USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1092 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 114 SER OG : rot 101:sc= 0.564 USER MOD Set 1.2: A 117 GLN : amide:sc= -0.135 X(o=0.43,f=0.26) USER MOD Set 2.1: A 55 GLN : amide:sc= 0.918 K(o=2,f=-4.1) USER MOD Set 2.2: A 57 LYS NZ :NH3+ -110:sc= 1.05 (180deg=0) USER MOD Set 3.1: A 11 MET CE :methyl -118:sc= -0.533 (180deg=-2.3) USER MOD Set 3.2: A 121 HIS : no HD1:sc= -3.97! X(o=-4.5!,f=-4) USER MOD Single : A 1 MET CE :methyl 148:sc= -0.114 (180deg=-0.644) USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.09 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -2.74! C(o=-2.7!,f=-3.6!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HE2:sc= -3.88! C(o=-3.9!,f=-13!) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.113 K(o=-0.11,f=-1.2!) USER MOD Single : A 20 GLN : amide:sc= -0.848 K(o=-0.85,f=-1.8!) USER MOD Single : A 22 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.141) USER MOD Single : A 23 ASN : amide:sc= -0.0253 K(o=-0.025,f=-0.57) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.254 K(o=-0.25,f=-2.5!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.287 K(o=-0.29,f=-1.5) USER MOD Single : A 46 SER OG : rot 180:sc= -0.328 USER MOD Single : A 49 SER OG : rot -170:sc= -0.615 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 53 LYS NZ :NH3+ -159:sc= -0.0195 (180deg=-0.248) USER MOD Single : A 58 SER OG : rot -121:sc= 0.682 USER MOD Single : A 60 ASN : amide:sc= -3.85! C(o=-3.8!,f=-5.1!) USER MOD Single : A 61 THR OG1 : rot -48:sc= 0.928 USER MOD Single : A 63 ASN : amide:sc= -0.0598 K(o=-0.06,f=-1.2) USER MOD Single : A 64 ASN : amide:sc= -7.26! C(o=-7.3!,f=-18!) USER MOD Single : A 69 ASN : amide:sc= -0.0675 X(o=-0.067,f=-0.023) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -9.18! C(o=-9.2!,f=-5.6!) USER MOD Single : A 88 GLN : amide:sc= -0.114 K(o=-0.11,f=-2.1!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= -3.25! K(o=-3.2!,f=-1.3) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot -46:sc= 0.0749 USER MOD Single : A 102 LYS NZ :NH3+ -149:sc= -0.734 (180deg=-1.95!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 MET CE :methyl -151:sc= -0.202 (180deg=-2.22) USER MOD Single : A 122 GLN : amide:sc= -0.0333! K(o=-0.033!,f=-1.2) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 180:sc= 0.089 USER MOD Single : A 129 HIS : no HD1:sc= -0.302 X(o=-0.3,f=-0.49) USER MOD Single : A 131 SER OG : rot -16:sc= 1.67 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.439 15.071 19.302 1.00 0.00 N ATOM 2 CA MET A 1 -5.058 13.874 18.571 1.00 0.00 C ATOM 3 C MET A 1 -5.127 12.638 19.469 1.00 0.00 C ATOM 4 O MET A 1 -5.311 12.755 20.679 1.00 0.00 O ATOM 5 CB MET A 1 -3.635 14.036 18.032 1.00 0.00 C ATOM 6 CG MET A 1 -3.616 14.931 16.792 1.00 0.00 C ATOM 7 SD MET A 1 -2.683 16.415 17.124 1.00 0.00 S ATOM 8 CE MET A 1 -1.063 15.711 17.385 1.00 0.00 C ATOM 0 H1 MET A 1 -6.297 15.479 18.878 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.627 14.826 20.295 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.667 15.766 19.257 1.00 0.00 H new ATOM 0 HA MET A 1 -5.755 13.738 17.744 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.997 14.465 18.804 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.223 13.058 17.785 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.174 14.394 15.953 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.635 15.189 16.504 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.302 16.415 17.049 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.923 15.504 18.446 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.974 14.783 16.819 1.00 0.00 H new ATOM 18 N GLN A 2 -4.975 11.481 18.842 1.00 0.00 N ATOM 19 CA GLN A 2 -5.018 10.224 19.569 1.00 0.00 C ATOM 20 C GLN A 2 -4.607 9.067 18.655 1.00 0.00 C ATOM 21 O GLN A 2 -5.346 8.699 17.743 1.00 0.00 O ATOM 22 CB GLN A 2 -6.405 9.983 20.168 1.00 0.00 C ATOM 23 CG GLN A 2 -6.397 10.212 21.680 1.00 0.00 C ATOM 24 CD GLN A 2 -7.142 11.498 22.044 1.00 0.00 C ATOM 25 OE1 GLN A 2 -8.117 11.881 21.418 1.00 0.00 O ATOM 26 NE2 GLN A 2 -6.630 12.142 23.089 1.00 0.00 N ATOM 0 H GLN A 2 -4.822 11.388 17.838 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.307 10.280 20.394 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.128 10.650 19.699 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -6.726 8.964 19.953 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -6.862 9.364 22.182 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -5.369 10.270 22.037 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -5.812 11.767 23.569 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -7.056 13.011 23.411 1.00 0.00 H new ATOM 35 N GLY A 3 -3.430 8.526 18.932 1.00 0.00 N ATOM 36 CA GLY A 3 -2.912 7.419 18.146 1.00 0.00 C ATOM 37 C GLY A 3 -3.700 6.136 18.420 1.00 0.00 C ATOM 38 O GLY A 3 -3.185 5.209 19.044 1.00 0.00 O ATOM 0 H GLY A 3 -2.820 8.833 19.690 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -2.967 7.664 17.085 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -1.860 7.261 18.383 1.00 0.00 H new ATOM 42 N GLN A 4 -4.935 6.124 17.942 1.00 0.00 N ATOM 43 CA GLN A 4 -5.798 4.971 18.128 1.00 0.00 C ATOM 44 C GLN A 4 -7.132 5.185 17.409 1.00 0.00 C ATOM 45 O GLN A 4 -7.630 4.284 16.736 1.00 0.00 O ATOM 46 CB GLN A 4 -6.017 4.683 19.614 1.00 0.00 C ATOM 47 CG GLN A 4 -6.628 5.893 20.323 1.00 0.00 C ATOM 48 CD GLN A 4 -6.468 5.779 21.840 1.00 0.00 C ATOM 49 OE1 GLN A 4 -5.579 6.359 22.442 1.00 0.00 O ATOM 50 NE2 GLN A 4 -7.376 5.000 22.423 1.00 0.00 N ATOM 0 H GLN A 4 -5.359 6.895 17.426 1.00 0.00 H new ATOM 0 HA GLN A 4 -5.307 4.101 17.692 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -6.674 3.820 19.728 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -5.067 4.424 20.082 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -6.148 6.806 19.971 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.685 5.971 20.070 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -8.094 4.544 21.860 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -7.354 4.859 23.433 1.00 0.00 H new ATOM 59 N ASP A 5 -7.672 6.383 17.577 1.00 0.00 N ATOM 60 CA ASP A 5 -8.939 6.727 16.953 1.00 0.00 C ATOM 61 C ASP A 5 -8.924 6.268 15.493 1.00 0.00 C ATOM 62 O ASP A 5 -7.869 5.941 14.952 1.00 0.00 O ATOM 63 CB ASP A 5 -9.169 8.239 16.971 1.00 0.00 C ATOM 64 CG ASP A 5 -9.968 8.757 18.168 1.00 0.00 C ATOM 65 OD1 ASP A 5 -10.069 7.997 19.155 1.00 0.00 O ATOM 66 OD2 ASP A 5 -10.459 9.903 18.071 1.00 0.00 O ATOM 0 H ASP A 5 -7.256 7.128 18.136 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.735 6.235 17.512 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -8.201 8.739 16.956 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -9.689 8.523 16.056 1.00 0.00 H new ATOM 71 N ARG A 6 -10.107 6.259 14.897 1.00 0.00 N ATOM 72 CA ARG A 6 -10.244 5.846 13.511 1.00 0.00 C ATOM 73 C ARG A 6 -9.065 6.363 12.684 1.00 0.00 C ATOM 74 O ARG A 6 -8.650 5.723 11.720 1.00 0.00 O ATOM 75 CB ARG A 6 -11.549 6.368 12.907 1.00 0.00 C ATOM 76 CG ARG A 6 -11.600 7.897 12.947 1.00 0.00 C ATOM 77 CD ARG A 6 -13.043 8.395 13.042 1.00 0.00 C ATOM 78 NE ARG A 6 -13.214 9.612 12.218 1.00 0.00 N ATOM 79 CZ ARG A 6 -13.429 9.600 10.895 1.00 0.00 C ATOM 80 NH1 ARG A 6 -13.502 8.433 10.239 1.00 0.00 N ATOM 81 NH2 ARG A 6 -13.572 10.753 10.229 1.00 0.00 N ATOM 0 H ARG A 6 -10.980 6.531 15.349 1.00 0.00 H new ATOM 0 HA ARG A 6 -10.257 4.756 13.490 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -11.640 6.025 11.876 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -12.397 5.958 13.455 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -11.029 8.261 13.801 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -11.129 8.304 12.052 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -13.728 7.617 12.703 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -13.294 8.611 14.080 1.00 0.00 H new ATOM 0 HE ARG A 6 -13.165 10.517 12.686 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -13.394 7.555 10.747 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -13.666 8.423 9.232 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -13.517 11.641 10.728 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -13.736 10.744 9.222 1.00 0.00 H new ATOM 95 N HIS A 7 -8.559 7.518 13.092 1.00 0.00 N ATOM 96 CA HIS A 7 -7.436 8.129 12.401 1.00 0.00 C ATOM 97 C HIS A 7 -6.341 7.084 12.178 1.00 0.00 C ATOM 98 O HIS A 7 -5.867 6.906 11.057 1.00 0.00 O ATOM 99 CB HIS A 7 -6.935 9.359 13.160 1.00 0.00 C ATOM 100 CG HIS A 7 -7.059 10.650 12.387 1.00 0.00 C ATOM 101 ND1 HIS A 7 -8.174 10.968 11.632 1.00 0.00 N ATOM 102 CD2 HIS A 7 -6.197 11.700 12.261 1.00 0.00 C ATOM 103 CE1 HIS A 7 -7.981 12.157 11.080 1.00 0.00 C ATOM 104 NE2 HIS A 7 -6.755 12.608 11.471 1.00 0.00 N ATOM 0 H HIS A 7 -8.906 8.047 13.892 1.00 0.00 H new ATOM 0 HA HIS A 7 -7.757 8.484 11.422 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -7.493 9.450 14.092 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -5.889 9.207 13.428 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -9.004 10.386 11.519 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -5.225 11.779 12.726 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -8.673 12.677 10.434 1.00 0.00 H new ATOM 112 N MET A 8 -5.972 6.419 13.263 1.00 0.00 N ATOM 113 CA MET A 8 -4.941 5.396 13.200 1.00 0.00 C ATOM 114 C MET A 8 -5.395 4.214 12.341 1.00 0.00 C ATOM 115 O MET A 8 -4.776 3.909 11.322 1.00 0.00 O ATOM 116 CB MET A 8 -4.620 4.907 14.613 1.00 0.00 C ATOM 117 CG MET A 8 -3.350 4.053 14.622 1.00 0.00 C ATOM 118 SD MET A 8 -2.852 3.718 16.303 1.00 0.00 S ATOM 119 CE MET A 8 -1.111 3.411 16.055 1.00 0.00 C ATOM 0 H MET A 8 -6.368 6.568 14.191 1.00 0.00 H new ATOM 0 HA MET A 8 -4.051 5.831 12.746 1.00 0.00 H new ATOM 0 HB2 MET A 8 -4.493 5.762 15.277 1.00 0.00 H new ATOM 0 HB3 MET A 8 -5.457 4.325 14.999 1.00 0.00 H new ATOM 0 HG2 MET A 8 -3.528 3.117 14.093 1.00 0.00 H new ATOM 0 HG3 MET A 8 -2.550 4.571 14.093 1.00 0.00 H new ATOM 0 HE1 MET A 8 -0.642 3.184 17.012 1.00 0.00 H new ATOM 0 HE2 MET A 8 -0.983 2.566 15.379 1.00 0.00 H new ATOM 0 HE3 MET A 8 -0.644 4.296 15.623 1.00 0.00 H new ATOM 129 N ILE A 9 -6.471 3.581 12.783 1.00 0.00 N ATOM 130 CA ILE A 9 -7.015 2.439 12.067 1.00 0.00 C ATOM 131 C ILE A 9 -6.947 2.706 10.563 1.00 0.00 C ATOM 132 O ILE A 9 -6.709 1.791 9.776 1.00 0.00 O ATOM 133 CB ILE A 9 -8.422 2.111 12.571 1.00 0.00 C ATOM 134 CG1 ILE A 9 -8.415 1.834 14.076 1.00 0.00 C ATOM 135 CG2 ILE A 9 -9.032 0.953 11.778 1.00 0.00 C ATOM 136 CD1 ILE A 9 -9.125 2.952 14.842 1.00 0.00 C ATOM 0 H ILE A 9 -6.981 3.837 13.628 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.417 1.548 12.260 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.055 2.983 12.407 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -8.906 0.882 14.277 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.387 1.743 14.428 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.032 0.740 12.156 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.093 1.226 10.724 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.406 0.067 11.888 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -9.106 2.731 15.909 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.617 3.899 14.658 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -10.159 3.024 14.505 1.00 0.00 H new ATOM 148 N ARG A 10 -7.161 3.965 10.207 1.00 0.00 N ATOM 149 CA ARG A 10 -7.127 4.364 8.811 1.00 0.00 C ATOM 150 C ARG A 10 -5.986 3.650 8.082 1.00 0.00 C ATOM 151 O ARG A 10 -6.214 2.968 7.084 1.00 0.00 O ATOM 152 CB ARG A 10 -6.942 5.877 8.674 1.00 0.00 C ATOM 153 CG ARG A 10 -7.231 6.338 7.245 1.00 0.00 C ATOM 154 CD ARG A 10 -8.735 6.336 6.962 1.00 0.00 C ATOM 155 NE ARG A 10 -9.327 7.632 7.361 1.00 0.00 N ATOM 156 CZ ARG A 10 -10.642 7.847 7.498 1.00 0.00 C ATOM 157 NH1 ARG A 10 -11.511 6.853 7.269 1.00 0.00 N ATOM 158 NH2 ARG A 10 -11.089 9.056 7.865 1.00 0.00 N ATOM 0 H ARG A 10 -7.359 4.722 10.862 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.081 4.084 8.364 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.607 6.392 9.367 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.923 6.148 8.948 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.830 7.340 7.094 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.723 5.682 6.538 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.914 6.156 5.902 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.215 5.524 7.508 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.694 8.411 7.543 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.171 5.933 6.990 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.512 7.017 7.373 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.428 9.813 8.040 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.090 9.219 7.969 1.00 0.00 H new ATOM 172 N MET A 11 -4.785 3.831 8.609 1.00 0.00 N ATOM 173 CA MET A 11 -3.608 3.213 8.021 1.00 0.00 C ATOM 174 C MET A 11 -3.279 1.891 8.717 1.00 0.00 C ATOM 175 O MET A 11 -2.703 0.991 8.107 1.00 0.00 O ATOM 176 CB MET A 11 -2.417 4.165 8.142 1.00 0.00 C ATOM 177 CG MET A 11 -2.142 4.517 9.606 1.00 0.00 C ATOM 178 SD MET A 11 -0.493 4.006 10.058 1.00 0.00 S ATOM 179 CE MET A 11 -0.859 3.015 11.497 1.00 0.00 C ATOM 0 H MET A 11 -4.601 4.397 9.437 1.00 0.00 H new ATOM 0 HA MET A 11 -3.814 3.008 6.971 1.00 0.00 H new ATOM 0 HB2 MET A 11 -1.532 3.704 7.703 1.00 0.00 H new ATOM 0 HB3 MET A 11 -2.616 5.075 7.577 1.00 0.00 H new ATOM 0 HG2 MET A 11 -2.253 5.591 9.757 1.00 0.00 H new ATOM 0 HG3 MET A 11 -2.873 4.027 10.250 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.381 3.454 12.372 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.938 2.982 11.651 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.483 2.003 11.347 1.00 0.00 H new ATOM 189 N ARG A 12 -3.657 1.815 9.984 1.00 0.00 N ATOM 190 CA ARG A 12 -3.409 0.618 10.769 1.00 0.00 C ATOM 191 C ARG A 12 -4.071 -0.595 10.112 1.00 0.00 C ATOM 192 O ARG A 12 -3.446 -1.644 9.964 1.00 0.00 O ATOM 193 CB ARG A 12 -3.944 0.773 12.194 1.00 0.00 C ATOM 194 CG ARG A 12 -2.933 0.253 13.219 1.00 0.00 C ATOM 195 CD ARG A 12 -3.503 0.327 14.637 1.00 0.00 C ATOM 196 NE ARG A 12 -2.778 -0.611 15.523 1.00 0.00 N ATOM 197 CZ ARG A 12 -3.034 -1.924 15.597 1.00 0.00 C ATOM 198 NH1 ARG A 12 -3.999 -2.462 14.838 1.00 0.00 N ATOM 199 NH2 ARG A 12 -2.326 -2.699 16.430 1.00 0.00 N ATOM 0 H ARG A 12 -4.134 2.563 10.487 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.330 0.468 10.812 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.161 1.822 12.392 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.883 0.228 12.295 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.668 -0.778 12.983 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.016 0.839 13.161 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.416 1.344 15.020 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.565 0.081 14.624 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.037 -0.234 16.114 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.538 -1.872 14.204 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.194 -3.462 14.894 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.592 -2.289 17.008 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.521 -3.699 16.486 1.00 0.00 H new ATOM 213 N GLN A 13 -5.328 -0.411 9.736 1.00 0.00 N ATOM 214 CA GLN A 13 -6.082 -1.476 9.098 1.00 0.00 C ATOM 215 C GLN A 13 -5.424 -1.874 7.775 1.00 0.00 C ATOM 216 O GLN A 13 -5.436 -3.045 7.399 1.00 0.00 O ATOM 217 CB GLN A 13 -7.540 -1.064 8.882 1.00 0.00 C ATOM 218 CG GLN A 13 -8.435 -1.614 9.994 1.00 0.00 C ATOM 219 CD GLN A 13 -8.993 -2.989 9.619 1.00 0.00 C ATOM 220 OE1 GLN A 13 -9.296 -3.272 8.472 1.00 0.00 O ATOM 221 NE2 GLN A 13 -9.111 -3.824 10.648 1.00 0.00 N ATOM 0 H GLN A 13 -5.843 0.460 9.861 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.078 -2.343 9.759 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.614 0.023 8.855 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.886 -1.432 7.916 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.866 -1.689 10.920 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.257 -0.922 10.180 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.838 -3.522 11.583 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.474 -4.766 10.501 1.00 0.00 H new ATOM 230 N LEU A 14 -4.865 -0.877 7.106 1.00 0.00 N ATOM 231 CA LEU A 14 -4.203 -1.108 5.833 1.00 0.00 C ATOM 232 C LEU A 14 -3.019 -2.054 6.043 1.00 0.00 C ATOM 233 O LEU A 14 -3.045 -3.197 5.590 1.00 0.00 O ATOM 234 CB LEU A 14 -3.819 0.221 5.179 1.00 0.00 C ATOM 235 CG LEU A 14 -4.966 1.013 4.546 1.00 0.00 C ATOM 236 CD1 LEU A 14 -4.431 2.138 3.660 1.00 0.00 C ATOM 237 CD2 LEU A 14 -5.917 0.086 3.786 1.00 0.00 C ATOM 0 H LEU A 14 -4.857 0.093 7.421 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.882 -1.596 5.134 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.342 0.849 5.931 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.073 0.022 4.410 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.542 1.480 5.345 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.266 2.685 3.223 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.827 2.818 4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.818 1.714 2.864 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.723 0.673 3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.370 -0.429 2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.337 -0.648 4.474 1.00 0.00 H new ATOM 249 N ILE A 15 -2.008 -1.542 6.731 1.00 0.00 N ATOM 250 CA ILE A 15 -0.817 -2.327 7.007 1.00 0.00 C ATOM 251 C ILE A 15 -1.228 -3.736 7.437 1.00 0.00 C ATOM 252 O ILE A 15 -0.633 -4.720 7.003 1.00 0.00 O ATOM 253 CB ILE A 15 0.074 -1.609 8.023 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.725 -0.371 7.403 1.00 0.00 C ATOM 255 CG2 ILE A 15 1.111 -2.566 8.615 1.00 0.00 C ATOM 256 CD1 ILE A 15 0.052 0.910 7.902 1.00 0.00 C ATOM 0 H ILE A 15 -1.990 -0.593 7.105 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.213 -2.432 6.106 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.554 -1.265 8.845 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.786 -0.350 7.653 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.654 -0.424 6.317 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.731 -2.031 9.334 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.602 -3.389 9.117 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.739 -2.961 7.817 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.533 1.775 7.446 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.003 0.897 7.629 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.146 0.972 8.986 1.00 0.00 H new ATOM 268 N ASP A 16 -2.244 -3.788 8.287 1.00 0.00 N ATOM 269 CA ASP A 16 -2.742 -5.061 8.780 1.00 0.00 C ATOM 270 C ASP A 16 -3.341 -5.855 7.618 1.00 0.00 C ATOM 271 O ASP A 16 -2.914 -6.975 7.341 1.00 0.00 O ATOM 272 CB ASP A 16 -3.839 -4.854 9.827 1.00 0.00 C ATOM 273 CG ASP A 16 -3.683 -5.688 11.100 1.00 0.00 C ATOM 274 OD1 ASP A 16 -2.541 -6.130 11.353 1.00 0.00 O ATOM 275 OD2 ASP A 16 -4.709 -5.865 11.792 1.00 0.00 O ATOM 0 H ASP A 16 -2.735 -2.969 8.646 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.908 -5.597 9.232 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.864 -3.800 10.102 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.802 -5.088 9.373 1.00 0.00 H new ATOM 280 N ILE A 17 -4.322 -5.244 6.969 1.00 0.00 N ATOM 281 CA ILE A 17 -4.984 -5.880 5.843 1.00 0.00 C ATOM 282 C ILE A 17 -3.935 -6.550 4.952 1.00 0.00 C ATOM 283 O ILE A 17 -4.108 -7.695 4.537 1.00 0.00 O ATOM 284 CB ILE A 17 -5.867 -4.874 5.103 1.00 0.00 C ATOM 285 CG1 ILE A 17 -7.328 -5.000 5.541 1.00 0.00 C ATOM 286 CG2 ILE A 17 -5.709 -5.016 3.588 1.00 0.00 C ATOM 287 CD1 ILE A 17 -8.139 -3.780 5.101 1.00 0.00 C ATOM 0 H ILE A 17 -4.674 -4.315 7.202 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.656 -6.665 6.190 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.537 -3.870 5.369 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.763 -5.904 5.114 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.379 -5.103 6.625 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.348 -4.289 3.086 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.670 -4.838 3.312 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.997 -6.023 3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -9.173 -3.895 5.425 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.716 -2.881 5.549 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -8.106 -3.694 4.015 1.00 0.00 H new ATOM 299 N VAL A 18 -2.871 -5.807 4.685 1.00 0.00 N ATOM 300 CA VAL A 18 -1.795 -6.315 3.851 1.00 0.00 C ATOM 301 C VAL A 18 -1.217 -7.581 4.487 1.00 0.00 C ATOM 302 O VAL A 18 -1.179 -8.636 3.855 1.00 0.00 O ATOM 303 CB VAL A 18 -0.745 -5.224 3.630 1.00 0.00 C ATOM 304 CG1 VAL A 18 0.214 -5.607 2.501 1.00 0.00 C ATOM 305 CG2 VAL A 18 -1.408 -3.874 3.352 1.00 0.00 C ATOM 0 H VAL A 18 -2.731 -4.858 5.031 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.172 -6.589 2.866 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.162 -5.129 4.546 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.950 -4.815 2.364 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.724 -6.536 2.756 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.348 -5.743 1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.640 -3.116 3.199 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.027 -3.950 2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.031 -3.593 4.201 1.00 0.00 H new ATOM 315 N ASP A 19 -0.781 -7.435 5.729 1.00 0.00 N ATOM 316 CA ASP A 19 -0.206 -8.554 6.457 1.00 0.00 C ATOM 317 C ASP A 19 -1.176 -9.736 6.415 1.00 0.00 C ATOM 318 O ASP A 19 -0.752 -10.889 6.357 1.00 0.00 O ATOM 319 CB ASP A 19 0.033 -8.191 7.925 1.00 0.00 C ATOM 320 CG ASP A 19 0.412 -9.367 8.827 1.00 0.00 C ATOM 321 OD1 ASP A 19 1.216 -10.203 8.363 1.00 0.00 O ATOM 322 OD2 ASP A 19 -0.112 -9.402 9.962 1.00 0.00 O ATOM 0 H ASP A 19 -0.814 -6.559 6.250 1.00 0.00 H new ATOM 0 HA ASP A 19 0.745 -8.809 5.988 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.825 -7.444 7.975 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.870 -7.725 8.320 1.00 0.00 H new ATOM 327 N GLN A 20 -2.460 -9.409 6.445 1.00 0.00 N ATOM 328 CA GLN A 20 -3.493 -10.430 6.411 1.00 0.00 C ATOM 329 C GLN A 20 -3.395 -11.241 5.117 1.00 0.00 C ATOM 330 O GLN A 20 -3.357 -12.470 5.152 1.00 0.00 O ATOM 331 CB GLN A 20 -4.883 -9.809 6.565 1.00 0.00 C ATOM 332 CG GLN A 20 -5.934 -10.882 6.856 1.00 0.00 C ATOM 333 CD GLN A 20 -5.484 -11.794 7.999 1.00 0.00 C ATOM 334 OE1 GLN A 20 -4.805 -11.383 8.925 1.00 0.00 O ATOM 335 NE2 GLN A 20 -5.900 -13.052 7.883 1.00 0.00 N ATOM 0 H GLN A 20 -2.808 -8.451 6.492 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.337 -11.105 7.253 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.871 -9.078 7.373 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.148 -9.273 5.654 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.881 -10.408 7.115 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.110 -11.476 5.959 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -6.466 -13.330 7.082 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.653 -13.739 8.596 1.00 0.00 H new ATOM 344 N LEU A 21 -3.357 -10.520 4.006 1.00 0.00 N ATOM 345 CA LEU A 21 -3.265 -11.157 2.703 1.00 0.00 C ATOM 346 C LEU A 21 -1.907 -11.850 2.575 1.00 0.00 C ATOM 347 O LEU A 21 -1.826 -12.980 2.096 1.00 0.00 O ATOM 348 CB LEU A 21 -3.546 -10.145 1.591 1.00 0.00 C ATOM 349 CG LEU A 21 -3.020 -10.512 0.201 1.00 0.00 C ATOM 350 CD1 LEU A 21 -1.520 -10.234 0.093 1.00 0.00 C ATOM 351 CD2 LEU A 21 -3.362 -11.961 -0.149 1.00 0.00 C ATOM 0 H LEU A 21 -3.388 -9.501 3.981 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.029 -11.928 2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.624 -10.000 1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.113 -9.187 1.880 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.518 -9.878 -0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.171 -10.503 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.333 -9.175 0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.986 -10.826 0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.977 -12.196 -1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.909 -12.629 0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.444 -12.092 -0.139 1.00 0.00 H new ATOM 363 N LYS A 22 -0.874 -11.144 3.011 1.00 0.00 N ATOM 364 CA LYS A 22 0.476 -11.677 2.950 1.00 0.00 C ATOM 365 C LYS A 22 0.492 -13.083 3.554 1.00 0.00 C ATOM 366 O LYS A 22 0.844 -14.048 2.878 1.00 0.00 O ATOM 367 CB LYS A 22 1.463 -10.713 3.612 1.00 0.00 C ATOM 368 CG LYS A 22 1.782 -9.536 2.688 1.00 0.00 C ATOM 369 CD LYS A 22 3.226 -9.066 2.877 1.00 0.00 C ATOM 370 CE LYS A 22 3.329 -8.057 4.022 1.00 0.00 C ATOM 371 NZ LYS A 22 4.011 -8.664 5.187 1.00 0.00 N ATOM 0 H LYS A 22 -0.945 -10.207 3.408 1.00 0.00 H new ATOM 0 HA LYS A 22 0.802 -11.770 1.914 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.043 -10.343 4.547 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.382 -11.243 3.863 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.625 -9.831 1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.098 -8.712 2.893 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.867 -9.923 3.084 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.588 -8.613 1.954 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.878 -7.176 3.690 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.333 -7.722 4.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.881 -8.056 6.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.606 -9.603 5.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.026 -8.760 4.984 1.00 0.00 H new ATOM 385 N ASN A 23 0.107 -13.153 4.820 1.00 0.00 N ATOM 386 CA ASN A 23 0.072 -14.425 5.522 1.00 0.00 C ATOM 387 C ASN A 23 -0.617 -15.470 4.642 1.00 0.00 C ATOM 388 O ASN A 23 -0.375 -16.667 4.788 1.00 0.00 O ATOM 389 CB ASN A 23 -0.716 -14.312 6.828 1.00 0.00 C ATOM 390 CG ASN A 23 0.223 -14.120 8.020 1.00 0.00 C ATOM 391 OD1 ASN A 23 1.327 -13.617 7.899 1.00 0.00 O ATOM 392 ND2 ASN A 23 -0.276 -14.550 9.176 1.00 0.00 N ATOM 0 H ASN A 23 -0.183 -12.350 5.378 1.00 0.00 H new ATOM 0 HA ASN A 23 1.099 -14.715 5.745 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.409 -13.473 6.767 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.316 -15.210 6.974 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.274 -14.468 10.031 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.209 -14.962 9.207 1.00 0.00 H new ATOM 399 N TYR A 24 -1.463 -14.979 3.748 1.00 0.00 N ATOM 400 CA TYR A 24 -2.190 -15.855 2.845 1.00 0.00 C ATOM 401 C TYR A 24 -1.596 -15.803 1.436 1.00 0.00 C ATOM 402 O TYR A 24 -2.329 -15.837 0.448 1.00 0.00 O ATOM 403 CB TYR A 24 -3.623 -15.322 2.802 1.00 0.00 C ATOM 404 CG TYR A 24 -4.546 -15.932 3.858 1.00 0.00 C ATOM 405 CD1 TYR A 24 -4.585 -17.300 4.034 1.00 0.00 C ATOM 406 CD2 TYR A 24 -5.340 -15.114 4.637 1.00 0.00 C ATOM 407 CE1 TYR A 24 -5.454 -17.874 5.028 1.00 0.00 C ATOM 408 CE2 TYR A 24 -6.209 -15.688 5.631 1.00 0.00 C ATOM 409 CZ TYR A 24 -6.223 -17.040 5.778 1.00 0.00 C ATOM 410 OH TYR A 24 -7.043 -17.582 6.717 1.00 0.00 O ATOM 0 H TYR A 24 -1.661 -13.985 3.630 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.139 -16.888 3.189 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.601 -14.240 2.934 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.042 -15.514 1.814 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.963 -17.940 3.426 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.309 -14.043 4.501 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -5.494 -18.943 5.175 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -6.836 -15.059 6.246 1.00 0.00 H new ATOM 0 HH TYR A 24 -7.531 -16.867 7.177 1.00 0.00 H new ATOM 420 N VAL A 25 -0.275 -15.723 1.387 1.00 0.00 N ATOM 421 CA VAL A 25 0.425 -15.666 0.115 1.00 0.00 C ATOM 422 C VAL A 25 0.137 -16.942 -0.678 1.00 0.00 C ATOM 423 O VAL A 25 0.157 -16.931 -1.908 1.00 0.00 O ATOM 424 CB VAL A 25 1.919 -15.433 0.350 1.00 0.00 C ATOM 425 CG1 VAL A 25 2.747 -15.960 -0.824 1.00 0.00 C ATOM 426 CG2 VAL A 25 2.209 -13.953 0.605 1.00 0.00 C ATOM 0 H VAL A 25 0.330 -15.696 2.208 1.00 0.00 H new ATOM 0 HA VAL A 25 0.068 -14.825 -0.480 1.00 0.00 H new ATOM 0 HB VAL A 25 2.209 -15.990 1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.805 -15.782 -0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.574 -17.030 -0.940 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.452 -15.444 -1.738 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.278 -13.815 0.769 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.896 -13.367 -0.259 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.661 -13.621 1.487 1.00 0.00 H new ATOM 436 N ASN A 26 -0.125 -18.012 0.058 1.00 0.00 N ATOM 437 CA ASN A 26 -0.417 -19.294 -0.561 1.00 0.00 C ATOM 438 C ASN A 26 -1.533 -19.114 -1.593 1.00 0.00 C ATOM 439 O ASN A 26 -1.694 -19.942 -2.489 1.00 0.00 O ATOM 440 CB ASN A 26 -0.893 -20.311 0.477 1.00 0.00 C ATOM 441 CG ASN A 26 -0.409 -21.720 0.126 1.00 0.00 C ATOM 442 OD1 ASN A 26 0.412 -21.921 -0.753 1.00 0.00 O ATOM 443 ND2 ASN A 26 -0.963 -22.681 0.861 1.00 0.00 N ATOM 0 H ASN A 26 -0.141 -18.018 1.078 1.00 0.00 H new ATOM 0 HA ASN A 26 0.497 -19.658 -1.030 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.522 -20.030 1.463 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.982 -20.299 0.530 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.706 -23.656 0.704 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.645 -22.443 1.582 1.00 0.00 H new ATOM 450 N ASP A 27 -2.274 -18.028 -1.433 1.00 0.00 N ATOM 451 CA ASP A 27 -3.370 -17.729 -2.339 1.00 0.00 C ATOM 452 C ASP A 27 -3.057 -16.441 -3.104 1.00 0.00 C ATOM 453 O ASP A 27 -3.907 -15.560 -3.217 1.00 0.00 O ATOM 454 CB ASP A 27 -4.677 -17.518 -1.572 1.00 0.00 C ATOM 455 CG ASP A 27 -5.517 -18.780 -1.367 1.00 0.00 C ATOM 456 OD1 ASP A 27 -5.028 -19.677 -0.647 1.00 0.00 O ATOM 457 OD2 ASP A 27 -6.631 -18.818 -1.935 1.00 0.00 O ATOM 0 H ASP A 27 -2.137 -17.344 -0.689 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.484 -18.572 -3.020 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.443 -17.093 -0.596 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.279 -16.782 -2.105 1.00 0.00 H new ATOM 462 N LEU A 28 -1.834 -16.373 -3.609 1.00 0.00 N ATOM 463 CA LEU A 28 -1.398 -15.208 -4.359 1.00 0.00 C ATOM 464 C LEU A 28 -0.983 -15.640 -5.767 1.00 0.00 C ATOM 465 O LEU A 28 -0.205 -16.580 -5.928 1.00 0.00 O ATOM 466 CB LEU A 28 -0.302 -14.459 -3.598 1.00 0.00 C ATOM 467 CG LEU A 28 -0.780 -13.512 -2.495 1.00 0.00 C ATOM 468 CD1 LEU A 28 0.404 -12.830 -1.807 1.00 0.00 C ATOM 469 CD2 LEU A 28 -1.787 -12.498 -3.041 1.00 0.00 C ATOM 0 H LEU A 28 -1.131 -17.106 -3.513 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.218 -14.498 -4.471 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.371 -15.193 -3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.283 -13.884 -4.316 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.296 -14.103 -1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.037 -12.163 -1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.051 -13.586 -1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.969 -12.255 -2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.111 -11.837 -2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.319 -11.908 -3.829 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.650 -13.025 -3.447 1.00 0.00 H new ATOM 481 N VAL A 29 -1.519 -14.933 -6.751 1.00 0.00 N ATOM 482 CA VAL A 29 -1.214 -15.232 -8.140 1.00 0.00 C ATOM 483 C VAL A 29 -0.143 -14.262 -8.642 1.00 0.00 C ATOM 484 O VAL A 29 -0.299 -13.047 -8.530 1.00 0.00 O ATOM 485 CB VAL A 29 -2.495 -15.193 -8.977 1.00 0.00 C ATOM 486 CG1 VAL A 29 -2.667 -13.832 -9.654 1.00 0.00 C ATOM 487 CG2 VAL A 29 -2.510 -16.324 -10.007 1.00 0.00 C ATOM 0 H VAL A 29 -2.163 -14.154 -6.614 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.810 -16.240 -8.234 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.340 -15.341 -8.304 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.585 -13.832 -10.242 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.722 -13.052 -8.894 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.817 -13.641 -10.308 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.430 -16.274 -10.589 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.654 -16.221 -10.673 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.457 -17.284 -9.494 1.00 0.00 H new ATOM 497 N PRO A 30 0.950 -14.850 -9.199 1.00 0.00 N ATOM 498 CA PRO A 30 2.047 -14.052 -9.718 1.00 0.00 C ATOM 499 C PRO A 30 1.670 -13.406 -11.054 1.00 0.00 C ATOM 500 O PRO A 30 1.542 -14.094 -12.065 1.00 0.00 O ATOM 501 CB PRO A 30 3.215 -15.016 -9.833 1.00 0.00 C ATOM 502 CG PRO A 30 2.609 -16.410 -9.817 1.00 0.00 C ATOM 503 CD PRO A 30 1.168 -16.286 -9.348 1.00 0.00 C ATOM 0 HA PRO A 30 2.302 -13.215 -9.069 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.774 -14.844 -10.753 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.913 -14.884 -9.006 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.650 -16.856 -10.811 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.172 -17.064 -9.151 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.477 -16.719 -10.072 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.012 -16.810 -8.405 1.00 0.00 H new ATOM 511 N GLU A 31 1.504 -12.092 -11.013 1.00 0.00 N ATOM 512 CA GLU A 31 1.146 -11.346 -12.207 1.00 0.00 C ATOM 513 C GLU A 31 1.902 -10.017 -12.250 1.00 0.00 C ATOM 514 O GLU A 31 2.448 -9.577 -11.240 1.00 0.00 O ATOM 515 CB GLU A 31 -0.366 -11.120 -12.279 1.00 0.00 C ATOM 516 CG GLU A 31 -1.091 -12.395 -12.713 1.00 0.00 C ATOM 517 CD GLU A 31 -1.022 -12.576 -14.231 1.00 0.00 C ATOM 518 OE1 GLU A 31 -0.043 -13.207 -14.683 1.00 0.00 O ATOM 519 OE2 GLU A 31 -1.950 -12.078 -14.904 1.00 0.00 O ATOM 0 H GLU A 31 1.611 -11.525 -10.172 1.00 0.00 H new ATOM 0 HA GLU A 31 1.435 -11.933 -13.079 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.736 -10.801 -11.305 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.584 -10.316 -12.982 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.643 -13.258 -12.220 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.133 -12.351 -12.395 1.00 0.00 H new ATOM 526 N PHE A 32 1.909 -9.415 -13.430 1.00 0.00 N ATOM 527 CA PHE A 32 2.589 -8.144 -13.618 1.00 0.00 C ATOM 528 C PHE A 32 1.948 -7.048 -12.765 1.00 0.00 C ATOM 529 O PHE A 32 0.990 -6.405 -13.193 1.00 0.00 O ATOM 530 CB PHE A 32 2.447 -7.774 -15.096 1.00 0.00 C ATOM 531 CG PHE A 32 3.603 -8.258 -15.973 1.00 0.00 C ATOM 532 CD1 PHE A 32 4.884 -8.159 -15.524 1.00 0.00 C ATOM 533 CD2 PHE A 32 3.351 -8.786 -17.200 1.00 0.00 C ATOM 534 CE1 PHE A 32 5.957 -8.608 -16.339 1.00 0.00 C ATOM 535 CE2 PHE A 32 4.425 -9.234 -18.014 1.00 0.00 C ATOM 536 CZ PHE A 32 5.705 -9.136 -17.566 1.00 0.00 C ATOM 0 H PHE A 32 1.455 -9.783 -14.266 1.00 0.00 H new ATOM 0 HA PHE A 32 3.634 -8.234 -13.321 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.516 -8.193 -15.477 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.368 -6.690 -15.183 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.084 -7.740 -14.549 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.334 -8.865 -17.556 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.974 -8.530 -15.984 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.225 -9.653 -18.989 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.521 -9.478 -18.185 1.00 0.00 H new ATOM 546 N LEU A 33 2.501 -6.868 -11.575 1.00 0.00 N ATOM 547 CA LEU A 33 1.995 -5.860 -10.659 1.00 0.00 C ATOM 548 C LEU A 33 3.038 -4.752 -10.500 1.00 0.00 C ATOM 549 O LEU A 33 4.203 -5.027 -10.216 1.00 0.00 O ATOM 550 CB LEU A 33 1.573 -6.502 -9.336 1.00 0.00 C ATOM 551 CG LEU A 33 0.078 -6.459 -9.016 1.00 0.00 C ATOM 552 CD1 LEU A 33 -0.755 -6.876 -10.230 1.00 0.00 C ATOM 553 CD2 LEU A 33 -0.244 -7.306 -7.783 1.00 0.00 C ATOM 0 H LEU A 33 3.295 -7.403 -11.224 1.00 0.00 H new ATOM 0 HA LEU A 33 1.095 -5.396 -11.063 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.893 -7.544 -9.342 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.112 -6.008 -8.527 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.190 -5.430 -8.779 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.814 -6.837 -9.975 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.556 -6.197 -11.059 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.489 -7.892 -10.522 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.313 -7.258 -7.578 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.044 -8.341 -7.967 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.308 -6.923 -6.924 1.00 0.00 H new ATOM 565 N PRO A 34 2.570 -3.490 -10.695 1.00 0.00 N ATOM 566 CA PRO A 34 3.448 -2.339 -10.576 1.00 0.00 C ATOM 567 C PRO A 34 3.758 -2.035 -9.109 1.00 0.00 C ATOM 568 O PRO A 34 2.893 -1.560 -8.373 1.00 0.00 O ATOM 569 CB PRO A 34 2.712 -1.208 -11.274 1.00 0.00 C ATOM 570 CG PRO A 34 1.257 -1.642 -11.350 1.00 0.00 C ATOM 571 CD PRO A 34 1.196 -3.127 -11.032 1.00 0.00 C ATOM 0 HA PRO A 34 4.423 -2.505 -11.035 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.813 -0.275 -10.719 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.120 -1.032 -12.269 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.652 -1.075 -10.642 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.852 -1.447 -12.343 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.519 -3.327 -10.202 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.833 -3.700 -11.885 1.00 0.00 H new ATOM 579 N ALA A 35 4.994 -2.320 -8.726 1.00 0.00 N ATOM 580 CA ALA A 35 5.428 -2.083 -7.360 1.00 0.00 C ATOM 581 C ALA A 35 6.657 -1.171 -7.371 1.00 0.00 C ATOM 582 O ALA A 35 7.741 -1.589 -7.776 1.00 0.00 O ATOM 583 CB ALA A 35 5.702 -3.422 -6.672 1.00 0.00 C ATOM 0 H ALA A 35 5.709 -2.713 -9.338 1.00 0.00 H new ATOM 0 HA ALA A 35 4.647 -1.578 -6.791 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.028 -3.245 -5.647 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.791 -4.020 -6.665 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.483 -3.956 -7.213 1.00 0.00 H new ATOM 589 N PRO A 36 6.440 0.090 -6.910 1.00 0.00 N ATOM 590 CA PRO A 36 7.517 1.065 -6.863 1.00 0.00 C ATOM 591 C PRO A 36 8.474 0.769 -5.707 1.00 0.00 C ATOM 592 O PRO A 36 8.080 0.814 -4.543 1.00 0.00 O ATOM 593 CB PRO A 36 6.824 2.411 -6.731 1.00 0.00 C ATOM 594 CG PRO A 36 5.416 2.108 -6.242 1.00 0.00 C ATOM 595 CD PRO A 36 5.170 0.619 -6.423 1.00 0.00 C ATOM 0 HA PRO A 36 8.145 1.041 -7.754 1.00 0.00 H new ATOM 0 HB2 PRO A 36 7.352 3.055 -6.027 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.801 2.934 -7.687 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.307 2.388 -5.194 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.684 2.687 -6.805 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.879 0.149 -5.484 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.365 0.434 -7.134 1.00 0.00 H new ATOM 603 N GLU A 37 9.714 0.472 -6.068 1.00 0.00 N ATOM 604 CA GLU A 37 10.731 0.169 -5.075 1.00 0.00 C ATOM 605 C GLU A 37 11.628 1.387 -4.845 1.00 0.00 C ATOM 606 O GLU A 37 12.376 1.788 -5.735 1.00 0.00 O ATOM 607 CB GLU A 37 11.557 -1.050 -5.491 1.00 0.00 C ATOM 608 CG GLU A 37 12.369 -1.590 -4.312 1.00 0.00 C ATOM 609 CD GLU A 37 13.852 -1.246 -4.464 1.00 0.00 C ATOM 610 OE1 GLU A 37 14.296 -1.155 -5.629 1.00 0.00 O ATOM 611 OE2 GLU A 37 14.507 -1.083 -3.413 1.00 0.00 O ATOM 0 H GLU A 37 10.037 0.435 -7.035 1.00 0.00 H new ATOM 0 HA GLU A 37 10.234 -0.074 -4.136 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.896 -1.830 -5.869 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.228 -0.778 -6.306 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.988 -1.170 -3.381 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.248 -2.671 -4.247 1.00 0.00 H new ATOM 618 N ASP A 38 11.523 1.941 -3.646 1.00 0.00 N ATOM 619 CA ASP A 38 12.316 3.105 -3.288 1.00 0.00 C ATOM 620 C ASP A 38 11.613 4.369 -3.789 1.00 0.00 C ATOM 621 O ASP A 38 11.809 4.781 -4.931 1.00 0.00 O ATOM 622 CB ASP A 38 13.702 3.048 -3.934 1.00 0.00 C ATOM 623 CG ASP A 38 14.807 3.767 -3.158 1.00 0.00 C ATOM 624 OD1 ASP A 38 14.646 4.987 -2.940 1.00 0.00 O ATOM 625 OD2 ASP A 38 15.788 3.080 -2.799 1.00 0.00 O ATOM 0 H ASP A 38 10.901 1.606 -2.910 1.00 0.00 H new ATOM 0 HA ASP A 38 12.424 3.119 -2.203 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.986 2.003 -4.057 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.639 3.481 -4.932 1.00 0.00 H new ATOM 630 N VAL A 39 10.810 4.949 -2.909 1.00 0.00 N ATOM 631 CA VAL A 39 10.077 6.157 -3.248 1.00 0.00 C ATOM 632 C VAL A 39 10.607 7.321 -2.408 1.00 0.00 C ATOM 633 O VAL A 39 10.859 7.167 -1.214 1.00 0.00 O ATOM 634 CB VAL A 39 8.576 5.926 -3.068 1.00 0.00 C ATOM 635 CG1 VAL A 39 7.863 5.877 -4.422 1.00 0.00 C ATOM 636 CG2 VAL A 39 8.309 4.653 -2.262 1.00 0.00 C ATOM 0 H VAL A 39 10.651 4.605 -1.962 1.00 0.00 H new ATOM 0 HA VAL A 39 10.229 6.415 -4.296 1.00 0.00 H new ATOM 0 HB VAL A 39 8.173 6.769 -2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.797 5.712 -4.266 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.011 6.822 -4.946 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.273 5.063 -5.020 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.234 4.513 -2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.734 3.796 -2.784 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.769 4.742 -1.278 1.00 0.00 H new ATOM 646 N GLU A 40 10.761 8.461 -3.066 1.00 0.00 N ATOM 647 CA GLU A 40 11.257 9.651 -2.396 1.00 0.00 C ATOM 648 C GLU A 40 10.380 9.983 -1.187 1.00 0.00 C ATOM 649 O GLU A 40 9.201 9.634 -1.156 1.00 0.00 O ATOM 650 CB GLU A 40 11.329 10.835 -3.362 1.00 0.00 C ATOM 651 CG GLU A 40 11.879 12.080 -2.663 1.00 0.00 C ATOM 652 CD GLU A 40 12.590 12.999 -3.659 1.00 0.00 C ATOM 653 OE1 GLU A 40 12.004 13.228 -4.739 1.00 0.00 O ATOM 654 OE2 GLU A 40 13.705 13.450 -3.318 1.00 0.00 O ATOM 0 H GLU A 40 10.551 8.586 -4.056 1.00 0.00 H new ATOM 0 HA GLU A 40 12.269 9.450 -2.043 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.964 10.579 -4.210 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.336 11.045 -3.760 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.064 12.621 -2.181 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.573 11.783 -1.877 1.00 0.00 H new ATOM 661 N THR A 41 10.989 10.654 -0.220 1.00 0.00 N ATOM 662 CA THR A 41 10.279 11.038 0.988 1.00 0.00 C ATOM 663 C THR A 41 8.855 11.484 0.650 1.00 0.00 C ATOM 664 O THR A 41 7.941 11.321 1.458 1.00 0.00 O ATOM 665 CB THR A 41 11.101 12.115 1.698 1.00 0.00 C ATOM 666 OG1 THR A 41 12.066 11.379 2.445 1.00 0.00 O ATOM 667 CG2 THR A 41 10.294 12.859 2.764 1.00 0.00 C ATOM 0 H THR A 41 11.967 10.942 -0.249 1.00 0.00 H new ATOM 0 HA THR A 41 10.169 10.193 1.668 1.00 0.00 H new ATOM 0 HB THR A 41 11.477 12.827 0.964 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.643 12.001 2.936 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.924 13.612 3.237 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.436 13.344 2.298 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.946 12.152 3.517 1.00 0.00 H new ATOM 675 N ASN A 42 8.710 12.038 -0.545 1.00 0.00 N ATOM 676 CA ASN A 42 7.413 12.509 -0.999 1.00 0.00 C ATOM 677 C ASN A 42 7.056 11.816 -2.316 1.00 0.00 C ATOM 678 O ASN A 42 6.707 12.476 -3.294 1.00 0.00 O ATOM 679 CB ASN A 42 7.431 14.018 -1.249 1.00 0.00 C ATOM 680 CG ASN A 42 7.227 14.792 0.055 1.00 0.00 C ATOM 681 OD1 ASN A 42 8.047 14.765 0.958 1.00 0.00 O ATOM 682 ND2 ASN A 42 6.091 15.481 0.103 1.00 0.00 N ATOM 0 H ASN A 42 9.470 12.171 -1.213 1.00 0.00 H new ATOM 0 HA ASN A 42 6.681 12.281 -0.224 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.381 14.304 -1.701 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.647 14.282 -1.959 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.862 16.030 0.931 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.448 15.460 -0.689 1.00 0.00 H new ATOM 689 N CYS A 43 7.157 10.495 -2.300 1.00 0.00 N ATOM 690 CA CYS A 43 6.850 9.706 -3.480 1.00 0.00 C ATOM 691 C CYS A 43 5.903 8.576 -3.070 1.00 0.00 C ATOM 692 O CYS A 43 4.970 8.247 -3.800 1.00 0.00 O ATOM 693 CB CYS A 43 8.118 9.174 -4.151 1.00 0.00 C ATOM 694 SG CYS A 43 7.878 8.535 -5.849 1.00 0.00 S ATOM 0 H CYS A 43 7.447 9.951 -1.487 1.00 0.00 H new ATOM 0 HA CYS A 43 6.362 10.335 -4.224 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.859 9.973 -4.180 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.532 8.377 -3.533 1.00 0.00 H new ATOM 699 N GLU A 44 6.177 8.013 -1.902 1.00 0.00 N ATOM 700 CA GLU A 44 5.362 6.926 -1.386 1.00 0.00 C ATOM 701 C GLU A 44 3.894 7.137 -1.765 1.00 0.00 C ATOM 702 O GLU A 44 3.172 6.176 -2.024 1.00 0.00 O ATOM 703 CB GLU A 44 5.522 6.793 0.129 1.00 0.00 C ATOM 704 CG GLU A 44 6.749 5.948 0.478 1.00 0.00 C ATOM 705 CD GLU A 44 7.939 6.836 0.850 1.00 0.00 C ATOM 706 OE1 GLU A 44 7.763 7.665 1.768 1.00 0.00 O ATOM 707 OE2 GLU A 44 8.997 6.666 0.207 1.00 0.00 O ATOM 0 H GLU A 44 6.952 8.289 -1.299 1.00 0.00 H new ATOM 0 HA GLU A 44 5.704 5.995 -1.838 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.618 7.782 0.577 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.628 6.336 0.554 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.513 5.283 1.309 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.013 5.316 -0.370 1.00 0.00 H new ATOM 714 N TRP A 45 3.498 8.401 -1.787 1.00 0.00 N ATOM 715 CA TRP A 45 2.130 8.751 -2.130 1.00 0.00 C ATOM 716 C TRP A 45 1.944 8.516 -3.631 1.00 0.00 C ATOM 717 O TRP A 45 1.071 7.752 -4.039 1.00 0.00 O ATOM 718 CB TRP A 45 1.807 10.185 -1.705 1.00 0.00 C ATOM 719 CG TRP A 45 1.597 10.355 -0.199 1.00 0.00 C ATOM 720 CD1 TRP A 45 2.414 10.942 0.686 1.00 0.00 C ATOM 721 CD2 TRP A 45 0.459 9.908 0.566 1.00 0.00 C ATOM 722 NE1 TRP A 45 1.888 10.906 1.961 1.00 0.00 N ATOM 723 CE2 TRP A 45 0.661 10.257 1.886 1.00 0.00 C ATOM 724 CE3 TRP A 45 -0.703 9.230 0.157 1.00 0.00 C ATOM 725 CZ2 TRP A 45 -0.257 9.971 2.904 1.00 0.00 C ATOM 726 CZ3 TRP A 45 -1.610 8.951 1.187 1.00 0.00 C ATOM 727 CH2 TRP A 45 -1.422 9.296 2.520 1.00 0.00 C ATOM 0 H TRP A 45 4.101 9.196 -1.573 1.00 0.00 H new ATOM 0 HA TRP A 45 1.424 8.121 -1.589 1.00 0.00 H new ATOM 0 HB2 TRP A 45 2.618 10.839 -2.025 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.908 10.514 -2.226 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.365 11.387 0.433 1.00 0.00 H new ATOM 0 HE1 TRP A 45 2.320 11.286 2.803 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -0.882 8.947 -0.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -0.076 10.256 3.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -2.520 8.431 0.927 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -2.171 9.045 3.256 1.00 0.00 H new ATOM 738 N SER A 46 2.780 9.187 -4.410 1.00 0.00 N ATOM 739 CA SER A 46 2.719 9.060 -5.856 1.00 0.00 C ATOM 740 C SER A 46 2.835 7.589 -6.258 1.00 0.00 C ATOM 741 O SER A 46 2.457 7.212 -7.367 1.00 0.00 O ATOM 742 CB SER A 46 3.820 9.883 -6.528 1.00 0.00 C ATOM 743 OG SER A 46 3.821 11.237 -6.084 1.00 0.00 O ATOM 0 H SER A 46 3.503 9.820 -4.067 1.00 0.00 H new ATOM 0 HA SER A 46 1.757 9.447 -6.193 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.790 9.432 -6.317 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.684 9.856 -7.609 1.00 0.00 H new ATOM 0 HG SER A 46 4.539 11.729 -6.535 1.00 0.00 H new ATOM 749 N ALA A 47 3.361 6.796 -5.336 1.00 0.00 N ATOM 750 CA ALA A 47 3.532 5.374 -5.581 1.00 0.00 C ATOM 751 C ALA A 47 2.303 4.621 -5.068 1.00 0.00 C ATOM 752 O ALA A 47 2.084 3.465 -5.427 1.00 0.00 O ATOM 753 CB ALA A 47 4.826 4.895 -4.920 1.00 0.00 C ATOM 0 H ALA A 47 3.674 7.111 -4.418 1.00 0.00 H new ATOM 0 HA ALA A 47 3.618 5.176 -6.649 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.955 3.828 -5.103 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.672 5.440 -5.339 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.774 5.075 -3.846 1.00 0.00 H new ATOM 759 N PHE A 48 1.532 5.307 -4.238 1.00 0.00 N ATOM 760 CA PHE A 48 0.330 4.718 -3.672 1.00 0.00 C ATOM 761 C PHE A 48 -0.648 4.305 -4.774 1.00 0.00 C ATOM 762 O PHE A 48 -1.183 3.197 -4.751 1.00 0.00 O ATOM 763 CB PHE A 48 -0.326 5.790 -2.800 1.00 0.00 C ATOM 764 CG PHE A 48 -1.358 5.242 -1.812 1.00 0.00 C ATOM 765 CD1 PHE A 48 -2.522 4.707 -2.270 1.00 0.00 C ATOM 766 CD2 PHE A 48 -1.112 5.290 -0.475 1.00 0.00 C ATOM 767 CE1 PHE A 48 -3.479 4.199 -1.353 1.00 0.00 C ATOM 768 CE2 PHE A 48 -2.069 4.782 0.442 1.00 0.00 C ATOM 769 CZ PHE A 48 -3.233 4.247 -0.016 1.00 0.00 C ATOM 0 H PHE A 48 1.716 6.266 -3.943 1.00 0.00 H new ATOM 0 HA PHE A 48 0.586 3.828 -3.098 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.450 6.317 -2.244 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.810 6.523 -3.446 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.718 4.669 -3.331 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.188 5.715 -0.111 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.403 3.774 -1.717 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.873 4.820 1.503 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.961 3.861 0.682 1.00 0.00 H new ATOM 779 N SER A 49 -0.853 5.217 -5.713 1.00 0.00 N ATOM 780 CA SER A 49 -1.757 4.961 -6.821 1.00 0.00 C ATOM 781 C SER A 49 -1.339 3.684 -7.553 1.00 0.00 C ATOM 782 O SER A 49 -2.180 2.847 -7.876 1.00 0.00 O ATOM 783 CB SER A 49 -1.787 6.143 -7.791 1.00 0.00 C ATOM 784 OG SER A 49 -2.551 7.233 -7.281 1.00 0.00 O ATOM 0 H SER A 49 -0.408 6.135 -5.729 1.00 0.00 H new ATOM 0 HA SER A 49 -2.762 4.830 -6.420 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.768 6.476 -7.989 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.207 5.820 -8.743 1.00 0.00 H new ATOM 0 HG SER A 49 -2.679 7.901 -7.986 1.00 0.00 H new ATOM 790 N CYS A 50 -0.041 3.575 -7.793 1.00 0.00 N ATOM 791 CA CYS A 50 0.498 2.414 -8.481 1.00 0.00 C ATOM 792 C CYS A 50 -0.180 1.164 -7.917 1.00 0.00 C ATOM 793 O CYS A 50 -0.751 0.372 -8.666 1.00 0.00 O ATOM 794 CB CYS A 50 2.022 2.341 -8.358 1.00 0.00 C ATOM 795 SG CYS A 50 2.913 2.195 -9.949 1.00 0.00 S ATOM 0 H CYS A 50 0.654 4.272 -7.523 1.00 0.00 H new ATOM 0 HA CYS A 50 0.288 2.490 -9.548 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.374 3.234 -7.841 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.282 1.487 -7.732 1.00 0.00 H new ATOM 800 N PHE A 51 -0.096 1.026 -6.602 1.00 0.00 N ATOM 801 CA PHE A 51 -0.695 -0.115 -5.930 1.00 0.00 C ATOM 802 C PHE A 51 -2.164 -0.276 -6.327 1.00 0.00 C ATOM 803 O PHE A 51 -2.654 -1.396 -6.465 1.00 0.00 O ATOM 804 CB PHE A 51 -0.612 0.158 -4.427 1.00 0.00 C ATOM 805 CG PHE A 51 0.817 0.202 -3.880 1.00 0.00 C ATOM 806 CD1 PHE A 51 1.781 -0.580 -4.435 1.00 0.00 C ATOM 807 CD2 PHE A 51 1.121 1.023 -2.840 1.00 0.00 C ATOM 808 CE1 PHE A 51 3.107 -0.539 -3.928 1.00 0.00 C ATOM 809 CE2 PHE A 51 2.447 1.064 -2.333 1.00 0.00 C ATOM 810 CZ PHE A 51 3.412 0.282 -2.887 1.00 0.00 C ATOM 0 H PHE A 51 0.378 1.685 -5.984 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.170 -1.029 -6.207 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.101 1.108 -4.213 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.169 -0.614 -3.897 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.538 -1.232 -5.261 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.355 1.644 -2.400 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.873 -1.160 -4.369 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.689 1.716 -1.507 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.420 0.313 -2.501 1.00 0.00 H new ATOM 820 N GLN A 52 -2.825 0.859 -6.499 1.00 0.00 N ATOM 821 CA GLN A 52 -4.228 0.858 -6.877 1.00 0.00 C ATOM 822 C GLN A 52 -4.424 0.089 -8.185 1.00 0.00 C ATOM 823 O GLN A 52 -5.096 -0.941 -8.209 1.00 0.00 O ATOM 824 CB GLN A 52 -4.766 2.285 -6.994 1.00 0.00 C ATOM 825 CG GLN A 52 -6.048 2.457 -6.177 1.00 0.00 C ATOM 826 CD GLN A 52 -7.156 3.088 -7.023 1.00 0.00 C ATOM 827 OE1 GLN A 52 -7.420 4.277 -6.959 1.00 0.00 O ATOM 828 NE2 GLN A 52 -7.788 2.227 -7.817 1.00 0.00 N ATOM 0 H GLN A 52 -2.415 1.786 -6.384 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.795 0.355 -6.094 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.012 2.991 -6.647 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.963 2.518 -8.040 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.378 1.488 -5.803 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.848 3.083 -5.307 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.517 1.244 -7.822 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.544 2.550 -8.421 1.00 0.00 H new ATOM 837 N LYS A 53 -3.826 0.619 -9.242 1.00 0.00 N ATOM 838 CA LYS A 53 -3.927 -0.004 -10.550 1.00 0.00 C ATOM 839 C LYS A 53 -3.366 -1.426 -10.478 1.00 0.00 C ATOM 840 O LYS A 53 -3.608 -2.238 -11.369 1.00 0.00 O ATOM 841 CB LYS A 53 -3.256 0.869 -11.613 1.00 0.00 C ATOM 842 CG LYS A 53 -1.735 0.866 -11.444 1.00 0.00 C ATOM 843 CD LYS A 53 -1.034 0.707 -12.794 1.00 0.00 C ATOM 844 CE LYS A 53 0.359 1.339 -12.767 1.00 0.00 C ATOM 845 NZ LYS A 53 0.257 2.816 -12.758 1.00 0.00 N ATOM 0 H LYS A 53 -3.270 1.474 -9.219 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.971 -0.088 -10.852 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.516 0.503 -12.606 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.632 1.890 -11.541 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.416 1.795 -10.972 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.441 0.054 -10.780 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.952 -0.351 -13.043 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.633 1.173 -13.576 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.902 1.000 -11.884 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.930 1.013 -13.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.152 3.228 -13.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.517 3.114 -13.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.065 3.145 -11.790 1.00 0.00 H new ATOM 859 N ALA A 54 -2.627 -1.682 -9.408 1.00 0.00 N ATOM 860 CA ALA A 54 -2.030 -2.991 -9.208 1.00 0.00 C ATOM 861 C ALA A 54 -3.138 -4.031 -9.031 1.00 0.00 C ATOM 862 O ALA A 54 -3.304 -4.916 -9.870 1.00 0.00 O ATOM 863 CB ALA A 54 -1.081 -2.942 -8.009 1.00 0.00 C ATOM 0 H ALA A 54 -2.428 -1.005 -8.671 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.441 -3.281 -10.079 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.633 -3.924 -7.859 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.296 -2.210 -8.196 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.637 -2.657 -7.116 1.00 0.00 H new ATOM 869 N GLN A 55 -3.869 -3.890 -7.935 1.00 0.00 N ATOM 870 CA GLN A 55 -4.957 -4.806 -7.638 1.00 0.00 C ATOM 871 C GLN A 55 -4.410 -6.209 -7.367 1.00 0.00 C ATOM 872 O GLN A 55 -3.949 -6.888 -8.284 1.00 0.00 O ATOM 873 CB GLN A 55 -5.982 -4.827 -8.773 1.00 0.00 C ATOM 874 CG GLN A 55 -7.078 -5.860 -8.504 1.00 0.00 C ATOM 875 CD GLN A 55 -7.857 -6.180 -9.781 1.00 0.00 C ATOM 876 OE1 GLN A 55 -7.301 -6.326 -10.857 1.00 0.00 O ATOM 877 NE2 GLN A 55 -9.171 -6.280 -9.604 1.00 0.00 N ATOM 0 H GLN A 55 -3.729 -3.155 -7.242 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.466 -4.456 -6.740 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.428 -3.839 -8.883 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.483 -5.058 -9.714 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.633 -6.772 -8.107 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.760 -5.481 -7.743 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -9.572 -6.146 -8.676 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.778 -6.491 -10.396 1.00 0.00 H new ATOM 886 N LEU A 56 -4.480 -6.603 -6.104 1.00 0.00 N ATOM 887 CA LEU A 56 -3.998 -7.913 -5.701 1.00 0.00 C ATOM 888 C LEU A 56 -4.970 -8.985 -6.197 1.00 0.00 C ATOM 889 O LEU A 56 -6.185 -8.823 -6.091 1.00 0.00 O ATOM 890 CB LEU A 56 -3.757 -7.954 -4.190 1.00 0.00 C ATOM 891 CG LEU A 56 -3.047 -9.200 -3.658 1.00 0.00 C ATOM 892 CD1 LEU A 56 -4.020 -10.375 -3.534 1.00 0.00 C ATOM 893 CD2 LEU A 56 -1.832 -9.550 -4.520 1.00 0.00 C ATOM 0 H LEU A 56 -4.863 -6.038 -5.346 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.032 -8.121 -6.161 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.170 -7.079 -3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.719 -7.865 -3.686 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.678 -8.981 -2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.490 -11.248 -3.154 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.824 -10.111 -2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.441 -10.604 -4.513 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.346 -10.440 -4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.155 -9.743 -5.543 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.128 -8.717 -4.512 1.00 0.00 H new ATOM 905 N LYS A 57 -4.400 -10.055 -6.730 1.00 0.00 N ATOM 906 CA LYS A 57 -5.201 -11.153 -7.244 1.00 0.00 C ATOM 907 C LYS A 57 -4.691 -12.470 -6.655 1.00 0.00 C ATOM 908 O LYS A 57 -3.517 -12.807 -6.803 1.00 0.00 O ATOM 909 CB LYS A 57 -5.222 -11.131 -8.773 1.00 0.00 C ATOM 910 CG LYS A 57 -6.584 -11.579 -9.309 1.00 0.00 C ATOM 911 CD LYS A 57 -7.594 -10.431 -9.266 1.00 0.00 C ATOM 912 CE LYS A 57 -7.947 -9.958 -10.678 1.00 0.00 C ATOM 913 NZ LYS A 57 -6.907 -9.040 -11.193 1.00 0.00 N ATOM 0 H LYS A 57 -3.392 -10.185 -6.817 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.240 -11.045 -6.932 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.000 -10.125 -9.129 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.441 -11.786 -9.161 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.476 -11.935 -10.333 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.954 -12.416 -8.717 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.498 -10.756 -8.751 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.182 -9.601 -8.693 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.043 -10.817 -11.342 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.913 -9.453 -10.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.291 -8.075 -11.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.086 -9.052 -10.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.611 -9.347 -12.142 1.00 0.00 H new ATOM 927 N SER A 58 -5.598 -13.180 -6.000 1.00 0.00 N ATOM 928 CA SER A 58 -5.255 -14.452 -5.389 1.00 0.00 C ATOM 929 C SER A 58 -5.257 -15.558 -6.446 1.00 0.00 C ATOM 930 O SER A 58 -5.930 -15.442 -7.469 1.00 0.00 O ATOM 931 CB SER A 58 -6.223 -14.798 -4.256 1.00 0.00 C ATOM 932 OG SER A 58 -6.468 -16.199 -4.173 1.00 0.00 O ATOM 0 H SER A 58 -6.571 -12.898 -5.879 1.00 0.00 H new ATOM 0 HA SER A 58 -4.255 -14.368 -4.963 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.814 -14.445 -3.309 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.166 -14.274 -4.412 1.00 0.00 H new ATOM 0 HG SER A 58 -7.427 -16.370 -4.282 1.00 0.00 H new ATOM 938 N ALA A 59 -4.497 -16.606 -6.162 1.00 0.00 N ATOM 939 CA ALA A 59 -4.403 -17.732 -7.075 1.00 0.00 C ATOM 940 C ALA A 59 -5.801 -18.307 -7.314 1.00 0.00 C ATOM 941 O ALA A 59 -6.019 -19.038 -8.279 1.00 0.00 O ATOM 942 CB ALA A 59 -3.434 -18.770 -6.508 1.00 0.00 C ATOM 0 H ALA A 59 -3.941 -16.699 -5.312 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.009 -17.412 -8.040 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.364 -19.615 -7.193 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.449 -18.319 -6.385 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.797 -19.117 -5.541 1.00 0.00 H new ATOM 948 N ASN A 60 -6.711 -17.957 -6.417 1.00 0.00 N ATOM 949 CA ASN A 60 -8.081 -18.430 -6.518 1.00 0.00 C ATOM 950 C ASN A 60 -8.090 -19.960 -6.515 1.00 0.00 C ATOM 951 O ASN A 60 -8.549 -20.583 -7.471 1.00 0.00 O ATOM 952 CB ASN A 60 -8.734 -17.955 -7.818 1.00 0.00 C ATOM 953 CG ASN A 60 -8.120 -16.635 -8.289 1.00 0.00 C ATOM 954 OD1 ASN A 60 -7.249 -16.596 -9.143 1.00 0.00 O ATOM 955 ND2 ASN A 60 -8.621 -15.560 -7.687 1.00 0.00 N ATOM 0 H ASN A 60 -6.526 -17.352 -5.617 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.638 -18.033 -5.669 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.610 -18.714 -8.590 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.806 -17.828 -7.666 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.277 -14.632 -7.932 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.349 -15.664 -6.980 1.00 0.00 H new ATOM 962 N THR A 61 -7.577 -20.521 -5.430 1.00 0.00 N ATOM 963 CA THR A 61 -7.520 -21.966 -5.291 1.00 0.00 C ATOM 964 C THR A 61 -7.622 -22.364 -3.817 1.00 0.00 C ATOM 965 O THR A 61 -7.071 -23.384 -3.406 1.00 0.00 O ATOM 966 CB THR A 61 -6.237 -22.456 -5.965 1.00 0.00 C ATOM 967 OG1 THR A 61 -6.344 -23.876 -5.924 1.00 0.00 O ATOM 968 CG2 THR A 61 -4.987 -22.152 -5.136 1.00 0.00 C ATOM 0 H THR A 61 -7.197 -20.001 -4.639 1.00 0.00 H new ATOM 0 HA THR A 61 -8.366 -22.444 -5.784 1.00 0.00 H new ATOM 0 HB THR A 61 -6.143 -21.992 -6.947 1.00 0.00 H new ATOM 0 HG1 THR A 61 -6.600 -24.159 -5.021 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.105 -22.521 -5.659 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.900 -21.075 -4.991 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.065 -22.643 -4.166 1.00 0.00 H new ATOM 976 N GLY A 62 -8.332 -21.538 -3.062 1.00 0.00 N ATOM 977 CA GLY A 62 -8.513 -21.791 -1.642 1.00 0.00 C ATOM 978 C GLY A 62 -9.630 -20.917 -1.068 1.00 0.00 C ATOM 979 O GLY A 62 -9.968 -19.881 -1.639 1.00 0.00 O ATOM 0 H GLY A 62 -8.789 -20.693 -3.407 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.751 -22.843 -1.484 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.582 -21.592 -1.112 1.00 0.00 H new ATOM 983 N ASN A 63 -10.172 -21.367 0.054 1.00 0.00 N ATOM 984 CA ASN A 63 -11.243 -20.639 0.712 1.00 0.00 C ATOM 985 C ASN A 63 -10.787 -19.204 0.985 1.00 0.00 C ATOM 986 O ASN A 63 -11.505 -18.252 0.682 1.00 0.00 O ATOM 987 CB ASN A 63 -11.605 -21.282 2.052 1.00 0.00 C ATOM 988 CG ASN A 63 -13.105 -21.165 2.330 1.00 0.00 C ATOM 989 OD1 ASN A 63 -13.819 -20.394 1.710 1.00 0.00 O ATOM 990 ND2 ASN A 63 -13.541 -21.971 3.294 1.00 0.00 N ATOM 0 H ASN A 63 -9.889 -22.227 0.524 1.00 0.00 H new ATOM 0 HA ASN A 63 -12.114 -20.657 0.056 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -11.314 -22.332 2.046 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -11.045 -20.801 2.853 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -14.527 -21.968 3.554 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -12.889 -22.592 3.773 1.00 0.00 H new ATOM 997 N ASN A 64 -9.595 -19.094 1.554 1.00 0.00 N ATOM 998 CA ASN A 64 -9.035 -17.792 1.871 1.00 0.00 C ATOM 999 C ASN A 64 -9.309 -16.828 0.714 1.00 0.00 C ATOM 1000 O ASN A 64 -9.421 -15.621 0.920 1.00 0.00 O ATOM 1001 CB ASN A 64 -7.519 -17.877 2.066 1.00 0.00 C ATOM 1002 CG ASN A 64 -6.924 -19.019 1.240 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -7.463 -19.434 0.228 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -5.784 -19.501 1.728 1.00 0.00 N ATOM 0 H ASN A 64 -9.002 -19.886 1.803 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.499 -17.441 2.793 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.058 -16.934 1.774 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.292 -18.030 3.121 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.307 -20.265 1.249 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.387 -19.107 2.581 1.00 0.00 H new ATOM 1011 N GLU A 65 -9.408 -17.398 -0.478 1.00 0.00 N ATOM 1012 CA GLU A 65 -9.666 -16.605 -1.668 1.00 0.00 C ATOM 1013 C GLU A 65 -10.728 -15.542 -1.376 1.00 0.00 C ATOM 1014 O GLU A 65 -10.751 -14.492 -2.017 1.00 0.00 O ATOM 1015 CB GLU A 65 -10.088 -17.495 -2.839 1.00 0.00 C ATOM 1016 CG GLU A 65 -10.353 -16.660 -4.094 1.00 0.00 C ATOM 1017 CD GLU A 65 -11.712 -15.963 -4.012 1.00 0.00 C ATOM 1018 OE1 GLU A 65 -12.642 -16.595 -3.466 1.00 0.00 O ATOM 1019 OE2 GLU A 65 -11.790 -14.813 -4.496 1.00 0.00 O ATOM 0 H GLU A 65 -9.314 -18.400 -0.645 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.743 -16.100 -1.953 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.307 -18.228 -3.043 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.986 -18.052 -2.572 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.565 -15.916 -4.213 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.322 -17.301 -4.975 1.00 0.00 H new ATOM 1026 N ARG A 66 -11.580 -15.851 -0.410 1.00 0.00 N ATOM 1027 CA ARG A 66 -12.641 -14.936 -0.026 1.00 0.00 C ATOM 1028 C ARG A 66 -12.111 -13.892 0.959 1.00 0.00 C ATOM 1029 O ARG A 66 -12.406 -12.705 0.830 1.00 0.00 O ATOM 1030 CB ARG A 66 -13.810 -15.685 0.615 1.00 0.00 C ATOM 1031 CG ARG A 66 -14.857 -14.709 1.155 1.00 0.00 C ATOM 1032 CD ARG A 66 -16.112 -14.711 0.280 1.00 0.00 C ATOM 1033 NE ARG A 66 -16.168 -13.472 -0.527 1.00 0.00 N ATOM 1034 CZ ARG A 66 -17.178 -13.156 -1.349 1.00 0.00 C ATOM 1035 NH1 ARG A 66 -18.222 -13.986 -1.478 1.00 0.00 N ATOM 1036 NH2 ARG A 66 -17.144 -12.009 -2.042 1.00 0.00 N ATOM 0 H ARG A 66 -11.557 -16.723 0.119 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.995 -14.441 -0.930 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -14.269 -16.347 -0.120 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -13.443 -16.315 1.425 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.121 -14.982 2.177 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.437 -13.704 1.192 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -16.107 -15.582 -0.375 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -17.001 -14.788 0.905 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.389 -12.818 -0.453 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -18.248 -14.859 -0.950 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -18.991 -13.745 -2.104 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -16.349 -11.377 -1.944 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -17.913 -11.768 -2.668 1.00 0.00 H new ATOM 1050 N ILE A 67 -11.336 -14.373 1.921 1.00 0.00 N ATOM 1051 CA ILE A 67 -10.763 -13.496 2.928 1.00 0.00 C ATOM 1052 C ILE A 67 -9.765 -12.547 2.262 1.00 0.00 C ATOM 1053 O ILE A 67 -9.283 -11.606 2.891 1.00 0.00 O ATOM 1054 CB ILE A 67 -10.162 -14.316 4.072 1.00 0.00 C ATOM 1055 CG1 ILE A 67 -10.177 -13.523 5.381 1.00 0.00 C ATOM 1056 CG2 ILE A 67 -8.758 -14.808 3.716 1.00 0.00 C ATOM 1057 CD1 ILE A 67 -11.589 -13.034 5.709 1.00 0.00 C ATOM 0 H ILE A 67 -11.092 -15.358 2.024 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.538 -12.878 3.382 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.783 -15.199 4.223 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -9.807 -14.148 6.193 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -9.502 -12.671 5.302 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.354 -15.388 4.546 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -8.807 -15.435 2.826 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.111 -13.953 3.522 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -11.572 -12.474 6.644 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -11.947 -12.390 4.906 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -12.256 -13.890 5.811 1.00 0.00 H new ATOM 1069 N ILE A 68 -9.484 -12.826 0.998 1.00 0.00 N ATOM 1070 CA ILE A 68 -8.552 -12.009 0.240 1.00 0.00 C ATOM 1071 C ILE A 68 -9.311 -10.855 -0.418 1.00 0.00 C ATOM 1072 O ILE A 68 -8.907 -9.698 -0.308 1.00 0.00 O ATOM 1073 CB ILE A 68 -7.765 -12.871 -0.749 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -6.287 -12.941 -0.360 1.00 0.00 C ATOM 1075 CG2 ILE A 68 -7.957 -12.373 -2.184 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -6.008 -14.165 0.515 1.00 0.00 C ATOM 0 H ILE A 68 -9.886 -13.607 0.479 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.808 -11.566 0.902 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.158 -13.887 -0.705 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.672 -12.984 -1.259 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.005 -12.035 0.176 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.387 -13.003 -2.867 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.014 -12.417 -2.446 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.607 -11.344 -2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -4.950 -14.191 0.777 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.606 -14.106 1.424 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.268 -15.071 -0.033 1.00 0.00 H new ATOM 1088 N ASN A 69 -10.397 -11.210 -1.089 1.00 0.00 N ATOM 1089 CA ASN A 69 -11.217 -10.218 -1.765 1.00 0.00 C ATOM 1090 C ASN A 69 -11.577 -9.103 -0.781 1.00 0.00 C ATOM 1091 O ASN A 69 -11.748 -7.952 -1.177 1.00 0.00 O ATOM 1092 CB ASN A 69 -12.519 -10.836 -2.276 1.00 0.00 C ATOM 1093 CG ASN A 69 -13.505 -9.752 -2.717 1.00 0.00 C ATOM 1094 OD1 ASN A 69 -13.309 -9.062 -3.704 1.00 0.00 O ATOM 1095 ND2 ASN A 69 -14.573 -9.640 -1.932 1.00 0.00 N ATOM 0 H ASN A 69 -10.728 -12.170 -1.179 1.00 0.00 H new ATOM 0 HA ASN A 69 -10.647 -9.828 -2.609 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.306 -11.501 -3.113 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -12.969 -11.445 -1.492 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -15.289 -8.945 -2.141 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -14.676 -10.250 -1.121 1.00 0.00 H new ATOM 1102 N VAL A 70 -11.681 -9.485 0.484 1.00 0.00 N ATOM 1103 CA VAL A 70 -12.017 -8.532 1.528 1.00 0.00 C ATOM 1104 C VAL A 70 -10.887 -7.509 1.662 1.00 0.00 C ATOM 1105 O VAL A 70 -11.133 -6.345 1.974 1.00 0.00 O ATOM 1106 CB VAL A 70 -12.314 -9.270 2.835 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -13.224 -10.475 2.589 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -11.019 -9.694 3.531 1.00 0.00 C ATOM 0 H VAL A 70 -11.538 -10.441 0.809 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.922 -7.984 1.267 1.00 0.00 H new ATOM 0 HB VAL A 70 -12.840 -8.582 3.497 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.420 -10.982 3.534 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -14.166 -10.137 2.156 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -12.736 -11.165 1.901 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -11.258 -10.216 4.457 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.454 -10.357 2.876 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.421 -8.811 3.756 1.00 0.00 H new ATOM 1118 N SER A 71 -9.673 -7.981 1.420 1.00 0.00 N ATOM 1119 CA SER A 71 -8.505 -7.122 1.510 1.00 0.00 C ATOM 1120 C SER A 71 -8.409 -6.237 0.266 1.00 0.00 C ATOM 1121 O SER A 71 -7.969 -5.091 0.348 1.00 0.00 O ATOM 1122 CB SER A 71 -7.226 -7.947 1.675 1.00 0.00 C ATOM 1123 OG SER A 71 -7.320 -8.865 2.761 1.00 0.00 O ATOM 0 H SER A 71 -9.473 -8.947 1.162 1.00 0.00 H new ATOM 0 HA SER A 71 -8.613 -6.489 2.391 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.026 -8.494 0.754 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.381 -7.278 1.838 1.00 0.00 H new ATOM 0 HG SER A 71 -6.485 -9.374 2.833 1.00 0.00 H new ATOM 1129 N ILE A 72 -8.827 -6.803 -0.857 1.00 0.00 N ATOM 1130 CA ILE A 72 -8.793 -6.079 -2.117 1.00 0.00 C ATOM 1131 C ILE A 72 -9.529 -4.748 -1.955 1.00 0.00 C ATOM 1132 O ILE A 72 -8.970 -3.688 -2.233 1.00 0.00 O ATOM 1133 CB ILE A 72 -9.340 -6.950 -3.249 1.00 0.00 C ATOM 1134 CG1 ILE A 72 -8.521 -8.234 -3.399 1.00 0.00 C ATOM 1135 CG2 ILE A 72 -9.416 -6.162 -4.559 1.00 0.00 C ATOM 1136 CD1 ILE A 72 -9.084 -9.117 -4.513 1.00 0.00 C ATOM 0 H ILE A 72 -9.191 -7.754 -0.921 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.765 -5.844 -2.394 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.357 -7.246 -2.991 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.483 -7.984 -3.618 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.524 -8.784 -2.458 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.808 -6.804 -5.348 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.075 -5.303 -4.429 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.419 -5.817 -4.834 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.483 -10.023 -4.598 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.114 -9.386 -4.279 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.056 -8.573 -5.457 1.00 0.00 H new ATOM 1148 N LYS A 73 -10.771 -4.845 -1.506 1.00 0.00 N ATOM 1149 CA LYS A 73 -11.589 -3.661 -1.303 1.00 0.00 C ATOM 1150 C LYS A 73 -10.751 -2.578 -0.623 1.00 0.00 C ATOM 1151 O LYS A 73 -10.413 -1.570 -1.241 1.00 0.00 O ATOM 1152 CB LYS A 73 -12.868 -4.017 -0.543 1.00 0.00 C ATOM 1153 CG LYS A 73 -14.039 -4.223 -1.506 1.00 0.00 C ATOM 1154 CD LYS A 73 -15.300 -4.650 -0.753 1.00 0.00 C ATOM 1155 CE LYS A 73 -16.368 -5.166 -1.719 1.00 0.00 C ATOM 1156 NZ LYS A 73 -17.722 -4.924 -1.173 1.00 0.00 N ATOM 0 H LYS A 73 -11.232 -5.726 -1.277 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.917 -3.256 -2.260 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.708 -4.924 0.040 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.109 -3.222 0.163 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.232 -3.299 -2.052 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.778 -4.981 -2.245 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.051 -5.428 -0.032 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.694 -3.805 -0.188 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.265 -4.669 -2.684 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.225 -6.233 -1.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -18.435 -5.280 -1.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.823 -5.418 -0.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.861 -3.903 -1.030 1.00 0.00 H new ATOM 1170 N LYS A 74 -10.439 -2.822 0.642 1.00 0.00 N ATOM 1171 CA LYS A 74 -9.647 -1.880 1.413 1.00 0.00 C ATOM 1172 C LYS A 74 -8.333 -1.605 0.679 1.00 0.00 C ATOM 1173 O LYS A 74 -8.040 -0.462 0.331 1.00 0.00 O ATOM 1174 CB LYS A 74 -9.458 -2.385 2.845 1.00 0.00 C ATOM 1175 CG LYS A 74 -10.790 -2.413 3.597 1.00 0.00 C ATOM 1176 CD LYS A 74 -10.895 -1.237 4.570 1.00 0.00 C ATOM 1177 CE LYS A 74 -12.277 -0.585 4.494 1.00 0.00 C ATOM 1178 NZ LYS A 74 -12.399 0.491 5.503 1.00 0.00 N ATOM 0 H LYS A 74 -10.721 -3.659 1.152 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.168 -0.927 1.502 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.025 -3.385 2.827 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.753 -1.742 3.371 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.615 -2.375 2.885 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.883 -3.351 4.144 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.708 -1.583 5.586 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.127 -0.499 4.338 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.438 -0.176 3.497 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.049 -1.336 4.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.343 0.923 5.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.266 0.092 6.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.674 1.216 5.327 1.00 0.00 H new ATOM 1192 N LEU A 75 -7.576 -2.671 0.466 1.00 0.00 N ATOM 1193 CA LEU A 75 -6.301 -2.559 -0.220 1.00 0.00 C ATOM 1194 C LEU A 75 -6.427 -1.546 -1.360 1.00 0.00 C ATOM 1195 O LEU A 75 -5.496 -0.788 -1.627 1.00 0.00 O ATOM 1196 CB LEU A 75 -5.812 -3.936 -0.672 1.00 0.00 C ATOM 1197 CG LEU A 75 -4.540 -3.951 -1.522 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -3.388 -4.624 -0.773 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -4.797 -4.602 -2.882 1.00 0.00 C ATOM 0 H LEU A 75 -7.822 -3.617 0.757 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.536 -2.182 0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.640 -4.547 0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.610 -4.415 -1.240 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.243 -2.919 -1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.496 -4.621 -1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.186 -4.079 0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.661 -5.652 -0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.877 -4.600 -3.466 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.132 -5.629 -2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.566 -4.042 -3.414 1.00 0.00 H new ATOM 1211 N LYS A 76 -7.586 -1.567 -2.001 1.00 0.00 N ATOM 1212 CA LYS A 76 -7.846 -0.660 -3.106 1.00 0.00 C ATOM 1213 C LYS A 76 -8.179 0.728 -2.554 1.00 0.00 C ATOM 1214 O LYS A 76 -9.227 1.290 -2.868 1.00 0.00 O ATOM 1215 CB LYS A 76 -8.928 -1.231 -4.025 1.00 0.00 C ATOM 1216 CG LYS A 76 -8.322 -2.189 -5.054 1.00 0.00 C ATOM 1217 CD LYS A 76 -9.409 -2.791 -5.948 1.00 0.00 C ATOM 1218 CE LYS A 76 -9.565 -1.987 -7.239 1.00 0.00 C ATOM 1219 NZ LYS A 76 -10.980 -1.971 -7.672 1.00 0.00 N ATOM 0 H LYS A 76 -8.356 -2.198 -1.776 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.957 -0.552 -3.727 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.676 -1.755 -3.430 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.441 -0.418 -4.538 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.595 -1.657 -5.667 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.784 -2.987 -4.541 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.157 -3.824 -6.187 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.357 -2.810 -5.411 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.215 -0.967 -7.083 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.944 -2.421 -8.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.068 -1.421 -8.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.303 -2.945 -7.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.565 -1.536 -6.931 1.00 0.00 H new ATOM 1233 N ARG A 77 -7.268 1.240 -1.740 1.00 0.00 N ATOM 1234 CA ARG A 77 -7.451 2.551 -1.142 1.00 0.00 C ATOM 1235 C ARG A 77 -7.145 3.649 -2.163 1.00 0.00 C ATOM 1236 O ARG A 77 -6.529 3.387 -3.194 1.00 0.00 O ATOM 1237 CB ARG A 77 -6.545 2.732 0.078 1.00 0.00 C ATOM 1238 CG ARG A 77 -7.297 3.411 1.224 1.00 0.00 C ATOM 1239 CD ARG A 77 -8.556 2.625 1.595 1.00 0.00 C ATOM 1240 NE ARG A 77 -9.763 3.405 1.239 1.00 0.00 N ATOM 1241 CZ ARG A 77 -10.969 3.216 1.791 1.00 0.00 C ATOM 1242 NH1 ARG A 77 -11.138 2.272 2.727 1.00 0.00 N ATOM 1243 NH2 ARG A 77 -12.007 3.971 1.406 1.00 0.00 N ATOM 0 H ARG A 77 -6.401 0.770 -1.481 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.491 2.627 -0.823 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.174 1.761 0.407 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.676 3.330 -0.196 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.645 3.492 2.094 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.570 4.426 0.934 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -8.564 1.668 1.073 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -8.556 2.406 2.663 1.00 0.00 H new ATOM 0 HE ARG A 77 -9.671 4.132 0.529 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -10.348 1.697 3.020 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -12.056 2.129 3.147 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -11.879 4.689 0.693 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -12.925 3.828 1.826 1.00 0.00 H new ATOM 1257 N LYS A 78 -7.591 4.854 -1.840 1.00 0.00 N ATOM 1258 CA LYS A 78 -7.373 5.992 -2.716 1.00 0.00 C ATOM 1259 C LYS A 78 -6.391 6.961 -2.053 1.00 0.00 C ATOM 1260 O LYS A 78 -6.326 7.041 -0.827 1.00 0.00 O ATOM 1261 CB LYS A 78 -8.706 6.636 -3.101 1.00 0.00 C ATOM 1262 CG LYS A 78 -9.284 5.990 -4.362 1.00 0.00 C ATOM 1263 CD LYS A 78 -9.222 6.953 -5.549 1.00 0.00 C ATOM 1264 CE LYS A 78 -10.599 7.553 -5.839 1.00 0.00 C ATOM 1265 NZ LYS A 78 -10.682 8.936 -5.318 1.00 0.00 N ATOM 0 H LYS A 78 -8.102 5.067 -0.984 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.919 5.669 -3.653 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.414 6.534 -2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.563 7.704 -3.268 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.729 5.082 -4.597 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.318 5.695 -4.182 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.510 7.751 -5.338 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.858 6.426 -6.431 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.784 7.551 -6.913 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.374 6.938 -5.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.623 9.328 -5.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.526 8.930 -4.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.955 9.523 -5.774 1.00 0.00 H new ATOM 1279 N PRO A 79 -5.632 7.690 -2.914 1.00 0.00 N ATOM 1280 CA PRO A 79 -4.657 8.650 -2.424 1.00 0.00 C ATOM 1281 C PRO A 79 -5.345 9.914 -1.905 1.00 0.00 C ATOM 1282 O PRO A 79 -6.558 10.065 -2.040 1.00 0.00 O ATOM 1283 CB PRO A 79 -3.739 8.916 -3.606 1.00 0.00 C ATOM 1284 CG PRO A 79 -4.503 8.459 -4.838 1.00 0.00 C ATOM 1285 CD PRO A 79 -5.683 7.621 -4.371 1.00 0.00 C ATOM 0 HA PRO A 79 -4.089 8.276 -1.572 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.486 9.974 -3.674 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.801 8.370 -3.503 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.849 9.318 -5.413 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -3.856 7.876 -5.494 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -6.625 8.015 -4.753 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -5.602 6.592 -4.722 1.00 0.00 H new ATOM 1293 N PRO A 80 -4.519 10.813 -1.306 1.00 0.00 N ATOM 1294 CA PRO A 80 -5.035 12.059 -0.765 1.00 0.00 C ATOM 1295 C PRO A 80 -5.358 13.050 -1.885 1.00 0.00 C ATOM 1296 O PRO A 80 -4.929 14.202 -1.843 1.00 0.00 O ATOM 1297 CB PRO A 80 -3.951 12.559 0.175 1.00 0.00 C ATOM 1298 CG PRO A 80 -2.682 11.823 -0.223 1.00 0.00 C ATOM 1299 CD PRO A 80 -3.077 10.667 -1.128 1.00 0.00 C ATOM 0 HA PRO A 80 -5.977 11.928 -0.232 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.822 13.637 0.084 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -4.211 12.356 1.214 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -1.997 12.495 -0.740 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.161 11.455 0.661 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.553 10.714 -2.083 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.829 9.707 -0.676 1.00 0.00 H new ATOM 1307 N SER A 81 -6.113 12.566 -2.861 1.00 0.00 N ATOM 1308 CA SER A 81 -6.499 13.395 -3.990 1.00 0.00 C ATOM 1309 C SER A 81 -5.271 13.722 -4.843 1.00 0.00 C ATOM 1310 O SER A 81 -5.207 13.351 -6.013 1.00 0.00 O ATOM 1311 CB SER A 81 -7.178 14.683 -3.521 1.00 0.00 C ATOM 1312 OG SER A 81 -8.360 14.965 -4.266 1.00 0.00 O ATOM 0 H SER A 81 -6.468 11.610 -2.893 1.00 0.00 H new ATOM 0 HA SER A 81 -7.215 12.838 -4.594 1.00 0.00 H new ATOM 0 HB2 SER A 81 -7.428 14.597 -2.464 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.481 15.516 -3.617 1.00 0.00 H new ATOM 0 HG SER A 81 -8.765 15.794 -3.935 1.00 0.00 H new ATOM 1318 N THR A 82 -4.327 14.415 -4.222 1.00 0.00 N ATOM 1319 CA THR A 82 -3.105 14.796 -4.909 1.00 0.00 C ATOM 1320 C THR A 82 -2.696 13.715 -5.911 1.00 0.00 C ATOM 1321 O THR A 82 -2.492 14.000 -7.090 1.00 0.00 O ATOM 1322 CB THR A 82 -2.037 15.080 -3.851 1.00 0.00 C ATOM 1323 OG1 THR A 82 -0.818 15.112 -4.589 1.00 0.00 O ATOM 1324 CG2 THR A 82 -1.853 13.914 -2.878 1.00 0.00 C ATOM 0 H THR A 82 -4.384 14.722 -3.251 1.00 0.00 H new ATOM 0 HA THR A 82 -3.249 15.702 -5.498 1.00 0.00 H new ATOM 0 HB THR A 82 -2.306 15.978 -3.295 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.072 15.292 -3.980 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.084 14.167 -2.148 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.793 13.719 -2.362 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.550 13.024 -3.430 1.00 0.00 H new ATOM 1332 N ASN A 83 -2.589 12.495 -5.405 1.00 0.00 N ATOM 1333 CA ASN A 83 -2.209 11.369 -6.240 1.00 0.00 C ATOM 1334 C ASN A 83 -1.013 11.765 -7.109 1.00 0.00 C ATOM 1335 O ASN A 83 -0.445 12.842 -6.935 1.00 0.00 O ATOM 1336 CB ASN A 83 -3.354 10.960 -7.170 1.00 0.00 C ATOM 1337 CG ASN A 83 -3.542 11.985 -8.290 1.00 0.00 C ATOM 1338 OD1 ASN A 83 -4.316 12.922 -8.186 1.00 0.00 O ATOM 1339 ND2 ASN A 83 -2.794 11.755 -9.365 1.00 0.00 N ATOM 0 H ASN A 83 -2.759 12.262 -4.427 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.960 10.533 -5.586 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.146 9.980 -7.600 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.277 10.868 -6.598 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.848 12.382 -10.168 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -2.166 10.952 -9.387 1.00 0.00 H new ATOM 1346 N ALA A 84 -0.667 10.873 -8.026 1.00 0.00 N ATOM 1347 CA ALA A 84 0.451 11.116 -8.922 1.00 0.00 C ATOM 1348 C ALA A 84 0.791 9.824 -9.668 1.00 0.00 C ATOM 1349 O ALA A 84 0.375 8.741 -9.261 1.00 0.00 O ATOM 1350 CB ALA A 84 1.638 11.658 -8.123 1.00 0.00 C ATOM 0 H ALA A 84 -1.141 9.981 -8.168 1.00 0.00 H new ATOM 0 HA ALA A 84 0.190 11.868 -9.667 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.476 11.840 -8.795 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.354 12.591 -7.637 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.931 10.929 -7.367 1.00 0.00 H new ATOM 1356 N GLY A 85 1.545 9.982 -10.746 1.00 0.00 N ATOM 1357 CA GLY A 85 1.946 8.842 -11.552 1.00 0.00 C ATOM 1358 C GLY A 85 1.222 8.842 -12.900 1.00 0.00 C ATOM 1359 O GLY A 85 0.419 7.952 -13.177 1.00 0.00 O ATOM 0 H GLY A 85 1.889 10.882 -11.080 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.024 8.868 -11.714 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.726 7.918 -11.017 1.00 0.00 H new ATOM 1363 N ARG A 86 1.532 9.850 -13.702 1.00 0.00 N ATOM 1364 CA ARG A 86 0.921 9.977 -15.014 1.00 0.00 C ATOM 1365 C ARG A 86 1.795 10.840 -15.926 1.00 0.00 C ATOM 1366 O ARG A 86 2.276 10.371 -16.957 1.00 0.00 O ATOM 1367 CB ARG A 86 -0.472 10.602 -14.915 1.00 0.00 C ATOM 1368 CG ARG A 86 -1.473 9.854 -15.798 1.00 0.00 C ATOM 1369 CD ARG A 86 -2.532 9.148 -14.948 1.00 0.00 C ATOM 1370 NE ARG A 86 -3.765 8.945 -15.742 1.00 0.00 N ATOM 1371 CZ ARG A 86 -3.936 7.952 -16.625 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -2.954 7.065 -16.833 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -5.088 7.846 -17.300 1.00 0.00 N ATOM 0 H ARG A 86 2.198 10.586 -13.469 1.00 0.00 H new ATOM 0 HA ARG A 86 0.829 8.976 -15.434 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.810 10.583 -13.879 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.427 11.649 -15.216 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.956 10.554 -16.480 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.947 9.123 -16.412 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.151 8.188 -14.601 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.754 9.742 -14.061 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.533 9.603 -15.608 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.077 7.146 -16.319 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.084 6.309 -17.505 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.836 8.522 -17.142 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.218 7.090 -17.972 1.00 0.00 H new ATOM 1387 N ARG A 87 1.976 12.086 -15.513 1.00 0.00 N ATOM 1388 CA ARG A 87 2.785 13.018 -16.280 1.00 0.00 C ATOM 1389 C ARG A 87 4.056 13.377 -15.509 1.00 0.00 C ATOM 1390 O ARG A 87 5.147 12.933 -15.862 1.00 0.00 O ATOM 1391 CB ARG A 87 2.005 14.298 -16.589 1.00 0.00 C ATOM 1392 CG ARG A 87 0.745 13.991 -17.400 1.00 0.00 C ATOM 1393 CD ARG A 87 -0.367 14.993 -17.086 1.00 0.00 C ATOM 1394 NE ARG A 87 -1.412 14.348 -16.260 1.00 0.00 N ATOM 1395 CZ ARG A 87 -2.378 15.016 -15.615 1.00 0.00 C ATOM 1396 NH1 ARG A 87 -2.438 16.352 -15.696 1.00 0.00 N ATOM 1397 NH2 ARG A 87 -3.284 14.347 -14.888 1.00 0.00 N ATOM 0 H ARG A 87 1.576 12.472 -14.657 1.00 0.00 H new ATOM 0 HA ARG A 87 3.051 12.532 -17.219 1.00 0.00 H new ATOM 0 HB2 ARG A 87 1.730 14.794 -15.658 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.639 14.989 -17.144 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.977 14.022 -18.465 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.402 12.980 -17.177 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.046 15.853 -16.558 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.803 15.367 -18.012 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.396 13.332 -16.177 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.748 16.861 -16.249 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.174 16.860 -15.205 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.238 13.330 -14.826 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.020 14.855 -14.397 1.00 0.00 H new ATOM 1411 N GLN A 88 3.873 14.177 -14.468 1.00 0.00 N ATOM 1412 CA GLN A 88 4.992 14.600 -13.644 1.00 0.00 C ATOM 1413 C GLN A 88 4.490 15.384 -12.429 1.00 0.00 C ATOM 1414 O GLN A 88 3.296 15.653 -12.310 1.00 0.00 O ATOM 1415 CB GLN A 88 5.989 15.429 -14.456 1.00 0.00 C ATOM 1416 CG GLN A 88 5.351 16.730 -14.946 1.00 0.00 C ATOM 1417 CD GLN A 88 6.056 17.250 -16.200 1.00 0.00 C ATOM 1418 OE1 GLN A 88 6.917 16.602 -16.773 1.00 0.00 O ATOM 1419 NE2 GLN A 88 5.646 18.452 -16.593 1.00 0.00 N ATOM 0 H GLN A 88 2.967 14.543 -14.177 1.00 0.00 H new ATOM 0 HA GLN A 88 5.513 13.711 -13.289 1.00 0.00 H new ATOM 0 HB2 GLN A 88 6.862 15.656 -13.844 1.00 0.00 H new ATOM 0 HB3 GLN A 88 6.340 14.848 -15.309 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.296 16.563 -15.161 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.401 17.482 -14.159 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.921 18.940 -16.068 1.00 0.00 H new ATOM 0 HE22 GLN A 88 6.057 18.886 -17.420 1.00 0.00 H new ATOM 1428 N LYS A 89 5.427 15.727 -11.558 1.00 0.00 N ATOM 1429 CA LYS A 89 5.095 16.474 -10.357 1.00 0.00 C ATOM 1430 C LYS A 89 6.172 17.530 -10.103 1.00 0.00 C ATOM 1431 O LYS A 89 7.249 17.215 -9.598 1.00 0.00 O ATOM 1432 CB LYS A 89 4.877 15.523 -9.178 1.00 0.00 C ATOM 1433 CG LYS A 89 3.564 15.837 -8.456 1.00 0.00 C ATOM 1434 CD LYS A 89 3.718 17.054 -7.543 1.00 0.00 C ATOM 1435 CE LYS A 89 2.582 18.054 -7.766 1.00 0.00 C ATOM 1436 NZ LYS A 89 1.618 18.002 -6.645 1.00 0.00 N ATOM 0 H LYS A 89 6.416 15.501 -11.660 1.00 0.00 H new ATOM 0 HA LYS A 89 4.152 17.005 -10.488 1.00 0.00 H new ATOM 0 HB2 LYS A 89 4.863 14.493 -9.535 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.710 15.607 -8.479 1.00 0.00 H new ATOM 0 HG2 LYS A 89 2.778 16.024 -9.188 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.253 14.974 -7.868 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.725 16.733 -6.501 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.676 17.538 -7.734 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.989 19.061 -7.857 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.072 17.831 -8.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.854 18.687 -6.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 1.217 17.045 -6.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 2.105 18.237 -5.757 1.00 0.00 H new ATOM 1450 N HIS A 90 5.846 18.762 -10.466 1.00 0.00 N ATOM 1451 CA HIS A 90 6.772 19.866 -10.285 1.00 0.00 C ATOM 1452 C HIS A 90 7.370 19.808 -8.878 1.00 0.00 C ATOM 1453 O HIS A 90 8.584 19.684 -8.720 1.00 0.00 O ATOM 1454 CB HIS A 90 6.090 21.203 -10.584 1.00 0.00 C ATOM 1455 CG HIS A 90 6.852 22.407 -10.085 1.00 0.00 C ATOM 1456 ND1 HIS A 90 7.086 23.523 -10.869 1.00 0.00 N ATOM 1457 CD2 HIS A 90 7.429 22.658 -8.875 1.00 0.00 C ATOM 1458 CE1 HIS A 90 7.775 24.400 -10.152 1.00 0.00 C ATOM 1459 NE2 HIS A 90 7.986 23.861 -8.917 1.00 0.00 N ATOM 0 H HIS A 90 4.952 19.020 -10.885 1.00 0.00 H new ATOM 0 HA HIS A 90 7.593 19.776 -10.996 1.00 0.00 H new ATOM 0 HB2 HIS A 90 5.951 21.295 -11.661 1.00 0.00 H new ATOM 0 HB3 HIS A 90 5.098 21.202 -10.133 1.00 0.00 H new ATOM 0 HD2 HIS A 90 7.432 21.990 -8.026 1.00 0.00 H new ATOM 0 HE1 HIS A 90 8.110 25.370 -10.487 1.00 0.00 H new ATOM 0 HE2 HIS A 90 8.489 24.309 -8.152 1.00 0.00 H new ATOM 1467 N ARG A 91 6.490 19.901 -7.891 1.00 0.00 N ATOM 1468 CA ARG A 91 6.916 19.861 -6.503 1.00 0.00 C ATOM 1469 C ARG A 91 8.156 18.977 -6.353 1.00 0.00 C ATOM 1470 O ARG A 91 9.234 19.465 -6.017 1.00 0.00 O ATOM 1471 CB ARG A 91 5.803 19.324 -5.601 1.00 0.00 C ATOM 1472 CG ARG A 91 4.819 20.433 -5.225 1.00 0.00 C ATOM 1473 CD ARG A 91 4.209 20.180 -3.844 1.00 0.00 C ATOM 1474 NE ARG A 91 3.858 21.467 -3.203 1.00 0.00 N ATOM 1475 CZ ARG A 91 3.085 21.577 -2.114 1.00 0.00 C ATOM 1476 NH1 ARG A 91 2.579 20.478 -1.538 1.00 0.00 N ATOM 1477 NH2 ARG A 91 2.818 22.786 -1.601 1.00 0.00 N ATOM 0 H ARG A 91 5.484 20.004 -8.026 1.00 0.00 H new ATOM 0 HA ARG A 91 7.154 20.881 -6.200 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.273 18.520 -6.111 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.237 18.896 -4.697 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.331 21.395 -5.230 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.027 20.490 -5.972 1.00 0.00 H new ATOM 0 HD2 ARG A 91 3.320 19.557 -3.939 1.00 0.00 H new ATOM 0 HD3 ARG A 91 4.916 19.634 -3.219 1.00 0.00 H new ATOM 0 HE ARG A 91 4.227 22.323 -3.616 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.782 19.558 -1.929 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.991 20.562 -0.709 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.203 23.622 -2.040 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.230 22.870 -0.772 1.00 0.00 H new ATOM 1491 N LEU A 92 7.961 17.692 -6.610 1.00 0.00 N ATOM 1492 CA LEU A 92 9.050 16.735 -6.508 1.00 0.00 C ATOM 1493 C LEU A 92 8.932 15.712 -7.639 1.00 0.00 C ATOM 1494 O LEU A 92 7.893 15.073 -7.796 1.00 0.00 O ATOM 1495 CB LEU A 92 9.084 16.108 -5.112 1.00 0.00 C ATOM 1496 CG LEU A 92 9.009 17.084 -3.937 1.00 0.00 C ATOM 1497 CD1 LEU A 92 7.692 16.924 -3.174 1.00 0.00 C ATOM 1498 CD2 LEU A 92 10.224 16.933 -3.019 1.00 0.00 C ATOM 0 H LEU A 92 7.065 17.291 -6.889 1.00 0.00 H new ATOM 0 HA LEU A 92 10.010 17.236 -6.630 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.253 15.407 -5.030 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.002 15.527 -5.018 1.00 0.00 H new ATOM 0 HG LEU A 92 9.030 18.099 -4.335 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.665 17.630 -2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.856 17.121 -3.845 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.616 15.907 -2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.145 17.639 -2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.260 15.917 -2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.134 17.136 -3.584 1.00 0.00 H new ATOM 1510 N THR A 93 10.011 15.588 -8.397 1.00 0.00 N ATOM 1511 CA THR A 93 10.041 14.653 -9.509 1.00 0.00 C ATOM 1512 C THR A 93 9.538 13.278 -9.064 1.00 0.00 C ATOM 1513 O THR A 93 8.456 12.851 -9.462 1.00 0.00 O ATOM 1514 CB THR A 93 11.466 14.627 -10.067 1.00 0.00 C ATOM 1515 OG1 THR A 93 11.649 15.931 -10.613 1.00 0.00 O ATOM 1516 CG2 THR A 93 11.606 13.695 -11.272 1.00 0.00 C ATOM 0 H THR A 93 10.871 16.119 -8.263 1.00 0.00 H new ATOM 0 HA THR A 93 9.369 14.967 -10.308 1.00 0.00 H new ATOM 0 HB THR A 93 12.157 14.314 -9.284 1.00 0.00 H new ATOM 0 HG1 THR A 93 12.549 16.002 -10.995 1.00 0.00 H new ATOM 0 HG21 THR A 93 12.636 13.714 -11.629 1.00 0.00 H new ATOM 0 HG22 THR A 93 11.342 12.679 -10.979 1.00 0.00 H new ATOM 0 HG23 THR A 93 10.940 14.027 -12.068 1.00 0.00 H new ATOM 1524 N CYS A 94 10.348 12.624 -8.244 1.00 0.00 N ATOM 1525 CA CYS A 94 9.998 11.307 -7.740 1.00 0.00 C ATOM 1526 C CYS A 94 9.957 10.336 -8.922 1.00 0.00 C ATOM 1527 O CYS A 94 9.460 10.679 -9.994 1.00 0.00 O ATOM 1528 CB CYS A 94 8.675 11.328 -6.972 1.00 0.00 C ATOM 1529 SG CYS A 94 7.622 9.851 -7.217 1.00 0.00 S ATOM 0 H CYS A 94 11.245 12.982 -7.916 1.00 0.00 H new ATOM 0 HA CYS A 94 10.751 10.976 -7.025 1.00 0.00 H new ATOM 0 HB2 CYS A 94 8.890 11.431 -5.908 1.00 0.00 H new ATOM 0 HB3 CYS A 94 8.112 12.212 -7.271 1.00 0.00 H new ATOM 1534 N PRO A 95 10.499 9.113 -8.680 1.00 0.00 N ATOM 1535 CA PRO A 95 10.529 8.090 -9.712 1.00 0.00 C ATOM 1536 C PRO A 95 9.143 7.474 -9.914 1.00 0.00 C ATOM 1537 O PRO A 95 8.343 7.420 -8.981 1.00 0.00 O ATOM 1538 CB PRO A 95 11.564 7.083 -9.238 1.00 0.00 C ATOM 1539 CG PRO A 95 11.737 7.333 -7.748 1.00 0.00 C ATOM 1540 CD PRO A 95 11.097 8.673 -7.423 1.00 0.00 C ATOM 0 HA PRO A 95 10.799 8.487 -10.690 1.00 0.00 H new ATOM 0 HB2 PRO A 95 11.231 6.062 -9.427 1.00 0.00 H new ATOM 0 HB3 PRO A 95 12.507 7.214 -9.768 1.00 0.00 H new ATOM 0 HG2 PRO A 95 11.269 6.536 -7.170 1.00 0.00 H new ATOM 0 HG3 PRO A 95 12.794 7.340 -7.482 1.00 0.00 H new ATOM 0 HD2 PRO A 95 10.345 8.573 -6.640 1.00 0.00 H new ATOM 0 HD3 PRO A 95 11.837 9.389 -7.065 1.00 0.00 H new ATOM 1548 N SER A 96 8.903 7.025 -11.137 1.00 0.00 N ATOM 1549 CA SER A 96 7.628 6.415 -11.472 1.00 0.00 C ATOM 1550 C SER A 96 7.770 4.892 -11.509 1.00 0.00 C ATOM 1551 O SER A 96 8.821 4.355 -11.165 1.00 0.00 O ATOM 1552 CB SER A 96 7.106 6.932 -12.814 1.00 0.00 C ATOM 1553 OG SER A 96 6.170 7.994 -12.650 1.00 0.00 O ATOM 0 H SER A 96 9.570 7.071 -11.908 1.00 0.00 H new ATOM 0 HA SER A 96 6.906 6.688 -10.702 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.944 7.277 -13.420 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.634 6.114 -13.359 1.00 0.00 H new ATOM 0 HG SER A 96 5.862 8.297 -13.530 1.00 0.00 H new ATOM 1559 N CYS A 97 6.697 4.239 -11.931 1.00 0.00 N ATOM 1560 CA CYS A 97 6.689 2.789 -12.017 1.00 0.00 C ATOM 1561 C CYS A 97 7.015 2.392 -13.459 1.00 0.00 C ATOM 1562 O CYS A 97 6.113 2.142 -14.257 1.00 0.00 O ATOM 1563 CB CYS A 97 5.355 2.201 -11.552 1.00 0.00 C ATOM 1564 SG CYS A 97 4.809 2.756 -9.895 1.00 0.00 S ATOM 0 H CYS A 97 5.827 4.688 -12.217 1.00 0.00 H new ATOM 0 HA CYS A 97 7.445 2.379 -11.347 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.586 2.462 -12.279 1.00 0.00 H new ATOM 0 HB3 CYS A 97 5.435 1.114 -11.548 1.00 0.00 H new ATOM 1569 N ASP A 98 8.307 2.346 -13.748 1.00 0.00 N ATOM 1570 CA ASP A 98 8.764 1.983 -15.079 1.00 0.00 C ATOM 1571 C ASP A 98 10.068 1.191 -14.968 1.00 0.00 C ATOM 1572 O ASP A 98 10.169 0.080 -15.486 1.00 0.00 O ATOM 1573 CB ASP A 98 9.038 3.228 -15.925 1.00 0.00 C ATOM 1574 CG ASP A 98 9.395 2.951 -17.387 1.00 0.00 C ATOM 1575 OD1 ASP A 98 8.581 2.276 -18.052 1.00 0.00 O ATOM 1576 OD2 ASP A 98 10.476 3.420 -17.805 1.00 0.00 O ATOM 0 H ASP A 98 9.052 2.554 -13.083 1.00 0.00 H new ATOM 0 HA ASP A 98 7.983 1.389 -15.553 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.157 3.869 -15.897 1.00 0.00 H new ATOM 0 HB3 ASP A 98 9.854 3.788 -15.467 1.00 0.00 H new ATOM 1581 N SER A 99 11.033 1.793 -14.289 1.00 0.00 N ATOM 1582 CA SER A 99 12.326 1.157 -14.104 1.00 0.00 C ATOM 1583 C SER A 99 12.152 -0.182 -13.385 1.00 0.00 C ATOM 1584 O SER A 99 12.582 -1.220 -13.887 1.00 0.00 O ATOM 1585 CB SER A 99 13.277 2.062 -13.318 1.00 0.00 C ATOM 1586 OG SER A 99 14.561 1.467 -13.147 1.00 0.00 O ATOM 0 H SER A 99 10.945 2.714 -13.860 1.00 0.00 H new ATOM 0 HA SER A 99 12.764 0.980 -15.086 1.00 0.00 H new ATOM 0 HB2 SER A 99 13.385 3.014 -13.838 1.00 0.00 H new ATOM 0 HB3 SER A 99 12.845 2.280 -12.341 1.00 0.00 H new ATOM 0 HG SER A 99 15.139 2.076 -12.642 1.00 0.00 H new ATOM 1592 N TYR A 100 11.522 -0.116 -12.221 1.00 0.00 N ATOM 1593 CA TYR A 100 11.287 -1.311 -11.429 1.00 0.00 C ATOM 1594 C TYR A 100 10.883 -2.488 -12.318 1.00 0.00 C ATOM 1595 O TYR A 100 11.332 -3.613 -12.107 1.00 0.00 O ATOM 1596 CB TYR A 100 10.125 -0.973 -10.492 1.00 0.00 C ATOM 1597 CG TYR A 100 10.297 0.348 -9.739 1.00 0.00 C ATOM 1598 CD1 TYR A 100 11.490 0.631 -9.105 1.00 0.00 C ATOM 1599 CD2 TYR A 100 9.259 1.257 -9.694 1.00 0.00 C ATOM 1600 CE1 TYR A 100 11.651 1.874 -8.396 1.00 0.00 C ATOM 1601 CE2 TYR A 100 9.421 2.500 -8.985 1.00 0.00 C ATOM 1602 CZ TYR A 100 10.609 2.747 -8.371 1.00 0.00 C ATOM 1603 OH TYR A 100 10.762 3.921 -7.702 1.00 0.00 O ATOM 0 H TYR A 100 11.167 0.746 -11.808 1.00 0.00 H new ATOM 0 HA TYR A 100 12.190 -1.598 -10.890 1.00 0.00 H new ATOM 0 HB2 TYR A 100 9.204 -0.931 -11.073 1.00 0.00 H new ATOM 0 HB3 TYR A 100 10.009 -1.780 -9.768 1.00 0.00 H new ATOM 0 HD1 TYR A 100 12.302 -0.080 -9.141 1.00 0.00 H new ATOM 0 HD2 TYR A 100 8.326 1.036 -10.190 1.00 0.00 H new ATOM 0 HE1 TYR A 100 12.579 2.108 -7.895 1.00 0.00 H new ATOM 0 HE2 TYR A 100 8.617 3.220 -8.942 1.00 0.00 H new ATOM 0 HH TYR A 100 11.172 3.749 -6.829 1.00 0.00 H new ATOM 1613 N GLU A 101 10.039 -2.188 -13.295 1.00 0.00 N ATOM 1614 CA GLU A 101 9.569 -3.208 -14.217 1.00 0.00 C ATOM 1615 C GLU A 101 8.727 -4.248 -13.475 1.00 0.00 C ATOM 1616 O GLU A 101 9.201 -5.347 -13.192 1.00 0.00 O ATOM 1617 CB GLU A 101 10.741 -3.870 -14.946 1.00 0.00 C ATOM 1618 CG GLU A 101 10.268 -5.072 -15.765 1.00 0.00 C ATOM 1619 CD GLU A 101 11.303 -5.455 -16.825 1.00 0.00 C ATOM 1620 OE1 GLU A 101 12.506 -5.408 -16.487 1.00 0.00 O ATOM 1621 OE2 GLU A 101 10.869 -5.784 -17.950 1.00 0.00 O ATOM 0 H GLU A 101 9.669 -1.253 -13.468 1.00 0.00 H new ATOM 0 HA GLU A 101 8.940 -2.729 -14.968 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.222 -3.145 -15.602 1.00 0.00 H new ATOM 0 HB3 GLU A 101 11.490 -4.191 -14.222 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.089 -5.920 -15.103 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.319 -4.838 -16.247 1.00 0.00 H new ATOM 1628 N LYS A 102 7.494 -3.864 -13.182 1.00 0.00 N ATOM 1629 CA LYS A 102 6.581 -4.749 -12.479 1.00 0.00 C ATOM 1630 C LYS A 102 7.330 -5.449 -11.344 1.00 0.00 C ATOM 1631 O LYS A 102 8.421 -5.027 -10.962 1.00 0.00 O ATOM 1632 CB LYS A 102 5.909 -5.713 -13.458 1.00 0.00 C ATOM 1633 CG LYS A 102 4.440 -5.340 -13.674 1.00 0.00 C ATOM 1634 CD LYS A 102 4.311 -4.152 -14.629 1.00 0.00 C ATOM 1635 CE LYS A 102 4.133 -2.844 -13.855 1.00 0.00 C ATOM 1636 NZ LYS A 102 3.065 -2.022 -14.467 1.00 0.00 N ATOM 0 H LYS A 102 7.105 -2.951 -13.419 1.00 0.00 H new ATOM 0 HA LYS A 102 5.772 -4.178 -12.024 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.437 -5.695 -14.412 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.977 -6.731 -13.076 1.00 0.00 H new ATOM 0 HG2 LYS A 102 3.899 -6.196 -14.078 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.979 -5.094 -12.717 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.199 -4.089 -15.258 1.00 0.00 H new ATOM 0 HD3 LYS A 102 3.460 -4.305 -15.293 1.00 0.00 H new ATOM 0 HE2 LYS A 102 3.884 -3.060 -12.816 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.070 -2.288 -13.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 3.278 -1.014 -14.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 3.012 -2.224 -15.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 2.153 -2.249 -14.021 1.00 0.00 H new ATOM 1650 N LYS A 103 6.715 -6.507 -10.835 1.00 0.00 N ATOM 1651 CA LYS A 103 7.311 -7.269 -9.751 1.00 0.00 C ATOM 1652 C LYS A 103 6.296 -8.292 -9.235 1.00 0.00 C ATOM 1653 O LYS A 103 5.135 -8.278 -9.641 1.00 0.00 O ATOM 1654 CB LYS A 103 7.844 -6.331 -8.666 1.00 0.00 C ATOM 1655 CG LYS A 103 9.373 -6.358 -8.620 1.00 0.00 C ATOM 1656 CD LYS A 103 9.911 -5.315 -7.639 1.00 0.00 C ATOM 1657 CE LYS A 103 10.779 -5.970 -6.563 1.00 0.00 C ATOM 1658 NZ LYS A 103 12.031 -5.204 -6.370 1.00 0.00 N ATOM 0 H LYS A 103 5.810 -6.854 -11.153 1.00 0.00 H new ATOM 0 HA LYS A 103 8.175 -7.828 -10.109 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.500 -5.315 -8.858 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.442 -6.625 -7.696 1.00 0.00 H new ATOM 0 HG2 LYS A 103 9.714 -7.350 -8.324 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.774 -6.167 -9.615 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.496 -4.570 -8.179 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.080 -4.789 -7.170 1.00 0.00 H new ATOM 0 HE2 LYS A 103 10.228 -6.020 -5.624 1.00 0.00 H new ATOM 0 HE3 LYS A 103 11.013 -6.995 -6.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 12.609 -5.662 -5.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 12.563 -5.178 -7.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 11.802 -4.233 -6.075 1.00 0.00 H new ATOM 1672 N PRO A 104 6.784 -9.178 -8.326 1.00 0.00 N ATOM 1673 CA PRO A 104 5.933 -10.206 -7.751 1.00 0.00 C ATOM 1674 C PRO A 104 4.981 -9.611 -6.712 1.00 0.00 C ATOM 1675 O PRO A 104 5.069 -8.427 -6.389 1.00 0.00 O ATOM 1676 CB PRO A 104 6.893 -11.227 -7.162 1.00 0.00 C ATOM 1677 CG PRO A 104 8.226 -10.511 -7.017 1.00 0.00 C ATOM 1678 CD PRO A 104 8.154 -9.224 -7.823 1.00 0.00 C ATOM 0 HA PRO A 104 5.280 -10.673 -8.488 1.00 0.00 H new ATOM 0 HB2 PRO A 104 6.536 -11.587 -6.197 1.00 0.00 H new ATOM 0 HB3 PRO A 104 6.986 -12.097 -7.813 1.00 0.00 H new ATOM 0 HG2 PRO A 104 8.431 -10.294 -5.969 1.00 0.00 H new ATOM 0 HG3 PRO A 104 9.039 -11.142 -7.377 1.00 0.00 H new ATOM 0 HD2 PRO A 104 8.378 -8.356 -7.203 1.00 0.00 H new ATOM 0 HD3 PRO A 104 8.876 -9.227 -8.640 1.00 0.00 H new ATOM 1686 N PRO A 105 4.068 -10.482 -6.204 1.00 0.00 N ATOM 1687 CA PRO A 105 3.100 -10.055 -5.208 1.00 0.00 C ATOM 1688 C PRO A 105 3.760 -9.892 -3.837 1.00 0.00 C ATOM 1689 O PRO A 105 3.666 -8.832 -3.221 1.00 0.00 O ATOM 1690 CB PRO A 105 2.021 -11.126 -5.225 1.00 0.00 C ATOM 1691 CG PRO A 105 2.649 -12.341 -5.888 1.00 0.00 C ATOM 1692 CD PRO A 105 3.934 -11.891 -6.563 1.00 0.00 C ATOM 0 HA PRO A 105 2.674 -9.076 -5.427 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.688 -11.361 -4.214 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.145 -10.789 -5.778 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.857 -13.115 -5.149 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.965 -12.773 -6.618 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.788 -12.471 -6.215 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.880 -12.021 -7.644 1.00 0.00 H new ATOM 1700 N LYS A 106 4.412 -10.960 -3.399 1.00 0.00 N ATOM 1701 CA LYS A 106 5.086 -10.948 -2.112 1.00 0.00 C ATOM 1702 C LYS A 106 5.785 -9.601 -1.920 1.00 0.00 C ATOM 1703 O LYS A 106 5.749 -9.029 -0.831 1.00 0.00 O ATOM 1704 CB LYS A 106 6.024 -12.151 -1.988 1.00 0.00 C ATOM 1705 CG LYS A 106 6.652 -12.498 -3.340 1.00 0.00 C ATOM 1706 CD LYS A 106 8.118 -12.906 -3.175 1.00 0.00 C ATOM 1707 CE LYS A 106 8.329 -14.365 -3.583 1.00 0.00 C ATOM 1708 NZ LYS A 106 9.517 -14.927 -2.901 1.00 0.00 N ATOM 0 H LYS A 106 4.487 -11.838 -3.912 1.00 0.00 H new ATOM 0 HA LYS A 106 4.364 -11.051 -1.302 1.00 0.00 H new ATOM 0 HB2 LYS A 106 6.809 -11.932 -1.264 1.00 0.00 H new ATOM 0 HB3 LYS A 106 5.471 -13.010 -1.608 1.00 0.00 H new ATOM 0 HG2 LYS A 106 6.095 -13.311 -3.806 1.00 0.00 H new ATOM 0 HG3 LYS A 106 6.583 -11.640 -4.008 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.750 -12.259 -3.783 1.00 0.00 H new ATOM 0 HD3 LYS A 106 8.424 -12.767 -2.138 1.00 0.00 H new ATOM 0 HE2 LYS A 106 7.446 -14.951 -3.330 1.00 0.00 H new ATOM 0 HE3 LYS A 106 8.457 -14.432 -4.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 9.646 -15.918 -3.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 10.360 -14.378 -3.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 9.380 -14.881 -1.871 1.00 0.00 H new ATOM 1722 N GLU A 107 6.406 -9.133 -2.993 1.00 0.00 N ATOM 1723 CA GLU A 107 7.112 -7.864 -2.955 1.00 0.00 C ATOM 1724 C GLU A 107 6.118 -6.702 -3.002 1.00 0.00 C ATOM 1725 O GLU A 107 6.103 -5.857 -2.108 1.00 0.00 O ATOM 1726 CB GLU A 107 8.124 -7.766 -4.099 1.00 0.00 C ATOM 1727 CG GLU A 107 9.556 -7.735 -3.562 1.00 0.00 C ATOM 1728 CD GLU A 107 10.423 -8.792 -4.250 1.00 0.00 C ATOM 1729 OE1 GLU A 107 10.230 -9.983 -3.924 1.00 0.00 O ATOM 1730 OE2 GLU A 107 11.258 -8.385 -5.086 1.00 0.00 O ATOM 0 H GLU A 107 6.435 -9.610 -3.894 1.00 0.00 H new ATOM 0 HA GLU A 107 7.665 -7.806 -2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.002 -8.615 -4.771 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.931 -6.867 -4.684 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.987 -6.746 -3.721 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.549 -7.910 -2.486 1.00 0.00 H new ATOM 1737 N PHE A 108 5.311 -6.697 -4.053 1.00 0.00 N ATOM 1738 CA PHE A 108 4.316 -5.652 -4.227 1.00 0.00 C ATOM 1739 C PHE A 108 3.586 -5.365 -2.914 1.00 0.00 C ATOM 1740 O PHE A 108 3.229 -4.222 -2.635 1.00 0.00 O ATOM 1741 CB PHE A 108 3.307 -6.164 -5.257 1.00 0.00 C ATOM 1742 CG PHE A 108 1.900 -5.585 -5.089 1.00 0.00 C ATOM 1743 CD1 PHE A 108 1.731 -4.246 -4.919 1.00 0.00 C ATOM 1744 CD2 PHE A 108 0.819 -6.410 -5.111 1.00 0.00 C ATOM 1745 CE1 PHE A 108 0.426 -3.709 -4.764 1.00 0.00 C ATOM 1746 CE2 PHE A 108 -0.487 -5.873 -4.956 1.00 0.00 C ATOM 1747 CZ PHE A 108 -0.655 -4.534 -4.785 1.00 0.00 C ATOM 0 H PHE A 108 5.326 -7.400 -4.792 1.00 0.00 H new ATOM 0 HA PHE A 108 4.798 -4.730 -4.552 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.670 -5.925 -6.257 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.253 -7.250 -5.189 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.590 -3.591 -4.902 1.00 0.00 H new ATOM 0 HD2 PHE A 108 0.953 -7.473 -5.246 1.00 0.00 H new ATOM 0 HE1 PHE A 108 0.292 -2.646 -4.629 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.346 -6.527 -4.974 1.00 0.00 H new ATOM 0 HZ PHE A 108 -1.648 -4.126 -4.666 1.00 0.00 H new ATOM 1757 N LEU A 109 3.387 -6.423 -2.141 1.00 0.00 N ATOM 1758 CA LEU A 109 2.706 -6.299 -0.863 1.00 0.00 C ATOM 1759 C LEU A 109 3.701 -5.819 0.195 1.00 0.00 C ATOM 1760 O LEU A 109 3.389 -4.933 0.989 1.00 0.00 O ATOM 1761 CB LEU A 109 2.006 -7.610 -0.500 1.00 0.00 C ATOM 1762 CG LEU A 109 0.619 -7.821 -1.110 1.00 0.00 C ATOM 1763 CD1 LEU A 109 -0.253 -6.577 -0.932 1.00 0.00 C ATOM 1764 CD2 LEU A 109 0.723 -8.243 -2.577 1.00 0.00 C ATOM 0 H LEU A 109 3.685 -7.370 -2.375 1.00 0.00 H new ATOM 0 HA LEU A 109 1.917 -5.549 -0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.646 -8.437 -0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.916 -7.662 0.585 1.00 0.00 H new ATOM 0 HG LEU A 109 0.131 -8.636 -0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.233 -6.754 -1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.368 -6.362 0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.220 -5.728 -1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.277 -8.386 -2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.239 -7.467 -3.143 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.281 -9.176 -2.648 1.00 0.00 H new ATOM 1776 N GLU A 110 4.879 -6.425 0.172 1.00 0.00 N ATOM 1777 CA GLU A 110 5.922 -6.071 1.120 1.00 0.00 C ATOM 1778 C GLU A 110 6.245 -4.579 1.021 1.00 0.00 C ATOM 1779 O GLU A 110 6.690 -3.971 1.993 1.00 0.00 O ATOM 1780 CB GLU A 110 7.176 -6.919 0.898 1.00 0.00 C ATOM 1781 CG GLU A 110 7.395 -7.889 2.062 1.00 0.00 C ATOM 1782 CD GLU A 110 8.224 -9.096 1.620 1.00 0.00 C ATOM 1783 OE1 GLU A 110 7.833 -9.713 0.605 1.00 0.00 O ATOM 1784 OE2 GLU A 110 9.230 -9.376 2.308 1.00 0.00 O ATOM 0 H GLU A 110 5.134 -7.159 -0.488 1.00 0.00 H new ATOM 0 HA GLU A 110 5.557 -6.278 2.126 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.081 -7.478 -0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 110 8.045 -6.269 0.793 1.00 0.00 H new ATOM 0 HG2 GLU A 110 7.902 -7.375 2.879 1.00 0.00 H new ATOM 0 HG3 GLU A 110 6.432 -8.225 2.446 1.00 0.00 H new ATOM 1791 N ARG A 111 6.007 -4.032 -0.162 1.00 0.00 N ATOM 1792 CA ARG A 111 6.267 -2.623 -0.401 1.00 0.00 C ATOM 1793 C ARG A 111 5.049 -1.784 -0.010 1.00 0.00 C ATOM 1794 O ARG A 111 5.180 -0.775 0.680 1.00 0.00 O ATOM 1795 CB ARG A 111 6.604 -2.366 -1.871 1.00 0.00 C ATOM 1796 CG ARG A 111 8.118 -2.343 -2.091 1.00 0.00 C ATOM 1797 CD ARG A 111 8.715 -3.744 -1.943 1.00 0.00 C ATOM 1798 NE ARG A 111 9.198 -3.944 -0.558 1.00 0.00 N ATOM 1799 CZ ARG A 111 10.384 -3.514 -0.107 1.00 0.00 C ATOM 1800 NH1 ARG A 111 11.215 -2.858 -0.928 1.00 0.00 N ATOM 1801 NH2 ARG A 111 10.739 -3.741 1.165 1.00 0.00 N ATOM 0 H ARG A 111 5.637 -4.540 -0.966 1.00 0.00 H new ATOM 0 HA ARG A 111 7.122 -2.336 0.211 1.00 0.00 H new ATOM 0 HB2 ARG A 111 6.155 -3.141 -2.492 1.00 0.00 H new ATOM 0 HB3 ARG A 111 6.173 -1.416 -2.186 1.00 0.00 H new ATOM 0 HG2 ARG A 111 8.339 -1.953 -3.085 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.583 -1.668 -1.373 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.965 -4.496 -2.188 1.00 0.00 H new ATOM 0 HD3 ARG A 111 9.538 -3.874 -2.646 1.00 0.00 H new ATOM 0 HE ARG A 111 8.590 -4.440 0.094 1.00 0.00 H new ATOM 0 HH11 ARG A 111 10.945 -2.686 -1.896 1.00 0.00 H new ATOM 0 HH12 ARG A 111 12.118 -2.531 -0.585 1.00 0.00 H new ATOM 0 HH21 ARG A 111 10.106 -4.241 1.790 1.00 0.00 H new ATOM 0 HH22 ARG A 111 11.642 -3.414 1.509 1.00 0.00 H new ATOM 1815 N PHE A 112 3.890 -2.234 -0.469 1.00 0.00 N ATOM 1816 CA PHE A 112 2.648 -1.538 -0.176 1.00 0.00 C ATOM 1817 C PHE A 112 2.507 -1.277 1.325 1.00 0.00 C ATOM 1818 O PHE A 112 2.471 -0.127 1.759 1.00 0.00 O ATOM 1819 CB PHE A 112 1.506 -2.447 -0.634 1.00 0.00 C ATOM 1820 CG PHE A 112 0.190 -1.712 -0.894 1.00 0.00 C ATOM 1821 CD1 PHE A 112 -0.043 -0.508 -0.305 1.00 0.00 C ATOM 1822 CD2 PHE A 112 -0.746 -2.261 -1.713 1.00 0.00 C ATOM 1823 CE1 PHE A 112 -1.265 0.175 -0.547 1.00 0.00 C ATOM 1824 CE2 PHE A 112 -1.967 -1.578 -1.954 1.00 0.00 C ATOM 1825 CZ PHE A 112 -2.201 -0.375 -1.366 1.00 0.00 C ATOM 0 H PHE A 112 3.785 -3.072 -1.041 1.00 0.00 H new ATOM 0 HA PHE A 112 2.631 -0.576 -0.688 1.00 0.00 H new ATOM 0 HB2 PHE A 112 1.809 -2.962 -1.546 1.00 0.00 H new ATOM 0 HB3 PHE A 112 1.339 -3.213 0.124 1.00 0.00 H new ATOM 0 HD1 PHE A 112 0.700 -0.072 0.346 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.561 -3.217 -2.180 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -1.451 1.131 -0.080 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -2.710 -2.014 -2.605 1.00 0.00 H new ATOM 0 HZ PHE A 112 -3.130 0.144 -1.549 1.00 0.00 H new ATOM 1835 N LYS A 113 2.430 -2.365 2.077 1.00 0.00 N ATOM 1836 CA LYS A 113 2.293 -2.269 3.521 1.00 0.00 C ATOM 1837 C LYS A 113 3.310 -1.261 4.059 1.00 0.00 C ATOM 1838 O LYS A 113 2.966 -0.398 4.865 1.00 0.00 O ATOM 1839 CB LYS A 113 2.401 -3.654 4.162 1.00 0.00 C ATOM 1840 CG LYS A 113 2.622 -3.543 5.672 1.00 0.00 C ATOM 1841 CD LYS A 113 4.043 -3.967 6.051 1.00 0.00 C ATOM 1842 CE LYS A 113 4.034 -5.288 6.821 1.00 0.00 C ATOM 1843 NZ LYS A 113 4.583 -5.099 8.182 1.00 0.00 N ATOM 0 H LYS A 113 2.460 -3.318 1.714 1.00 0.00 H new ATOM 0 HA LYS A 113 1.304 -1.897 3.787 1.00 0.00 H new ATOM 0 HB2 LYS A 113 1.492 -4.222 3.965 1.00 0.00 H new ATOM 0 HB3 LYS A 113 3.226 -4.205 3.710 1.00 0.00 H new ATOM 0 HG2 LYS A 113 2.447 -2.517 5.994 1.00 0.00 H new ATOM 0 HG3 LYS A 113 1.900 -4.169 6.196 1.00 0.00 H new ATOM 0 HD2 LYS A 113 4.648 -4.071 5.150 1.00 0.00 H new ATOM 0 HD3 LYS A 113 4.508 -3.191 6.659 1.00 0.00 H new ATOM 0 HE2 LYS A 113 3.016 -5.672 6.883 1.00 0.00 H new ATOM 0 HE3 LYS A 113 4.623 -6.032 6.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 4.569 -6.006 8.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 5.562 -4.753 8.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 4.004 -4.405 8.696 1.00 0.00 H new ATOM 1857 N SER A 114 4.541 -1.404 3.591 1.00 0.00 N ATOM 1858 CA SER A 114 5.610 -0.516 4.016 1.00 0.00 C ATOM 1859 C SER A 114 5.275 0.927 3.633 1.00 0.00 C ATOM 1860 O SER A 114 5.129 1.785 4.502 1.00 0.00 O ATOM 1861 CB SER A 114 6.948 -0.931 3.400 1.00 0.00 C ATOM 1862 OG SER A 114 7.506 -2.069 4.052 1.00 0.00 O ATOM 0 H SER A 114 4.822 -2.121 2.922 1.00 0.00 H new ATOM 0 HA SER A 114 5.702 -0.586 5.100 1.00 0.00 H new ATOM 0 HB2 SER A 114 6.807 -1.152 2.342 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.649 -0.098 3.461 1.00 0.00 H new ATOM 0 HG SER A 114 7.342 -2.869 3.511 1.00 0.00 H new ATOM 1868 N LEU A 115 5.164 1.150 2.332 1.00 0.00 N ATOM 1869 CA LEU A 115 4.849 2.474 1.824 1.00 0.00 C ATOM 1870 C LEU A 115 3.844 3.149 2.760 1.00 0.00 C ATOM 1871 O LEU A 115 3.903 4.360 2.971 1.00 0.00 O ATOM 1872 CB LEU A 115 4.376 2.392 0.371 1.00 0.00 C ATOM 1873 CG LEU A 115 4.060 3.727 -0.308 1.00 0.00 C ATOM 1874 CD1 LEU A 115 4.101 3.590 -1.831 1.00 0.00 C ATOM 1875 CD2 LEU A 115 2.724 4.288 0.182 1.00 0.00 C ATOM 0 H LEU A 115 5.287 0.436 1.614 1.00 0.00 H new ATOM 0 HA LEU A 115 5.742 3.099 1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.144 1.883 -0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 115 3.483 1.768 0.335 1.00 0.00 H new ATOM 0 HG LEU A 115 4.832 4.444 -0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 115 3.873 4.552 -2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 115 5.095 3.267 -2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.364 2.853 -2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.523 5.237 -0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.926 3.582 -0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 115 2.769 4.446 1.260 1.00 0.00 H new ATOM 1887 N LEU A 116 2.946 2.337 3.297 1.00 0.00 N ATOM 1888 CA LEU A 116 1.930 2.841 4.206 1.00 0.00 C ATOM 1889 C LEU A 116 2.589 3.248 5.525 1.00 0.00 C ATOM 1890 O LEU A 116 2.559 4.418 5.903 1.00 0.00 O ATOM 1891 CB LEU A 116 0.804 1.818 4.370 1.00 0.00 C ATOM 1892 CG LEU A 116 0.091 1.392 3.085 1.00 0.00 C ATOM 1893 CD1 LEU A 116 -0.337 -0.075 3.156 1.00 0.00 C ATOM 1894 CD2 LEU A 116 -1.087 2.319 2.779 1.00 0.00 C ATOM 0 H LEU A 116 2.900 1.333 3.120 1.00 0.00 H new ATOM 0 HA LEU A 116 1.460 3.735 3.796 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.216 0.928 4.846 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.062 2.231 5.054 1.00 0.00 H new ATOM 0 HG LEU A 116 0.795 1.482 2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.841 -0.352 2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.542 -0.704 3.293 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -1.017 -0.215 3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.577 1.994 1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.800 2.285 3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.724 3.339 2.656 1.00 0.00 H new ATOM 1906 N GLN A 117 3.168 2.259 6.190 1.00 0.00 N ATOM 1907 CA GLN A 117 3.834 2.500 7.459 1.00 0.00 C ATOM 1908 C GLN A 117 5.071 3.375 7.252 1.00 0.00 C ATOM 1909 O GLN A 117 5.733 3.759 8.216 1.00 0.00 O ATOM 1910 CB GLN A 117 4.202 1.182 8.144 1.00 0.00 C ATOM 1911 CG GLN A 117 5.018 0.288 7.208 1.00 0.00 C ATOM 1912 CD GLN A 117 5.869 -0.705 8.003 1.00 0.00 C ATOM 1913 OE1 GLN A 117 5.528 -1.116 9.099 1.00 0.00 O ATOM 1914 NE2 GLN A 117 6.993 -1.065 7.390 1.00 0.00 N ATOM 0 H GLN A 117 3.190 1.289 5.874 1.00 0.00 H new ATOM 0 HA GLN A 117 3.144 3.031 8.114 1.00 0.00 H new ATOM 0 HB2 GLN A 117 4.774 1.386 9.049 1.00 0.00 H new ATOM 0 HB3 GLN A 117 3.295 0.662 8.451 1.00 0.00 H new ATOM 0 HG2 GLN A 117 4.348 -0.254 6.541 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.662 0.904 6.581 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.218 -0.682 6.472 1.00 0.00 H new ATOM 0 HE22 GLN A 117 7.630 -1.724 7.838 1.00 0.00 H new ATOM 1923 N LYS A 118 5.347 3.666 5.989 1.00 0.00 N ATOM 1924 CA LYS A 118 6.494 4.488 5.643 1.00 0.00 C ATOM 1925 C LYS A 118 6.080 5.961 5.650 1.00 0.00 C ATOM 1926 O LYS A 118 6.449 6.710 6.553 1.00 0.00 O ATOM 1927 CB LYS A 118 7.104 4.027 4.319 1.00 0.00 C ATOM 1928 CG LYS A 118 8.540 4.535 4.170 1.00 0.00 C ATOM 1929 CD LYS A 118 9.355 3.618 3.256 1.00 0.00 C ATOM 1930 CE LYS A 118 10.048 4.418 2.152 1.00 0.00 C ATOM 1931 NZ LYS A 118 11.394 4.848 2.591 1.00 0.00 N ATOM 0 H LYS A 118 4.796 3.347 5.192 1.00 0.00 H new ATOM 0 HA LYS A 118 7.283 4.374 6.387 1.00 0.00 H new ATOM 0 HB2 LYS A 118 7.093 2.938 4.269 1.00 0.00 H new ATOM 0 HB3 LYS A 118 6.498 4.391 3.489 1.00 0.00 H new ATOM 0 HG2 LYS A 118 8.531 5.546 3.762 1.00 0.00 H new ATOM 0 HG3 LYS A 118 9.013 4.591 5.150 1.00 0.00 H new ATOM 0 HD2 LYS A 118 10.100 3.082 3.844 1.00 0.00 H new ATOM 0 HD3 LYS A 118 8.701 2.868 2.811 1.00 0.00 H new ATOM 0 HE2 LYS A 118 10.130 3.810 1.251 1.00 0.00 H new ATOM 0 HE3 LYS A 118 9.447 5.290 1.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 11.851 5.390 1.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 11.309 5.445 3.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 11.970 4.011 2.814 1.00 0.00 H new ATOM 1945 N MET A 119 5.318 6.333 4.631 1.00 0.00 N ATOM 1946 CA MET A 119 4.850 7.703 4.508 1.00 0.00 C ATOM 1947 C MET A 119 3.530 7.901 5.257 1.00 0.00 C ATOM 1948 O MET A 119 3.476 8.635 6.242 1.00 0.00 O ATOM 1949 CB MET A 119 4.655 8.045 3.030 1.00 0.00 C ATOM 1950 CG MET A 119 5.423 9.313 2.654 1.00 0.00 C ATOM 1951 SD MET A 119 4.735 10.720 3.511 1.00 0.00 S ATOM 1952 CE MET A 119 6.224 11.419 4.205 1.00 0.00 C ATOM 0 H MET A 119 5.013 5.709 3.884 1.00 0.00 H new ATOM 0 HA MET A 119 5.598 8.363 4.947 1.00 0.00 H new ATOM 0 HB2 MET A 119 4.995 7.213 2.413 1.00 0.00 H new ATOM 0 HB3 MET A 119 3.594 8.183 2.822 1.00 0.00 H new ATOM 0 HG2 MET A 119 6.476 9.200 2.911 1.00 0.00 H new ATOM 0 HG3 MET A 119 5.373 9.473 1.577 1.00 0.00 H new ATOM 0 HE1 MET A 119 5.984 11.940 5.132 1.00 0.00 H new ATOM 0 HE2 MET A 119 6.938 10.622 4.412 1.00 0.00 H new ATOM 0 HE3 MET A 119 6.661 12.122 3.496 1.00 0.00 H new ATOM 1962 N ILE A 120 2.499 7.233 4.760 1.00 0.00 N ATOM 1963 CA ILE A 120 1.184 7.326 5.370 1.00 0.00 C ATOM 1964 C ILE A 120 1.338 7.467 6.886 1.00 0.00 C ATOM 1965 O ILE A 120 0.850 8.430 7.476 1.00 0.00 O ATOM 1966 CB ILE A 120 0.313 6.141 4.948 1.00 0.00 C ATOM 1967 CG1 ILE A 120 -0.308 6.381 3.570 1.00 0.00 C ATOM 1968 CG2 ILE A 120 -0.746 5.834 6.008 1.00 0.00 C ATOM 1969 CD1 ILE A 120 0.718 6.970 2.601 1.00 0.00 C ATOM 0 H ILE A 120 2.548 6.625 3.942 1.00 0.00 H new ATOM 0 HA ILE A 120 0.663 8.216 5.018 1.00 0.00 H new ATOM 0 HB ILE A 120 0.950 5.261 4.866 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -0.692 5.442 3.172 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -1.157 7.059 3.663 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -1.351 4.988 5.683 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -0.257 5.590 6.951 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -1.386 6.706 6.146 1.00 0.00 H new ATOM 0 HD11 ILE A 120 0.251 7.131 1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.082 7.921 2.990 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.554 6.279 2.492 1.00 0.00 H new ATOM 1981 N HIS A 121 2.018 6.493 7.473 1.00 0.00 N ATOM 1982 CA HIS A 121 2.242 6.496 8.908 1.00 0.00 C ATOM 1983 C HIS A 121 2.598 7.911 9.368 1.00 0.00 C ATOM 1984 O HIS A 121 1.982 8.441 10.292 1.00 0.00 O ATOM 1985 CB HIS A 121 3.302 5.463 9.295 1.00 0.00 C ATOM 1986 CG HIS A 121 2.936 4.630 10.501 1.00 0.00 C ATOM 1987 ND1 HIS A 121 3.118 5.072 11.800 1.00 0.00 N ATOM 1988 CD2 HIS A 121 2.397 3.381 10.591 1.00 0.00 C ATOM 1989 CE1 HIS A 121 2.704 4.122 12.626 1.00 0.00 C ATOM 1990 NE2 HIS A 121 2.259 3.075 11.875 1.00 0.00 N ATOM 0 H HIS A 121 2.421 5.696 6.980 1.00 0.00 H new ATOM 0 HA HIS A 121 1.327 6.202 9.423 1.00 0.00 H new ATOM 0 HB2 HIS A 121 3.475 4.800 8.447 1.00 0.00 H new ATOM 0 HB3 HIS A 121 4.242 5.979 9.494 1.00 0.00 H new ATOM 0 HD2 HIS A 121 2.128 2.748 9.758 1.00 0.00 H new ATOM 0 HE1 HIS A 121 2.717 4.169 13.705 1.00 0.00 H new ATOM 0 HE2 HIS A 121 1.882 2.200 12.240 1.00 0.00 H new ATOM 1998 N GLN A 122 3.590 8.484 8.703 1.00 0.00 N ATOM 1999 CA GLN A 122 4.036 9.827 9.032 1.00 0.00 C ATOM 2000 C GLN A 122 2.842 10.702 9.418 1.00 0.00 C ATOM 2001 O GLN A 122 2.907 11.456 10.388 1.00 0.00 O ATOM 2002 CB GLN A 122 4.817 10.446 7.871 1.00 0.00 C ATOM 2003 CG GLN A 122 5.937 9.513 7.406 1.00 0.00 C ATOM 2004 CD GLN A 122 6.771 9.024 8.592 1.00 0.00 C ATOM 2005 OE1 GLN A 122 7.438 9.786 9.272 1.00 0.00 O ATOM 2006 NE2 GLN A 122 6.697 7.712 8.800 1.00 0.00 N ATOM 0 H GLN A 122 4.098 8.042 7.937 1.00 0.00 H new ATOM 0 HA GLN A 122 4.709 9.766 9.887 1.00 0.00 H new ATOM 0 HB2 GLN A 122 4.141 10.651 7.041 1.00 0.00 H new ATOM 0 HB3 GLN A 122 5.240 11.402 8.181 1.00 0.00 H new ATOM 0 HG2 GLN A 122 5.509 8.659 6.881 1.00 0.00 H new ATOM 0 HG3 GLN A 122 6.579 10.035 6.696 1.00 0.00 H new ATOM 0 HE21 GLN A 122 6.119 7.131 8.193 1.00 0.00 H new ATOM 0 HE22 GLN A 122 7.218 7.287 9.567 1.00 0.00 H new ATOM 2015 N HIS A 123 1.778 10.574 8.638 1.00 0.00 N ATOM 2016 CA HIS A 123 0.571 11.344 8.886 1.00 0.00 C ATOM 2017 C HIS A 123 0.305 11.412 10.391 1.00 0.00 C ATOM 2018 O HIS A 123 0.198 12.498 10.958 1.00 0.00 O ATOM 2019 CB HIS A 123 -0.610 10.771 8.100 1.00 0.00 C ATOM 2020 CG HIS A 123 -1.695 11.778 7.802 1.00 0.00 C ATOM 2021 ND1 HIS A 123 -2.461 11.735 6.649 1.00 0.00 N ATOM 2022 CD2 HIS A 123 -2.136 12.852 8.517 1.00 0.00 C ATOM 2023 CE1 HIS A 123 -3.319 12.744 6.680 1.00 0.00 C ATOM 2024 NE2 HIS A 123 -3.116 13.435 7.838 1.00 0.00 N ATOM 0 H HIS A 123 1.727 9.948 7.834 1.00 0.00 H new ATOM 0 HA HIS A 123 0.708 12.365 8.530 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -0.242 10.359 7.160 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -1.041 9.943 8.663 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -1.753 13.174 9.474 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -4.051 12.978 5.921 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -3.632 14.263 8.134 1.00 0.00 H new ATOM 2032 N LEU A 124 0.206 10.237 10.995 1.00 0.00 N ATOM 2033 CA LEU A 124 -0.045 10.148 12.423 1.00 0.00 C ATOM 2034 C LEU A 124 0.956 11.033 13.169 1.00 0.00 C ATOM 2035 O LEU A 124 0.566 11.866 13.985 1.00 0.00 O ATOM 2036 CB LEU A 124 -0.034 8.688 12.880 1.00 0.00 C ATOM 2037 CG LEU A 124 -1.339 7.914 12.683 1.00 0.00 C ATOM 2038 CD1 LEU A 124 -1.750 7.898 11.209 1.00 0.00 C ATOM 2039 CD2 LEU A 124 -1.233 6.503 13.264 1.00 0.00 C ATOM 0 H LEU A 124 0.295 9.338 10.521 1.00 0.00 H new ATOM 0 HA LEU A 124 -1.041 10.524 12.658 1.00 0.00 H new ATOM 0 HB2 LEU A 124 0.759 8.166 12.344 1.00 0.00 H new ATOM 0 HB3 LEU A 124 0.225 8.661 13.938 1.00 0.00 H new ATOM 0 HG LEU A 124 -2.128 8.429 13.231 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -2.681 7.342 11.097 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -1.894 8.921 10.860 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.968 7.420 10.618 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -2.174 5.975 13.111 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.428 5.963 12.765 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -1.021 6.564 14.331 1.00 0.00 H new ATOM 2051 N SER A 125 2.228 10.822 12.861 1.00 0.00 N ATOM 2052 CA SER A 125 3.288 11.590 13.491 1.00 0.00 C ATOM 2053 C SER A 125 3.069 13.084 13.246 1.00 0.00 C ATOM 2054 O SER A 125 2.829 13.842 14.185 1.00 0.00 O ATOM 2055 CB SER A 125 4.662 11.163 12.971 1.00 0.00 C ATOM 2056 OG SER A 125 5.105 9.947 13.568 1.00 0.00 O ATOM 0 H SER A 125 2.548 10.130 12.183 1.00 0.00 H new ATOM 0 HA SER A 125 3.259 11.396 14.563 1.00 0.00 H new ATOM 0 HB2 SER A 125 4.618 11.040 11.889 1.00 0.00 H new ATOM 0 HB3 SER A 125 5.387 11.951 13.173 1.00 0.00 H new ATOM 0 HG SER A 125 5.985 9.708 13.209 1.00 0.00 H new ATOM 2062 N SER A 126 3.158 13.463 11.980 1.00 0.00 N ATOM 2063 CA SER A 126 2.973 14.853 11.600 1.00 0.00 C ATOM 2064 C SER A 126 1.538 15.076 11.118 1.00 0.00 C ATOM 2065 O SER A 126 1.200 14.737 9.985 1.00 0.00 O ATOM 2066 CB SER A 126 3.968 15.265 10.513 1.00 0.00 C ATOM 2067 OG SER A 126 5.202 15.718 11.064 1.00 0.00 O ATOM 0 H SER A 126 3.356 12.831 11.204 1.00 0.00 H new ATOM 0 HA SER A 126 3.157 15.475 12.476 1.00 0.00 H new ATOM 0 HB2 SER A 126 4.155 14.418 9.852 1.00 0.00 H new ATOM 0 HB3 SER A 126 3.532 16.055 9.902 1.00 0.00 H new ATOM 0 HG SER A 126 5.811 15.970 10.339 1.00 0.00 H new ATOM 2073 N ARG A 127 0.733 15.646 12.002 1.00 0.00 N ATOM 2074 CA ARG A 127 -0.658 15.919 11.680 1.00 0.00 C ATOM 2075 C ARG A 127 -0.897 17.428 11.596 1.00 0.00 C ATOM 2076 O ARG A 127 -2.022 17.870 11.364 1.00 0.00 O ATOM 2077 CB ARG A 127 -1.594 15.319 12.731 1.00 0.00 C ATOM 2078 CG ARG A 127 -2.906 14.853 12.096 1.00 0.00 C ATOM 2079 CD ARG A 127 -4.066 14.967 13.086 1.00 0.00 C ATOM 2080 NE ARG A 127 -5.354 14.774 12.382 1.00 0.00 N ATOM 2081 CZ ARG A 127 -6.541 15.155 12.871 1.00 0.00 C ATOM 2082 NH1 ARG A 127 -6.613 15.752 14.069 1.00 0.00 N ATOM 2083 NH2 ARG A 127 -7.658 14.940 12.162 1.00 0.00 N ATOM 0 H ARG A 127 1.017 15.926 12.941 1.00 0.00 H new ATOM 0 HA ARG A 127 -0.872 15.460 10.715 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -1.104 14.478 13.221 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -1.803 16.060 13.503 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -3.119 15.453 11.211 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -2.807 13.819 11.765 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -3.957 14.221 13.873 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -4.049 15.944 13.568 1.00 0.00 H new ATOM 0 HE ARG A 127 -5.336 14.323 11.467 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -5.763 15.916 14.609 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -7.517 16.042 14.441 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -7.604 14.486 11.250 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -8.562 15.230 12.534 1.00 0.00 H new ATOM 2097 N THR A 128 0.179 18.177 11.789 1.00 0.00 N ATOM 2098 CA THR A 128 0.100 19.627 11.737 1.00 0.00 C ATOM 2099 C THR A 128 0.050 20.107 10.285 1.00 0.00 C ATOM 2100 O THR A 128 0.875 20.917 9.867 1.00 0.00 O ATOM 2101 CB THR A 128 1.284 20.193 12.524 1.00 0.00 C ATOM 2102 OG1 THR A 128 2.404 19.452 12.047 1.00 0.00 O ATOM 2103 CG2 THR A 128 1.216 19.848 14.013 1.00 0.00 C ATOM 0 H THR A 128 1.110 17.807 11.982 1.00 0.00 H new ATOM 0 HA THR A 128 -0.819 19.990 12.198 1.00 0.00 H new ATOM 0 HB THR A 128 1.315 21.276 12.403 1.00 0.00 H new ATOM 0 HG1 THR A 128 3.216 19.756 12.504 1.00 0.00 H new ATOM 0 HG21 THR A 128 2.079 20.273 14.525 1.00 0.00 H new ATOM 0 HG22 THR A 128 0.302 20.260 14.440 1.00 0.00 H new ATOM 0 HG23 THR A 128 1.219 18.765 14.136 1.00 0.00 H new ATOM 2111 N HIS A 129 -0.927 19.587 9.557 1.00 0.00 N ATOM 2112 CA HIS A 129 -1.095 19.952 8.161 1.00 0.00 C ATOM 2113 C HIS A 129 -2.305 20.878 8.015 1.00 0.00 C ATOM 2114 O HIS A 129 -2.151 22.094 7.909 1.00 0.00 O ATOM 2115 CB HIS A 129 -1.194 18.705 7.281 1.00 0.00 C ATOM 2116 CG HIS A 129 0.059 17.862 7.267 1.00 0.00 C ATOM 2117 ND1 HIS A 129 1.009 17.948 6.264 1.00 0.00 N ATOM 2118 CD2 HIS A 129 0.508 16.918 8.142 1.00 0.00 C ATOM 2119 CE1 HIS A 129 1.981 17.089 6.534 1.00 0.00 C ATOM 2120 NE2 HIS A 129 1.668 16.451 7.698 1.00 0.00 N ATOM 0 H HIS A 129 -1.610 18.916 9.908 1.00 0.00 H new ATOM 0 HA HIS A 129 -0.218 20.500 7.817 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -2.027 18.094 7.628 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -1.426 19.010 6.261 1.00 0.00 H new ATOM 0 HD2 HIS A 129 0.005 16.603 9.044 1.00 0.00 H new ATOM 0 HE1 HIS A 129 2.866 16.923 5.937 1.00 0.00 H new ATOM 0 HE2 HIS A 129 2.233 15.733 8.152 1.00 0.00 H new ATOM 2128 N GLY A 130 -3.480 20.267 8.014 1.00 0.00 N ATOM 2129 CA GLY A 130 -4.715 21.022 7.883 1.00 0.00 C ATOM 2130 C GLY A 130 -5.882 20.103 7.513 1.00 0.00 C ATOM 2131 O GLY A 130 -6.824 19.947 8.289 1.00 0.00 O ATOM 0 H GLY A 130 -3.604 19.258 8.102 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -4.934 21.534 8.820 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -4.596 21.791 7.119 1.00 0.00 H new ATOM 2135 N SER A 131 -5.782 19.520 6.328 1.00 0.00 N ATOM 2136 CA SER A 131 -6.817 18.621 5.846 1.00 0.00 C ATOM 2137 C SER A 131 -8.135 19.381 5.683 1.00 0.00 C ATOM 2138 O SER A 131 -8.713 19.846 6.665 1.00 0.00 O ATOM 2139 CB SER A 131 -7.001 17.435 6.794 1.00 0.00 C ATOM 2140 OG SER A 131 -7.839 17.761 7.900 1.00 0.00 O ATOM 0 H SER A 131 -5.000 19.653 5.687 1.00 0.00 H new ATOM 0 HA SER A 131 -6.508 18.231 4.876 1.00 0.00 H new ATOM 0 HB2 SER A 131 -7.433 16.597 6.247 1.00 0.00 H new ATOM 0 HB3 SER A 131 -6.027 17.109 7.160 1.00 0.00 H new ATOM 0 HG SER A 131 -7.924 18.735 7.971 1.00 0.00 H new ATOM 2146 N GLU A 132 -8.572 19.484 4.437 1.00 0.00 N ATOM 2147 CA GLU A 132 -9.811 20.179 4.133 1.00 0.00 C ATOM 2148 C GLU A 132 -10.868 19.189 3.639 1.00 0.00 C ATOM 2149 O GLU A 132 -10.685 18.544 2.607 1.00 0.00 O ATOM 2150 CB GLU A 132 -9.579 21.291 3.108 1.00 0.00 C ATOM 2151 CG GLU A 132 -8.942 22.517 3.764 1.00 0.00 C ATOM 2152 CD GLU A 132 -8.257 23.403 2.721 1.00 0.00 C ATOM 2153 OE1 GLU A 132 -8.866 23.587 1.645 1.00 0.00 O ATOM 2154 OE2 GLU A 132 -7.141 23.877 3.023 1.00 0.00 O ATOM 0 H GLU A 132 -8.090 19.097 3.625 1.00 0.00 H new ATOM 0 HA GLU A 132 -10.177 20.644 5.048 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -8.934 20.925 2.309 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -10.527 21.571 2.649 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -9.706 23.091 4.289 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.214 22.198 4.510 1.00 0.00 H new ATOM 2161 N ASP A 133 -11.950 19.099 4.398 1.00 0.00 N ATOM 2162 CA ASP A 133 -13.036 18.199 4.050 1.00 0.00 C ATOM 2163 C ASP A 133 -13.899 18.844 2.964 1.00 0.00 C ATOM 2164 O ASP A 133 -14.543 19.864 3.203 1.00 0.00 O ATOM 2165 CB ASP A 133 -13.929 17.919 5.260 1.00 0.00 C ATOM 2166 CG ASP A 133 -13.377 16.887 6.246 1.00 0.00 C ATOM 2167 OD1 ASP A 133 -12.153 16.644 6.187 1.00 0.00 O ATOM 2168 OD2 ASP A 133 -14.193 16.365 7.036 1.00 0.00 O ATOM 0 H ASP A 133 -12.098 19.635 5.253 1.00 0.00 H new ATOM 0 HA ASP A 133 -12.599 17.263 3.700 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -14.097 18.855 5.793 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -14.900 17.576 4.904 1.00 0.00 H new ATOM 2173 N SER A 134 -13.885 18.222 1.794 1.00 0.00 N ATOM 2174 CA SER A 134 -14.658 18.723 0.671 1.00 0.00 C ATOM 2175 C SER A 134 -15.960 17.930 0.537 1.00 0.00 C ATOM 2176 O SER A 134 -16.642 17.677 1.529 1.00 0.00 O ATOM 2177 CB SER A 134 -13.855 18.647 -0.629 1.00 0.00 C ATOM 2178 OG SER A 134 -14.024 19.814 -1.430 1.00 0.00 O ATOM 0 H SER A 134 -13.350 17.375 1.600 1.00 0.00 H new ATOM 0 HA SER A 134 -14.895 19.770 0.859 1.00 0.00 H new ATOM 0 HB2 SER A 134 -12.798 18.518 -0.395 1.00 0.00 H new ATOM 0 HB3 SER A 134 -14.166 17.770 -1.196 1.00 0.00 H new ATOM 0 HG SER A 134 -13.494 19.728 -2.250 1.00 0.00 H new TER 2184 SER A 134