 64 7.973 4.323 2.704 1.00 0.00 C ATOM 923 C LEU A 64 6.457 4.241 2.740 1.00 0.00 C ATOM 924 O LEU A 64 5.883 3.474 3.517 1.00 0.00 O ATOM 925 CB LEU A 64 8.519 2.967 2.228 1.00 0.00 C ATOM 926 CG LEU A 64 9.794 2.990 1.378 1.00 0.00 C ATOM 927 CD1 LEU A 64 10.401 1.598 1.302 1.00 0.00 C ATOM 928 CD2 LEU A 64 9.484 3.493 -0.025 1.00 0.00 C ATOM 0 H LEU A 64 8.463 3.829 4.681 1.00 0.00 H new ATOM 0 HA LEU A 64 8.293 5.113 2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.709 2.351 3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.738 2.470 1.653 1.00 0.00 H new ATOM 0 HG LEU A 64 10.510 3.665 1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.306 1.628 0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.649 1.254 2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.684 0.913 0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.399 3.504 -0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.755 2.833 -0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.076 4.502 0.032 1.00 0.00 H new ATOM 940 N LEU A 65 5.823 5.049 1.907 1.00 0.00 N ATOM 941 CA LEU A 65 4.375 5.048 1.764 1.00 0.00 C ATOM 942 C LEU A 65 3.972 5.394 0.326 1.00 0.00 C ATOM 943 O LEU A 65 4.611 6.216 -0.323 1.00 0.00 O ATOM 944 CB LEU A 65 3.773 6.073 2.731 1.00 0.00 C ATOM 945 CG LEU A 65 2.272 6.336 2.588 1.00 0.00 C ATOM 946 CD1 LEU A 65 1.472 5.083 2.888 1.00 0.00 C ATOM 947 CD2 LEU A 65 1.843 7.474 3.502 1.00 0.00 C ATOM 0 H LEU A 65 6.298 5.726 1.309 1.00 0.00 H new ATOM 0 HA LEU A 65 3.997 4.052 1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.967 5.738 3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.300 7.018 2.601 1.00 0.00 H new ATOM 0 HG LEU A 65 2.074 6.625 1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.408 5.296 2.780 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.757 4.294 2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.675 4.757 3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.773 7.648 3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.060 7.211 4.537 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.388 8.380 3.236 1.00 0.00 H new ATOM 959 N TYR A 66 2.903 4.769 -0.148 1.00 0.00 N ATOM 960 CA TYR A 66 2.347 5.029 -1.476 1.00 0.00 C ATOM 961 C TYR A 66 0.898 5.491 -1.297 1.00 0.00 C ATOM 962 O TYR A 66 0.315 5.251 -0.240 1.00 0.00 O ATOM 963 CB TYR A 66 2.398 3.751 -2.340 1.00 0.00 C ATOM 964 CG TYR A 66 3.801 3.361 -2.798 1.00 0.00 C ATOM 965 CD1 TYR A 66 4.121 3.323 -4.152 1.00 0.00 C ATOM 966 CD2 TYR A 66 4.805 3.039 -1.885 1.00 0.00 C ATOM 967 CE1 TYR A 66 5.388 2.976 -4.583 1.00 0.00 C ATOM 968 CE2 TYR A 66 6.078 2.692 -2.315 1.00 0.00 C ATOM 969 CZ TYR A 66 6.360 2.663 -3.663 1.00 0.00 C ATOM 970 OH TYR A 66 7.622 2.317 -4.095 1.00 0.00 O ATOM 0 H TYR A 66 2.391 4.062 0.379 1.00 0.00 H new ATOM 0 HA TYR A 66 2.929 5.798 -1.984 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.971 2.925 -1.772 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.768 3.894 -3.218 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.364 3.570 -4.881 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.588 3.060 -0.827 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.613 2.951 -5.639 1.00 0.00 H new ATOM 0 HE2 TYR A 66 6.845 2.446 -1.595 1.00 0.00 H new ATOM 0 HH TYR A 66 8.192 2.126 -3.321 1.00 0.00 H new ATOM 980 N TYR A 67 0.299 6.138 -2.298 1.00 0.00 N ATOM 981 CA TYR A 67 -1.060 6.662 -2.119 1.00 0.00 C ATOM 982 C TYR A 67 -1.933 6.463 -3.362 1.00 0.00 C ATOM 983 O TYR A 67 -1.481 6.669 -4.489 1.00 0.00 O ATOM 984 CB TYR A 67 -1.048 8.145 -1.690 1.00 0.00 C ATOM 985 CG TYR A 67 -0.165 9.071 -2.517 1.00 0.00 C ATOM 986 CD1 TYR A 67 -0.620 9.641 -3.702 1.00 0.00 C ATOM 987 CD2 TYR A 67 1.122 9.391 -2.094 1.00 0.00 C ATOM 988 CE1 TYR A 67 0.181 10.493 -4.441 1.00 0.00 C ATOM 989 CE2 TYR A 67 1.928 10.242 -2.828 1.00 0.00 C ATOM 990 CZ TYR A 67 1.450 10.789 -4.000 1.00 0.00 C ATOM 991 OH TYR A 67 2.245 11.638 -4.734 1.00 0.00 O ATOM 0 H TYR A 67 0.715 6.309 -3.214 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.507 6.080 -1.313 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.070 8.522 -1.726 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.725 8.200 -0.650 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.617 9.414 -4.051 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.498 8.967 -1.175 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.188 10.924 -5.360 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.925 10.477 -2.486 1.00 0.00 H new ATOM 0 HH TYR A 67 3.110 11.745 -4.286 1.00 0.00 H new ATOM 1001 N THR A 68 -3.182 6.045 -3.137 1.00 0.00 N ATOM 1002 CA THR A 68 -4.151 5.842 -4.213 1.00 0.00 C ATOM 1003 C THR A 68 -5.548 6.270 -3.741 1.00 0.00 C ATOM 1004 O THR A 68 -5.887 6.122 -2.562 1.00 0.00 O ATOM 1005 CB THR A 68 -4.181 4.361 -4.689 1.00 0.00 C ATOM 1006 OG1 THR A 68 -4.660 4.289 -6.034 1.00 0.00 O ATOM 1007 CG2 THR A 68 -5.078 3.497 -3.822 1.00 0.00 C ATOM 0 H THR A 68 -3.547 5.839 -2.207 1.00 0.00 H new ATOM 0 HA THR A 68 -3.845 6.456 -5.060 1.00 0.00 H new ATOM 0 HB THR A 68 -3.160 3.987 -4.617 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.541 5.158 -6.471 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.066 2.472 -4.194 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.716 3.514 -2.794 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.097 3.883 -3.855 1.00 0.00 H new ATOM 1015 N GLU A 69 -6.322 6.853 -4.653 1.00 0.00 N ATOM 1016 CA GLU A 69 -7.708 7.250 -4.379 1.00 0.00 C ATOM 1017 C GLU A 69 -8.611 6.023 -4.237 1.00 0.00 C ATOM 1018 O GLU A 69 -8.511 5.088 -5.033 1.00 0.00 O ATOM 1019 CB GLU A 69 -8.231 8.123 -5.529 1.00 0.00 C ATOM 1020 CG GLU A 69 -9.385 9.039 -5.130 1.00 0.00 C ATOM 1021 CD GLU A 69 -9.713 10.056 -6.199 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -9.568 11.270 -5.937 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -10.108 9.650 -7.311 1.00 0.00 O ATOM 0 H GLU A 69 -6.011 7.065 -5.601 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.723 7.809 -3.444 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.412 8.732 -5.913 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.557 7.477 -6.344 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.269 8.436 -4.924 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.130 9.558 -4.206 1.00 0.00 H new ATOM 1030 N PHE A 70 -9.492 6.018 -3.235 1.00 0.00 N ATOM 1031 CA PHE A 70 -10.408 4.896 -3.046 1.00 0.00 C ATOM 1032 C PHE A 70 -11.816 5.372 -2.708 1.00 0.00 C ATOM 1033 O PHE A 70 -12.017 6.535 -2.369 1.00 0.00 O ATOM 1034 CB PHE A 70 -9.887 3.971 -1.932 1.00 0.00 C ATOM 1035 CG PHE A 70 -9.998 4.503 -0.518 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -8.876 4.611 0.280 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -11.220 4.880 0.013 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -8.979 5.082 1.581 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -11.321 5.353 1.299 1.00 0.00 C ATOM 1040 CZ PHE A 70 -10.205 5.452 2.081 1.00 0.00 C ATOM 0 H PHE A 70 -9.589 6.768 -2.551 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.456 4.345 -3.985 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -10.430 3.028 -1.987 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.839 3.748 -2.133 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.911 4.327 -0.112 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -12.109 4.801 -0.594 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.097 5.158 2.200 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -12.283 5.647 1.692 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.286 5.821 3.093 1.00 0.00 H new ATOM 1050 N THR A 71 -12.785 4.474 -2.844 1.00 0.00 N ATOM 1051 CA THR A 71 -14.111 4.665 -2.266 1.00 0.00 C ATOM 1052 C THR A 71 -14.672 3.323 -1.756 1.00 0.00 C ATOM 1053 O THR A 71 -14.954 2.431 -2.560 1.00 0.00 O ATOM 1054 CB THR A 71 -15.054 5.283 -3.323 1.00 0.00 C ATOM 1055 OG1 THR A 71 -14.472 6.495 -3.825 1.00 0.00 O ATOM 1056 CG2 THR A 71 -16.425 5.589 -2.744 1.00 0.00 C ATOM 0 H THR A 71 -12.675 3.598 -3.355 1.00 0.00 H new ATOM 0 HA THR A 71 -14.037 5.346 -1.418 1.00 0.00 H new ATOM 0 HB THR A 71 -15.181 4.557 -4.126 1.00 0.00 H new ATOM 0 HG1 THR A 71 -15.066 6.889 -4.497 1.00 0.00 H new ATOM 0 HG21 THR A 71 -17.058 6.022 -3.518 1.00 0.00 H new ATOM 0 HG22 THR A 71 -16.879 4.668 -2.377 1.00 0.00 H new ATOM 0 HG23 THR A 71 -16.323 6.296 -1.921 1.00 0.00 H new ATOM 1064 N PRO A 72 -14.820 3.131 -0.413 1.00 0.00 N ATOM 1065 CA PRO A 72 -15.274 1.849 0.128 1.00 0.00 C ATOM 1066 C PRO A 72 -16.739 1.579 -0.142 1.00 0.00 C ATOM 1067 O PRO A 72 -17.589 2.466 -0.075 1.00 0.00 O ATOM 1068 CB PRO A 72 -15.019 1.928 1.641 1.00 0.00 C ATOM 1069 CG PRO A 72 -14.549 3.324 1.939 1.00 0.00 C ATOM 1070 CD PRO A 72 -14.567 4.126 0.658 1.00 0.00 C ATOM 0 HA PRO A 72 -14.736 1.030 -0.350 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -15.929 1.701 2.197 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.270 1.197 1.944 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.194 3.789 2.685 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.543 3.303 2.357 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.346 4.889 0.680 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.620 4.642 0.502 1.00 0.00 H new ATOM 1078 N THR A 73 -16.990 0.326 -0.447 1.00 0.00 N ATOM 1079 CA THR A 73 -18.314 -0.185 -0.727 1.00 0.00 C ATOM 1080 C THR A 73 -18.500 -1.439 0.117 1.00 0.00 C ATOM 1081 O THR A 73 -17.541 -1.901 0.723 1.00 0.00 O ATOM 1082 CB THR A 73 -18.450 -0.541 -2.228 1.00 0.00 C ATOM 1083 OG1 THR A 73 -17.619 -1.671 -2.528 1.00 0.00 O ATOM 1084 CG2 THR A 73 -18.040 0.634 -3.102 1.00 0.00 C ATOM 0 H THR A 73 -16.261 -0.385 -0.509 1.00 0.00 H new ATOM 0 HA THR A 73 -19.069 0.564 -0.490 1.00 0.00 H new ATOM 0 HB THR A 73 -19.493 -0.780 -2.434 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.842 -1.377 -3.047 1.00 0.00 H new ATOM 0 HG21 THR A 73 -18.144 0.360 -4.152 1.00 0.00 H new ATOM 0 HG22 THR A 73 -18.680 1.489 -2.885 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.002 0.896 -2.896 1.00 0.00 H new ATOM 1092 N GLU A 74 -19.701 -1.980 0.183 1.00 0.00 N ATOM 1093 CA GLU A 74 -19.919 -3.275 0.816 1.00 0.00 C ATOM 1094 C GLU A 74 -19.193 -4.413 0.054 1.00 0.00 C ATOM 1095 O GLU A 74 -19.123 -5.545 0.527 1.00 0.00 O ATOM 1096 CB GLU A 74 -21.439 -3.516 0.919 1.00 0.00 C ATOM 1097 CG GLU A 74 -21.844 -4.958 1.160 1.00 0.00 C ATOM 1098 CD GLU A 74 -21.365 -5.512 2.487 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -21.283 -4.743 3.465 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -21.098 -6.732 2.561 1.00 0.00 O ATOM 0 H GLU A 74 -20.544 -1.546 -0.193 1.00 0.00 H new ATOM 0 HA GLU A 74 -19.490 -3.273 1.818 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -21.835 -2.903 1.729 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -21.910 -3.171 -0.002 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -22.931 -5.033 1.116 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -21.449 -5.577 0.354 1.00 0.00 H new ATOM 1107 N LYS A 75 -18.594 -4.108 -1.094 1.00 0.00 N ATOM 1108 CA LYS A 75 -18.018 -5.154 -1.942 1.00 0.00 C ATOM 1109 C LYS A 75 -16.478 -5.160 -2.016 1.00 0.00 C ATOM 1110 O LYS A 75 -15.885 -6.236 -2.060 1.00 0.00 O ATOM 1111 CB LYS A 75 -18.583 -5.059 -3.374 1.00 0.00 C ATOM 1112 CG LYS A 75 -20.083 -5.345 -3.539 1.00 0.00 C ATOM 1113 CD LYS A 75 -20.402 -6.843 -3.534 1.00 0.00 C ATOM 1114 CE LYS A 75 -20.701 -7.366 -2.138 1.00 0.00 C ATOM 1115 NZ LYS A 75 -20.513 -8.835 -2.031 1.00 0.00 N ATOM 0 H LYS A 75 -18.494 -3.160 -1.457 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.308 -6.088 -1.461 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -18.383 -4.057 -3.754 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -18.031 -5.756 -4.005 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.633 -4.858 -2.734 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.432 -4.906 -4.474 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -21.259 -7.032 -4.181 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -19.559 -7.393 -3.952 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -20.052 -6.866 -1.419 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -21.727 -7.113 -1.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -20.729 -9.143 -1.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -21.151 -9.316 -2.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -19.528 -9.076 -2.260 1.00 0.00 H new ATOM 1129 N ASP A 76 -15.814 -4.004 -2.030 1.00 0.00 N ATOM 1130 CA ASP A 76 -14.403 -3.973 -2.414 1.00 0.00 C ATOM 1131 C ASP A 76 -13.444 -4.043 -1.208 1.00 0.00 C ATOM 1132 O ASP A 76 -13.585 -3.299 -0.233 1.00 0.00 O ATOM 1133 CB ASP A 76 -14.101 -2.718 -3.237 1.00 0.00 C ATOM 1134 CG ASP A 76 -15.055 -2.523 -4.397 1.00 0.00 C ATOM 1135 OD1 ASP A 76 -14.997 -3.312 -5.358 1.00 0.00 O ATOM 1136 OD2 ASP A 76 -15.844 -1.561 -4.366 1.00 0.00 O ATOM 0 H ASP A 76 -16.217 -3.099 -1.787 1.00 0.00 H new ATOM 0 HA ASP A 76 -14.230 -4.866 -3.015 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.147 -1.845 -2.586 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -13.082 -2.778 -3.619 1.00 0.00 H new ATOM 1141 N GLU A 77 -12.462 -4.936 -1.315 1.00 0.00 N ATOM 1142 CA GLU A 77 -11.398 -5.126 -0.317 1.00 0.00 C ATOM 1143 C GLU A 77 -10.154 -4.367 -0.776 1.00 0.00 C ATOM 1144 O GLU A 77 -9.931 -4.222 -1.980 1.00 0.00 O ATOM 1145 CB GLU A 77 -11.054 -6.617 -0.222 1.00 0.00 C ATOM 1146 CG GLU A 77 -9.980 -6.965 0.803 1.00 0.00 C ATOM 1147 CD GLU A 77 -9.636 -8.433 0.767 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -8.977 -8.864 -0.201 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -10.040 -9.168 1.690 1.00 0.00 O ATOM 0 H GLU A 77 -12.377 -5.564 -2.114 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.732 -4.759 0.654 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.961 -7.169 0.023 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.725 -6.962 -1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.084 -6.376 0.607 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.327 -6.696 1.801 1.00 0.00 H new ATOM 1156 N TYR A 78 -9.353 -3.876 0.158 1.00 0.00 N ATOM 1157 CA TYR A 78 -8.106 -3.199 -0.202 1.00 0.00 C ATOM 1158 C TYR A 78 -6.896 -3.891 0.417 1.00 0.00 C ATOM 1159 O TYR A 78 -6.892 -4.204 1.608 1.00 0.00 O ATOM 1160 CB TYR A 78 -8.162 -1.724 0.213 1.00 0.00 C ATOM 1161 CG TYR A 78 -9.196 -0.930 -0.551 1.00 0.00 C ATOM 1162 CD1 TYR A 78 -8.826 -0.099 -1.600 1.00 0.00 C ATOM 1163 CD2 TYR A 78 -10.545 -1.020 -0.229 1.00 0.00 C ATOM 1164 CE1 TYR A 78 -9.772 0.619 -2.304 1.00 0.00 C ATOM 1165 CE2 TYR A 78 -11.494 -0.303 -0.933 1.00 0.00 C ATOM 1166 CZ TYR A 78 -11.102 0.513 -1.965 1.00 0.00 C ATOM 1167 OH TYR A 78 -12.045 1.220 -2.669 1.00 0.00 O ATOM 0 H TYR A 78 -9.536 -3.930 1.160 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.994 -3.253 -1.285 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.380 -1.661 1.279 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.181 -1.273 0.061 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -7.784 -0.013 -1.869 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -10.856 -1.660 0.583 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.470 1.262 -3.118 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -12.539 -0.384 -0.672 1.00 0.00 H new ATOM 0 HH TYR A 78 -12.935 1.033 -2.303 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.876 -4.140 -0.407 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.666 -4.827 0.029 1.00 0.00 C ATOM 1179 C ALA A 79 -3.413 -4.114 -0.486 1.00 0.00 C ATOM 1180 O ALA A 79 -3.495 -3.314 -1.411 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.687 -6.260 -0.479 1.00 0.00 C ATOM 0 H ALA A 79 -5.869 -3.871 -1.391 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.638 -4.821 1.119 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.783 -6.775 -0.154 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.561 -6.775 -0.080 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.732 -6.259 -1.568 1.00 0.00 H new ATOM 1187 N CYS A 80 -2.262 -4.383 0.127 1.00 0.00 N ATOM 1188 CA CYS A 80 -0.998 -3.856 -0.382 1.00 0.00 C ATOM 1189 C CYS A 80 0.019 -4.990 -0.575 1.00 0.00 C ATOM 1190 O CYS A 80 0.212 -5.813 0.319 1.00 0.00 O ATOM 1191 CB CYS A 80 -0.460 -2.780 0.560 1.00 0.00 C ATOM 1192 SG CYS A 80 1.187 -2.141 0.123 1.00 0.00 S ATOM 0 H CYS A 80 -2.178 -4.956 0.967 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.171 -3.398 -1.356 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -1.164 -1.948 0.579 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.420 -3.188 1.570 1.00 0.00 H new ATOM 1197 N ARG A 81 0.623 -5.050 -1.762 1.00 0.00 N ATOM 1198 CA ARG A 81 1.544 -6.135 -2.137 1.00 0.00 C ATOM 1199 C ARG A 81 2.998 -5.660 -2.082 1.00 0.00 C ATOM 1200 O ARG A 81 3.330 -4.651 -2.697 1.00 0.00 O ATOM 1201 CB ARG A 81 1.216 -6.574 -3.570 1.00 0.00 C ATOM 1202 CG ARG A 81 1.747 -7.950 -3.981 1.00 0.00 C ATOM 1203 CD ARG A 81 1.036 -8.466 -5.240 1.00 0.00 C ATOM 1204 NE ARG A 81 1.226 -7.574 -6.386 1.00 0.00 N ATOM 1205 CZ ARG A 81 0.481 -7.618 -7.489 1.00 0.00 C ATOM 1206 NH1 ARG A 81 -0.526 -8.477 -7.579 1.00 0.00 N ATOM 1207 NH2 ARG A 81 0.739 -6.805 -8.508 1.00 0.00 N ATOM 0 H ARG A 81 0.491 -4.351 -2.493 1.00 0.00 H new ATOM 0 HA ARG A 81 1.424 -6.963 -1.438 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.133 -6.572 -3.692 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.616 -5.830 -4.259 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.820 -7.889 -4.165 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.604 -8.657 -3.164 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.413 -9.458 -5.487 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.030 -8.571 -5.036 1.00 0.00 H new ATOM 0 HE ARG A 81 1.971 -6.880 -6.336 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.731 -9.106 -6.802 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.095 -8.509 -8.425 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.512 -6.142 -8.448 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.164 -6.844 -9.350 1.00 0.00 H new ATOM 1221 N VAL A 82 3.868 -6.375 -1.362 1.00 0.00 N ATOM 1222 CA VAL A 82 5.286 -6.002 -1.331 1.00 0.00 C ATOM 1223 C VAL A 82 6.201 -7.205 -1.563 1.00 0.00 C ATOM 1224 O VAL A 82 5.943 -8.312 -1.081 1.00 0.00 O ATOM 1225 CB VAL A 82 5.694 -5.283 -0.015 1.00 0.00 C ATOM 1226 CG1 VAL A 82 6.009 -6.273 1.095 1.00 0.00 C ATOM 1227 CG2 VAL A 82 6.879 -4.365 -0.259 1.00 0.00 C ATOM 0 H VAL A 82 3.625 -7.195 -0.806 1.00 0.00 H new ATOM 0 HA VAL A 82 5.415 -5.297 -2.152 1.00 0.00 H new ATOM 0 HB VAL A 82 4.843 -4.685 0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.290 -5.730 1.998 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.130 -6.884 1.298 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.834 -6.915 0.786 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.153 -3.869 0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.724 -4.950 -0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.612 -3.616 -1.004 1.00 0.00 H new ATOM 1237 N ASN A 83 7.255 -6.964 -2.332 1.00 0.00 N ATOM 1238 CA ASN A 83 8.259 -7.981 -2.624 1.00 0.00 C ATOM 1239 C ASN A 83 9.664 -7.412 -2.491 1.00 0.00 C ATOM 1240 O ASN A 83 9.914 -6.256 -2.839 1.00 0.00 O ATOM 1241 CB ASN A 83 8.037 -8.556 -4.027 1.00 0.00 C ATOM 1242 CG ASN A 83 8.840 -9.817 -4.271 1.00 0.00 C ATOM 1243 OD1 ASN A 83 9.175 -10.545 -3.335 1.00 0.00 O ATOM 1244 ND2 ASN A 83 9.132 -10.104 -5.530 1.00 0.00 N ATOM 0 H ASN A 83 7.438 -6.061 -2.770 1.00 0.00 H new ATOM 0 HA ASN A 83 8.155 -8.787 -1.897 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.977 -8.772 -4.164 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.309 -7.807 -4.770 1.00 0.00 H new ATOM 0 HD21 ASN A 83 9.652 -10.953 -5.752 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.837 -9.476 -6.278 1.00 0.00 H new ATOM 1251 N HIS A 84 10.560 -8.230 -1.947 1.00 0.00 N ATOM 1252 CA HIS A 84 11.957 -7.860 -1.777 1.00 0.00 C ATOM 1253 C HIS A 84 12.838 -9.042 -2.165 1.00 0.00 C ATOM 1254 O HIS A 84 12.339 -10.160 -2.283 1.00 0.00 O ATOM 1255 CB HIS A 84 12.233 -7.442 -0.319 1.00 0.00 C ATOM 1256 CG HIS A 84 13.589 -6.834 -0.086 1.00 0.00 C ATOM 1257 ND1 HIS A 84 14.682 -7.612 0.220 1.00 0.00 N ATOM 1258 CD2 HIS A 84 13.969 -5.534 -0.110 1.00 0.00 C ATOM 1259 CE1 HIS A 84 15.694 -6.775 0.370 1.00 0.00 C ATOM 1260 NE2 HIS A 84 15.308 -5.507 0.179 1.00 0.00 N ATOM 0 H HIS A 84 10.336 -9.167 -1.612 1.00 0.00 H new ATOM 0 HA HIS A 84 12.185 -7.010 -2.421 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.471 -6.727 -0.010 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.127 -8.317 0.322 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.338 -4.682 -0.317 1.00 0.00 H new ATOM 0 HE1 HIS A 84 16.702 -7.075 0.615 1.00 0.00 H new ATOM 0 HE2 HIS A 84 15.899 -4.678 0.238 1.00 0.00 H new ATOM 1268 N VAL A 85 14.126 -8.797 -2.367 1.00 0.00 N ATOM 1269 CA VAL A 85 15.065 -9.856 -2.753 1.00 0.00 C ATOM 1270 C VAL A 85 14.981 -11.058 -1.809 1.00 0.00 C ATOM 1271 O VAL A 85 15.008 -12.206 -2.257 1.00 0.00 O ATOM 1272 CB VAL A 85 16.527 -9.351 -2.791 1.00 0.00 C ATOM 1273 CG1 VAL A 85 17.476 -10.463 -3.225 1.00 0.00 C ATOM 1274 CG2 VAL A 85 16.660 -8.150 -3.714 1.00 0.00 C ATOM 0 H VAL A 85 14.550 -7.874 -2.271 1.00 0.00 H new ATOM 0 HA VAL A 85 14.772 -10.165 -3.756 1.00 0.00 H new ATOM 0 HB VAL A 85 16.801 -9.042 -1.782 1.00 0.00 H new ATOM 0 HG11 VAL A 85 18.497 -10.083 -3.244 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.410 -11.293 -2.521 1.00 0.00 H new ATOM 0 HG13 VAL A 85 17.199 -10.809 -4.221 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.696 -7.812 -3.725 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.360 -8.432 -4.723 1.00 0.00 H new ATOM 0 HG23 VAL A 85 16.019 -7.344 -3.357 1.00 0.00 H new ATOM 1284 N THR A 86 14.849 -10.798 -0.511 1.00 0.00 N ATOM 1285 CA THR A 86 14.831 -11.886 0.472 1.00 0.00 C ATOM 1286 C THR A 86 13.608 -12.781 0.274 1.00 0.00 C ATOM 1287 O THR A 86 13.743 -14.003 0.170 1.00 0.00 O ATOM 1288 CB THR A 86 14.880 -11.366 1.937 1.00 0.00 C ATOM 1289 OG1 THR A 86 14.586 -12.429 2.854 1.00 0.00 O ATOM 1290 CG2 THR A 86 13.906 -10.214 2.160 1.00 0.00 C ATOM 0 H THR A 86 14.754 -9.862 -0.117 1.00 0.00 H new ATOM 0 HA THR A 86 15.734 -12.472 0.302 1.00 0.00 H new ATOM 0 HB THR A 86 15.890 -10.997 2.117 1.00 0.00 H new ATOM 0 HG1 THR A 86 14.622 -12.088 3.772 1.00 0.00 H new ATOM 0 HG21 THR A 86 13.970 -9.879 3.195 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.160 -9.389 1.495 1.00 0.00 H new ATOM 0 HG23 THR A 86 12.891 -10.550 1.950 1.00 0.00 H new ATOM 1298 N LEU A 87 12.419 -12.180 0.231 1.00 0.00 N ATOM 1299 CA LEU A 87 11.191 -12.941 0.007 1.00 0.00 C ATOM 1300 C LEU A 87 11.256 -13.716 -1.306 1.00 0.00 C ATOM 1301 O LEU A 87 11.813 -13.242 -2.296 1.00 0.00 O ATOM 1302 CB LEU A 87 9.970 -12.022 -0.033 1.00 0.00 C ATOM 1303 CG LEU A 87 9.896 -10.964 1.066 1.00 0.00 C ATOM 1304 CD1 LEU A 87 8.733 -10.032 0.810 1.00 0.00 C ATOM 1305 CD2 LEU A 87 9.772 -11.617 2.436 1.00 0.00 C ATOM 0 H LEU A 87 12.281 -11.176 0.347 1.00 0.00 H new ATOM 0 HA LEU A 87 11.096 -13.638 0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.951 -11.517 -0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.073 -12.639 0.022 1.00 0.00 H new ATOM 0 HG LEU A 87 10.818 -10.383 1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.688 -9.281 1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.867 -9.539 -0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.805 -10.603 0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.721 -10.845 3.204 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.866 -12.223 2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.640 -12.251 2.617 1.00 0.00 H new ATOM 1317 N SER A 88 10.695 -14.912 -1.304 1.00 0.00 N ATOM 1318 CA SER A 88 10.571 -15.710 -2.515 1.00 0.00 C ATOM 1319 C SER A 88 9.124 -15.632 -3.020 1.00 0.00 C ATOM 1320 O SER A 88 8.725 -16.351 -3.939 1.00 0.00 O ATOM 1321 CB SER A 88 10.966 -17.158 -2.214 1.00 0.00 C ATOM 1322 OG SER A 88 11.019 -17.945 -3.393 1.00 0.00 O ATOM 0 H SER A 88 10.314 -15.357 -0.469 1.00 0.00 H new ATOM 0 HA SER A 88 11.235 -15.326 -3.289 1.00 0.00 H new ATOM 0 HB2 SER A 88 11.938 -17.175 -1.722 1.00 0.00 H new ATOM 0 HB3 SER A 88 10.249 -17.593 -1.518 1.00 0.00 H new ATOM 0 HG SER A 88 10.280 -17.696 -3.986 1.00 0.00 H new ATOM 1328 N GLN A 89 8.353 -14.726 -2.415 1.00 0.00 N ATOM 1329 CA GLN A 89 6.946 -14.540 -2.739 1.00 0.00 C ATOM 1330 C GLN A 89 6.454 -13.248 -2.066 1.00 0.00 C ATOM 1331 O GLN A 89 6.633 -13.081 -0.857 1.00 0.00 O ATOM 1332 CB GLN A 89 6.109 -15.752 -2.261 1.00 0.00 C ATOM 1333 CG GLN A 89 6.069 -15.945 -0.748 1.00 0.00 C ATOM 1334 CD GLN A 89 5.202 -17.118 -0.330 1.00 0.00 C ATOM 1335 OE1 GLN A 89 5.689 -18.236 -0.153 1.00 0.00 O ATOM 1336 NE2 GLN A 89 3.911 -16.877 -0.184 1.00 0.00 N ATOM 0 H GLN A 89 8.693 -14.101 -1.684 1.00 0.00 H new ATOM 0 HA GLN A 89 6.828 -14.462 -3.820 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.088 -15.637 -2.626 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.511 -16.656 -2.718 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.083 -16.098 -0.378 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.693 -15.035 -0.280 1.00 0.00 H new ATOM 0 HE21 GLN A 89 3.547 -15.937 -0.340 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.279 -17.631 0.085 1.00 0.00 H new ATOM 1345 N PRO A 90 5.886 -12.282 -2.819 1.00 0.00 N ATOM 1346 CA PRO A 90 5.327 -11.073 -2.204 1.00 0.00 C ATOM 1347 C PRO A 90 4.100 -11.372 -1.364 1.00 0.00 C ATOM 1348 O PRO A 90 3.413 -12.372 -1.577 1.00 0.00 O ATOM 1349 CB PRO A 90 4.939 -10.176 -3.370 1.00 0.00 C ATOM 1350 CG PRO A 90 4.836 -11.083 -4.556 1.00 0.00 C ATOM 1351 CD PRO A 90 5.778 -12.258 -4.294 1.00 0.00 C ATOM 0 HA PRO A 90 6.053 -10.614 -1.533 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.992 -9.671 -3.179 1.00 0.00 H new ATOM 0 HB3 PRO A 90 5.686 -9.400 -3.533 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.812 -11.431 -4.689 1.00 0.00 H new ATOM 0 HG3 PRO A 90 5.116 -10.559 -5.470 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.374 -13.193 -4.683 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.749 -12.109 -4.767 1.00 0.00 H new ATOM 1359 N LYS A 91 3.829 -10.494 -0.419 1.00 0.00 N ATOM 1360 CA LYS A 91 2.693 -10.670 0.473 1.00 0.00 C ATOM 1361 C LYS A 91 1.595 -9.670 0.154 1.00 0.00 C ATOM 1362 O LYS A 91 1.856 -8.572 -0.336 1.00 0.00 O ATOM 1363 CB LYS A 91 3.097 -10.493 1.953 1.00 0.00 C ATOM 1364 CG LYS A 91 4.281 -11.346 2.433 1.00 0.00 C ATOM 1365 CD LYS A 91 4.812 -10.903 3.805 1.00 0.00 C ATOM 1366 CE LYS A 91 5.434 -12.066 4.578 1.00 0.00 C ATOM 1367 NZ LYS A 91 5.873 -11.655 5.938 1.00 0.00 N ATOM 0 H LYS A 91 4.377 -9.651 -0.246 1.00 0.00 H new ATOM 0 HA LYS A 91 2.330 -11.686 0.319 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.339 -9.443 2.120 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.232 -10.724 2.575 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.973 -12.390 2.487 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.086 -11.288 1.700 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.556 -10.118 3.670 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.997 -10.474 4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.710 -12.877 4.660 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.287 -12.456 4.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.289 -12.471 6.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.583 -10.899 5.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.054 -11.307 6.477 1.00 0.00 H new ATOM 1381 N ILE A 92 0.371 -10.078 0.442 1.00 0.00 N ATOM 1382 CA ILE A 92 -0.765 -9.180 0.397 1.00 0.00 C ATOM 1383 C ILE A 92 -1.249 -8.901 1.808 1.00 0.00 C ATOM 1384 O ILE A 92 -1.487 -9.821 2.596 1.00 0.00 O ATOM 1385 CB ILE A 92 -1.942 -9.701 -0.487 1.00 0.00 C ATOM 1386 CG1 ILE A 92 -1.924 -9.025 -1.859 1.00 0.00 C ATOM 1387 CG2 ILE A 92 -3.291 -9.464 0.172 1.00 0.00 C ATOM 1388 CD1 ILE A 92 -1.553 -7.567 -1.797 1.00 0.00 C ATOM 0 H ILE A 92 0.140 -11.034 0.711 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.420 -8.260 -0.075 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.801 -10.775 -0.605 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.217 -9.546 -2.504 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.907 -9.124 -2.319 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -4.083 -9.841 -0.475 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.325 -9.985 1.129 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.433 -8.396 0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.559 -7.147 -2.803 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.274 -7.034 -1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.557 -7.463 -1.366 1.00 0.00 H new ATOM 1400 N VAL A 93 -1.373 -7.630 2.126 1.00 0.00 N ATOM 1401 CA VAL A 93 -1.912 -7.208 3.398 1.00 0.00 C ATOM 1402 C VAL A 93 -3.234 -6.522 3.157 1.00 0.00 C ATOM 1403 O VAL A 93 -3.305 -5.545 2.421 1.00 0.00 O ATOM 1404 CB VAL A 93 -0.957 -6.252 4.138 1.00 0.00 C ATOM 1405 CG1 VAL A 93 -0.582 -5.060 3.281 1.00 0.00 C ATOM 1406 CG2 VAL A 93 -1.557 -5.786 5.452 1.00 0.00 C ATOM 0 H VAL A 93 -1.103 -6.863 1.510 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.043 -8.088 4.027 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.047 -6.813 4.352 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.092 -4.409 3.838 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.086 -5.406 2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.482 -4.506 3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.860 -5.113 5.952 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.493 -5.262 5.259 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.749 -6.648 6.090 1.00 0.00 H new ATOM 1416 N LYS A 94 -4.280 -7.035 3.747 1.00 0.00 N ATOM 1417 CA LYS A 94 -5.591 -6.499 3.494 1.00 0.00 C ATOM 1418 C LYS A 94 -6.034 -5.679 4.686 1.00 0.00 C ATOM 1419 O LYS A 94 -5.626 -5.944 5.819 1.00 0.00 O ATOM 1420 CB LYS A 94 -6.564 -7.630 3.202 1.00 0.00 C ATOM 1421 CG LYS A 94 -6.079 -8.532 2.083 1.00 0.00 C ATOM 1422 CD LYS A 94 -6.755 -9.879 2.141 1.00 0.00 C ATOM 1423 CE LYS A 94 -6.128 -10.760 3.207 1.00 0.00 C ATOM 1424 NZ LYS A 94 -4.816 -11.306 2.773 1.00 0.00 N ATOM 0 H LYS A 94 -4.252 -7.817 4.401 1.00 0.00 H new ATOM 0 HA LYS A 94 -5.567 -5.848 2.620 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.711 -8.222 4.105 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.534 -7.212 2.934 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.279 -8.062 1.120 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.999 -8.660 2.157 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.816 -9.748 2.351 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.681 -10.369 1.170 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.996 -10.184 4.123 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.804 -11.582 3.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.659 -12.230 3.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.812 -11.419 1.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.058 -10.651 3.053 1.00 0.00 H new ATOM 1438 N TRP A 95 -6.830 -4.666 4.424 1.00 0.00 N ATOM 1439 CA TRP A 95 -7.262 -3.766 5.477 1.00 0.00 C ATOM 1440 C TRP A 95 -8.513 -4.304 6.162 1.00 0.00 C ATOM 1441 O TRP A 95 -9.501 -4.645 5.503 1.00 0.00 O ATOM 1442 CB TRP A 95 -7.488 -2.349 4.913 1.00 0.00 C ATOM 1443 CG TRP A 95 -7.985 -1.341 5.915 1.00 0.00 C ATOM 1444 CD1 TRP A 95 -7.482 -1.085 7.167 1.00 0.00 C ATOM 1445 CD2 TRP A 95 -9.082 -0.429 5.736 1.00 0.00 C ATOM 1446 NE1 TRP A 95 -8.203 -0.098 7.775 1.00 0.00 N ATOM 1447 CE2 TRP A 95 -9.190 0.326 6.924 1.00 0.00 C ATOM 1448 CE3 TRP A 95 -9.985 -0.174 4.687 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 -10.160 1.302 7.099 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 -10.946 0.803 4.861 1.00 0.00 C ATOM 1451 CH2 TRP A 95 -11.031 1.531 6.057 1.00 0.00 C ATOM 0 H TRP A 95 -7.191 -4.443 3.497 1.00 0.00 H new ATOM 0 HA TRP A 95 -6.477 -3.703 6.230 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.550 -1.988 4.490 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.205 -2.410 4.094 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.637 -1.592 7.608 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -8.034 0.266 8.713 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -9.928 -0.731 3.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.230 1.862 8.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -11.644 1.010 4.063 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -11.795 2.287 6.163 1.00 0.00 H new ATOM 1462 N ASP A 96 -8.444 -4.389 7.488 1.00 0.00 N ATOM 1463 CA ASP A 96 -9.539 -4.912 8.304 1.00 0.00 C ATOM 1464 C ASP A 96 -10.779 -4.037 8.164 1.00 0.00 C ATOM 1465 O ASP A 96 -10.891 -3.000 8.816 1.00 0.00 O ATOM 1466 CB ASP A 96 -9.130 -4.982 9.777 1.00 0.00 C ATOM 1467 CG ASP A 96 -8.033 -5.995 10.035 1.00 0.00 C ATOM 1468 OD1 ASP A 96 -6.871 -5.578 10.228 1.00 0.00 O ATOM 1469 OD2 ASP A 96 -8.326 -7.210 10.042 1.00 0.00 O ATOM 0 H ASP A 96 -7.629 -4.098 8.028 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.769 -5.917 7.949 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.793 -3.998 10.103 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -10.002 -5.236 10.380 1.00 0.00 H new ATOM 1474 N ARG A 97 -11.697 -4.457 7.303 1.00 0.00 N ATOM 1475 CA ARG A 97 -12.962 -3.751 7.120 1.00 0.00 C ATOM 1476 C ARG A 97 -13.922 -4.638 6.318 1.00 0.00 C ATOM 1477 O ARG A 97 -15.130 -4.402 6.265 1.00 0.00 O ATOM 1478 CB ARG A 97 -12.711 -2.396 6.404 1.00 0.00 C ATOM 1479 CG ARG A 97 -12.854 -2.435 4.868 1.00 0.00 C ATOM 1480 CD ARG A 97 -14.312 -2.325 4.410 1.00 0.00 C ATOM 1481 NE ARG A 97 -14.496 -2.704 3.015 1.00 0.00 N ATOM 1482 CZ ARG A 97 -15.617 -3.270 2.565 1.00 0.00 C ATOM 1483 NH1 ARG A 97 -16.668 -3.399 3.373 1.00 0.00 N ATOM 1484 NH2 ARG A 97 -15.685 -3.715 1.320 1.00 0.00 N ATOM 0 H ARG A 97 -11.590 -5.286 6.718 1.00 0.00 H new ATOM 0 HA ARG A 97 -13.415 -3.537 8.088 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -13.408 -1.658 6.800 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -11.707 -2.051 6.652 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.277 -1.619 4.432 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -12.427 -3.364 4.490 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -14.935 -2.961 5.040 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -14.656 -1.301 4.552 1.00 0.00 H new ATOM 0 HE ARG A 97 -13.737 -2.529 2.356 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -16.615 -3.065 4.335 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -17.525 -3.832 3.029 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -14.879 -3.626 0.702 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -16.544 -4.147 0.979 1.00 0.00 H new ATOM 1498 N ASP A 98 -13.360 -5.689 5.741 1.00 0.00 N ATOM 1499 CA ASP A 98 -14.058 -6.548 4.787 1.00 0.00 C ATOM 1500 C ASP A 98 -13.375 -7.916 4.681 1.00 0.00 C ATOM 1501 O ASP A 98 -13.901 -8.836 4.057 1.00 0.00 O ATOM 1502 CB ASP A 98 -14.073 -5.881 3.421 1.00 0.00 C ATOM 1503 CG ASP A 98 -14.815 -6.686 2.368 1.00 0.00 C ATOM 1504 OD1 ASP A 98 -16.063 -6.642 2.352 1.00 0.00 O ATOM 1505 OD2 ASP A 98 -14.155 -7.357 1.547 1.00 0.00 O ATOM 0 H ASP A 98 -12.398 -5.975 5.921 1.00 0.00 H new ATOM 0 HA ASP A 98 -15.079 -6.698 5.139 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.535 -4.898 3.509 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.047 -5.722 3.091 1.00 0.00 H new ATOM 1510 N MET A 99 -12.227 -8.064 5.334 1.00 0.00 N ATOM 1511 CA MET A 99 -11.443 -9.290 5.227 1.00 0.00 C ATOM 1512 C MET A 99 -11.760 -10.203 6.404 1.00 0.00 C ATOM 1513 CB MET A 99 -9.937 -8.996 5.189 1.00 0.00 C ATOM 1514 CG MET A 99 -9.443 -8.176 6.378 1.00 0.00 C ATOM 1515 SD MET A 99 -7.646 -8.117 6.489 1.00 0.00 S ATOM 1516 CE MET A 99 -7.268 -9.837 6.816 1.00 0.00 C ATOM 0 H MET A 99 -11.820 -7.353 5.941 1.00 0.00 H new ATOM 0 HA MET A 99 -11.711 -9.782 4.292 1.00 0.00 H new ATOM 0 HB2 MET A 99 -9.392 -9.939 5.158 1.00 0.00 H new ATOM 0 HB3 MET A 99 -9.703 -8.462 4.268 1.00 0.00 H new ATOM 0 HG2 MET A 99 -9.831 -7.160 6.299 1.00 0.00 H new ATOM 0 HG3 MET A 99 -9.845 -8.600 7.298 1.00 0.00 H new ATOM 0 HE1 MET A 99 -6.259 -9.917 7.221 1.00 0.00 H new ATOM 0 HE2 MET A 99 -7.982 -10.236 7.537 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.333 -10.406 5.889 1.00 0.00 H new TER 1525 MET A 99