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 41 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 119 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 89 LYS NZ :NH3+ 142:sc= 0.981 (180deg=-0.0238) USER MOD Set 2.2: A 96 SER OG : rot -148:sc= 1.02 USER MOD Set 3.1: A 22 LYS NZ :NH3+ -146:sc=-0.00361 (180deg=-0.197) USER MOD Set 3.2: A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 11 MET CE :methyl 139:sc= -1.92 (180deg=-0.625) USER MOD Set 4.2: A 121 HIS : no HE2:sc= -5.18! C(o=-7.1!,f=-8.9!) USER MOD Set 5.1: A 4 GLN : amide:sc= 0.601 K(o=0.41,f=-2.3) USER MOD Set 5.2: A 8 MET CE :methyl -147:sc= -0.193 (180deg=0) USER MOD Single : A 1 MET CE :methyl -141:sc= 0 (180deg=-0.0206) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -1.38 K(o=-1.4,f=-3.4!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= -1.12 K(o=-1.1,f=-5.1!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 23 ASN : amide:sc= -0.0647 X(o=-0.065,f=-0.54) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.588 X(o=-0.59,f=-0.94) USER MOD Single : A 46 SER OG : rot 180:sc= 0.0519 USER MOD Single : A 49 SER OG : rot -75:sc= 0.717 USER MOD Single : A 52 GLN : amide:sc= -1.61 K(o=-1.6,f=-3.6) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -73:sc= -2.99! USER MOD Single : A 60 ASN : amide:sc= -1.85! C(o=-1.8!,f=-4.1!) USER MOD Single : A 61 THR OG1 : rot 10:sc= 0.446! USER MOD Single : A 63 ASN : amide:sc= -0.296 K(o=-0.3,f=-3.1!) USER MOD Single : A 64 ASN : amide:sc= -0.408 K(o=-0.41,f=-1.4) USER MOD Single : A 69 ASN : amide:sc= -0.536 K(o=-0.54,f=-1.6) USER MOD Single : A 71 SER OG : rot 180:sc= -0.523 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+ 148:sc=-0.00343 (180deg=-0.0163) 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= -0.675 K(o=-0.67,f=-4.3!) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HD1:sc= -3! C(o=-3!,f=-1.3!) USER MOD Single : A 93 THR OG1 : rot 88:sc= -0.108 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 30:sc= -1.01 USER MOD Single : A 102 LYS NZ :NH3+ -147:sc= -0.127 (180deg=-0.87) 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 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc=-0.00753 K(o=-0.0075,f=0.65) USER MOD Single : A 118 LYS NZ :NH3+ -152:sc= -0.063 (180deg=-0.523) USER MOD Single : A 122 GLN : amide:sc= -3.86! C(o=-3.9!,f=-11!) 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 USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 54:sc= 0.951 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.354 -3.478 25.084 1.00 0.00 N ATOM 2 CA MET A 1 -10.464 -2.566 24.864 1.00 0.00 C ATOM 3 C MET A 1 -10.063 -1.126 25.191 1.00 0.00 C ATOM 4 O MET A 1 -9.632 -0.836 26.306 1.00 0.00 O ATOM 5 CB MET A 1 -11.646 -2.980 25.742 1.00 0.00 C ATOM 6 CG MET A 1 -12.629 -3.855 24.962 1.00 0.00 C ATOM 7 SD MET A 1 -14.062 -4.208 25.966 1.00 0.00 S ATOM 8 CE MET A 1 -15.009 -2.721 25.689 1.00 0.00 C ATOM 0 H1 MET A 1 -9.651 -4.448 24.855 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.556 -3.207 24.474 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.059 -3.432 26.080 1.00 0.00 H new ATOM 0 HA MET A 1 -10.747 -2.614 23.813 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.283 -3.524 26.614 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.158 -2.091 26.111 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.932 -3.348 24.046 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.144 -4.785 24.666 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.491 -2.418 26.619 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.346 -1.926 25.348 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.769 -2.910 24.931 1.00 0.00 H new ATOM 18 N GLN A 2 -10.219 -0.262 24.199 1.00 0.00 N ATOM 19 CA GLN A 2 -9.880 1.140 24.367 1.00 0.00 C ATOM 20 C GLN A 2 -10.124 1.906 23.065 1.00 0.00 C ATOM 21 O GLN A 2 -10.420 1.304 22.034 1.00 0.00 O ATOM 22 CB GLN A 2 -8.432 1.301 24.835 1.00 0.00 C ATOM 23 CG GLN A 2 -8.370 1.627 26.328 1.00 0.00 C ATOM 24 CD GLN A 2 -7.397 0.696 27.054 1.00 0.00 C ATOM 25 OE1 GLN A 2 -7.137 -0.420 26.635 1.00 0.00 O ATOM 26 NE2 GLN A 2 -6.876 1.214 28.162 1.00 0.00 N ATOM 0 H GLN A 2 -10.576 -0.506 23.275 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.526 1.560 25.138 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.878 0.383 24.636 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -7.948 2.095 24.266 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.058 2.662 26.465 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -9.364 1.533 26.766 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -7.137 2.155 28.456 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -6.216 0.670 28.718 1.00 0.00 H new ATOM 35 N GLY A 3 -9.989 3.221 23.155 1.00 0.00 N ATOM 36 CA GLY A 3 -10.192 4.074 21.997 1.00 0.00 C ATOM 37 C GLY A 3 -8.881 4.285 21.235 1.00 0.00 C ATOM 38 O GLY A 3 -7.801 4.216 21.820 1.00 0.00 O ATOM 0 H GLY A 3 -9.742 3.716 24.012 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -10.933 3.625 21.336 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -10.591 5.037 22.316 1.00 0.00 H new ATOM 42 N GLN A 4 -9.020 4.537 19.942 1.00 0.00 N ATOM 43 CA GLN A 4 -7.861 4.758 19.094 1.00 0.00 C ATOM 44 C GLN A 4 -8.153 5.856 18.070 1.00 0.00 C ATOM 45 O GLN A 4 -9.283 5.988 17.602 1.00 0.00 O ATOM 46 CB GLN A 4 -7.433 3.462 18.402 1.00 0.00 C ATOM 47 CG GLN A 4 -7.066 2.388 19.427 1.00 0.00 C ATOM 48 CD GLN A 4 -5.666 2.628 19.996 1.00 0.00 C ATOM 49 OE1 GLN A 4 -4.661 2.494 19.317 1.00 0.00 O ATOM 50 NE2 GLN A 4 -5.657 2.990 21.275 1.00 0.00 N ATOM 0 H GLN A 4 -9.918 4.593 19.461 1.00 0.00 H new ATOM 0 HA GLN A 4 -7.033 5.086 19.722 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -8.241 3.101 17.766 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -6.579 3.657 17.753 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.796 2.388 20.236 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.109 1.404 18.959 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -6.536 3.083 21.785 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -4.772 3.174 21.747 1.00 0.00 H new ATOM 59 N ASP A 5 -7.116 6.617 17.753 1.00 0.00 N ATOM 60 CA ASP A 5 -7.248 7.700 16.793 1.00 0.00 C ATOM 61 C ASP A 5 -7.790 7.144 15.475 1.00 0.00 C ATOM 62 O ASP A 5 -7.492 6.009 15.106 1.00 0.00 O ATOM 63 CB ASP A 5 -5.893 8.352 16.509 1.00 0.00 C ATOM 64 CG ASP A 5 -5.398 9.312 17.593 1.00 0.00 C ATOM 65 OD1 ASP A 5 -5.910 9.199 18.728 1.00 0.00 O ATOM 66 OD2 ASP A 5 -4.519 10.137 17.262 1.00 0.00 O ATOM 0 H ASP A 5 -6.181 6.505 18.144 1.00 0.00 H new ATOM 0 HA ASP A 5 -7.925 8.443 17.214 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -5.150 7.566 16.374 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.958 8.895 15.566 1.00 0.00 H new ATOM 71 N ARG A 6 -8.577 7.969 14.801 1.00 0.00 N ATOM 72 CA ARG A 6 -9.164 7.575 13.532 1.00 0.00 C ATOM 73 C ARG A 6 -8.118 7.647 12.418 1.00 0.00 C ATOM 74 O ARG A 6 -8.279 7.026 11.368 1.00 0.00 O ATOM 75 CB ARG A 6 -10.348 8.473 13.169 1.00 0.00 C ATOM 76 CG ARG A 6 -11.677 7.788 13.497 1.00 0.00 C ATOM 77 CD ARG A 6 -12.455 7.463 12.220 1.00 0.00 C ATOM 78 NE ARG A 6 -13.905 7.646 12.451 1.00 0.00 N ATOM 79 CZ ARG A 6 -14.860 7.215 11.615 1.00 0.00 C ATOM 80 NH1 ARG A 6 -14.523 6.572 10.489 1.00 0.00 N ATOM 81 NH2 ARG A 6 -16.151 7.425 11.906 1.00 0.00 N ATOM 0 H ARG A 6 -8.822 8.910 15.110 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.519 6.550 13.636 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -10.276 9.414 13.714 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -10.312 8.716 12.107 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -11.490 6.871 14.056 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -12.276 8.436 14.137 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -12.123 8.110 11.408 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -12.254 6.437 11.913 1.00 0.00 H new ATOM 0 HE ARG A 6 -14.196 8.131 13.300 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -13.540 6.411 10.268 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -15.249 6.244 9.852 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -16.408 7.913 12.764 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -16.877 7.097 11.269 1.00 0.00 H new ATOM 95 N HIS A 7 -7.069 8.411 12.684 1.00 0.00 N ATOM 96 CA HIS A 7 -5.996 8.573 11.717 1.00 0.00 C ATOM 97 C HIS A 7 -4.956 7.468 11.915 1.00 0.00 C ATOM 98 O HIS A 7 -4.321 7.030 10.957 1.00 0.00 O ATOM 99 CB HIS A 7 -5.394 9.977 11.804 1.00 0.00 C ATOM 100 CG HIS A 7 -6.381 11.086 11.531 1.00 0.00 C ATOM 101 ND1 HIS A 7 -6.896 11.894 12.530 1.00 0.00 N ATOM 102 CD2 HIS A 7 -6.941 11.514 10.363 1.00 0.00 C ATOM 103 CE1 HIS A 7 -7.728 12.764 11.977 1.00 0.00 C ATOM 104 NE2 HIS A 7 -7.755 12.527 10.634 1.00 0.00 N ATOM 0 H HIS A 7 -6.939 8.925 13.555 1.00 0.00 H new ATOM 0 HA HIS A 7 -6.393 8.473 10.707 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -4.970 10.118 12.798 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -4.571 10.053 11.093 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -6.754 11.099 9.384 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -8.287 13.527 12.498 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -8.309 13.043 9.951 1.00 0.00 H new ATOM 112 N MET A 8 -4.814 7.050 13.164 1.00 0.00 N ATOM 113 CA MET A 8 -3.862 6.005 13.499 1.00 0.00 C ATOM 114 C MET A 8 -4.310 4.654 12.937 1.00 0.00 C ATOM 115 O MET A 8 -3.480 3.836 12.543 1.00 0.00 O ATOM 116 CB MET A 8 -3.727 5.905 15.020 1.00 0.00 C ATOM 117 CG MET A 8 -2.787 4.765 15.414 1.00 0.00 C ATOM 118 SD MET A 8 -3.529 3.778 16.703 1.00 0.00 S ATOM 119 CE MET A 8 -2.388 4.100 18.037 1.00 0.00 C ATOM 0 H MET A 8 -5.342 7.416 13.956 1.00 0.00 H new ATOM 0 HA MET A 8 -2.900 6.261 13.056 1.00 0.00 H new ATOM 0 HB2 MET A 8 -3.349 6.847 15.418 1.00 0.00 H new ATOM 0 HB3 MET A 8 -4.708 5.742 15.466 1.00 0.00 H new ATOM 0 HG2 MET A 8 -2.574 4.142 14.545 1.00 0.00 H new ATOM 0 HG3 MET A 8 -1.835 5.170 15.757 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.308 3.215 18.669 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.408 4.343 17.627 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.751 4.938 18.632 1.00 0.00 H new ATOM 129 N ILE A 9 -5.621 4.462 12.917 1.00 0.00 N ATOM 130 CA ILE A 9 -6.188 3.225 12.410 1.00 0.00 C ATOM 131 C ILE A 9 -6.304 3.309 10.887 1.00 0.00 C ATOM 132 O ILE A 9 -6.205 2.296 10.196 1.00 0.00 O ATOM 133 CB ILE A 9 -7.513 2.916 13.111 1.00 0.00 C ATOM 134 CG1 ILE A 9 -8.610 3.882 12.661 1.00 0.00 C ATOM 135 CG2 ILE A 9 -7.340 2.912 14.631 1.00 0.00 C ATOM 136 CD1 ILE A 9 -9.387 3.315 11.472 1.00 0.00 C ATOM 0 H ILE A 9 -6.306 5.143 13.244 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.531 2.385 12.635 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.828 1.914 12.820 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.293 4.073 13.489 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.166 4.839 12.387 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.296 2.690 15.105 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -6.610 2.153 14.912 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.990 3.891 14.960 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -10.161 4.022 11.172 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.705 3.148 10.638 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.850 2.370 11.757 1.00 0.00 H new ATOM 148 N ARG A 10 -6.513 4.526 10.407 1.00 0.00 N ATOM 149 CA ARG A 10 -6.643 4.756 8.978 1.00 0.00 C ATOM 150 C ARG A 10 -5.523 4.039 8.221 1.00 0.00 C ATOM 151 O ARG A 10 -5.755 3.468 7.157 1.00 0.00 O ATOM 152 CB ARG A 10 -6.594 6.250 8.654 1.00 0.00 C ATOM 153 CG ARG A 10 -7.194 6.532 7.275 1.00 0.00 C ATOM 154 CD ARG A 10 -8.708 6.308 7.280 1.00 0.00 C ATOM 155 NE ARG A 10 -9.325 6.996 6.124 1.00 0.00 N ATOM 156 CZ ARG A 10 -9.211 6.582 4.855 1.00 0.00 C ATOM 157 NH1 ARG A 10 -8.503 5.480 4.571 1.00 0.00 N ATOM 158 NH2 ARG A 10 -9.806 7.269 3.870 1.00 0.00 N ATOM 0 H ARG A 10 -6.596 5.364 10.983 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.609 4.360 8.665 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.141 6.809 9.414 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.562 6.599 8.684 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.976 7.559 6.982 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.729 5.883 6.533 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.926 5.241 7.238 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.137 6.684 8.209 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.871 7.838 6.305 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.051 4.957 5.321 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.416 5.165 3.605 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.346 8.107 4.087 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.719 6.954 2.904 1.00 0.00 H new ATOM 172 N MET A 11 -4.332 4.094 8.800 1.00 0.00 N ATOM 173 CA MET A 11 -3.176 3.457 8.193 1.00 0.00 C ATOM 174 C MET A 11 -2.971 2.047 8.750 1.00 0.00 C ATOM 175 O MET A 11 -2.444 1.174 8.062 1.00 0.00 O ATOM 176 CB MET A 11 -1.928 4.300 8.465 1.00 0.00 C ATOM 177 CG MET A 11 -1.723 4.508 9.966 1.00 0.00 C ATOM 178 SD MET A 11 -0.118 3.897 10.454 1.00 0.00 S ATOM 179 CE MET A 11 -0.579 2.908 11.867 1.00 0.00 C ATOM 0 H MET A 11 -4.143 4.570 9.682 1.00 0.00 H new ATOM 0 HA MET A 11 -3.348 3.381 7.119 1.00 0.00 H new ATOM 0 HB2 MET A 11 -1.053 3.808 8.040 1.00 0.00 H new ATOM 0 HB3 MET A 11 -2.023 5.266 7.970 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.807 5.567 10.210 1.00 0.00 H new ATOM 0 HG3 MET A 11 -2.503 3.990 10.523 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.011 1.977 11.861 1.00 0.00 H new ATOM 0 HE2 MET A 11 -0.363 3.459 12.783 1.00 0.00 H new ATOM 0 HE3 MET A 11 -1.645 2.683 11.822 1.00 0.00 H new ATOM 189 N ARG A 12 -3.398 1.868 9.992 1.00 0.00 N ATOM 190 CA ARG A 12 -3.268 0.578 10.649 1.00 0.00 C ATOM 191 C ARG A 12 -4.041 -0.492 9.876 1.00 0.00 C ATOM 192 O ARG A 12 -3.466 -1.492 9.450 1.00 0.00 O ATOM 193 CB ARG A 12 -3.791 0.638 12.086 1.00 0.00 C ATOM 194 CG ARG A 12 -3.053 -0.361 12.979 1.00 0.00 C ATOM 195 CD ARG A 12 -3.252 -0.025 14.459 1.00 0.00 C ATOM 196 NE ARG A 12 -2.906 -1.196 15.295 1.00 0.00 N ATOM 197 CZ ARG A 12 -1.659 -1.505 15.676 1.00 0.00 C ATOM 198 NH1 ARG A 12 -0.632 -0.732 15.298 1.00 0.00 N ATOM 199 NH2 ARG A 12 -1.440 -2.588 16.435 1.00 0.00 N ATOM 0 H ARG A 12 -3.834 2.594 10.560 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.209 0.321 10.670 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.666 1.646 12.481 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.859 0.422 12.098 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.415 -1.369 12.779 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.990 -0.351 12.740 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.628 0.826 14.734 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.287 0.267 14.638 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.664 -1.806 15.600 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.799 0.092 14.720 1.00 0.00 H new ATOM 0 HH12 ARG A 12 0.317 -0.967 15.588 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.222 -3.176 16.722 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.491 -2.824 16.725 1.00 0.00 H new ATOM 213 N GLN A 13 -5.334 -0.246 9.720 1.00 0.00 N ATOM 214 CA GLN A 13 -6.192 -1.176 9.006 1.00 0.00 C ATOM 215 C GLN A 13 -5.524 -1.620 7.702 1.00 0.00 C ATOM 216 O GLN A 13 -5.677 -2.766 7.282 1.00 0.00 O ATOM 217 CB GLN A 13 -7.565 -0.558 8.736 1.00 0.00 C ATOM 218 CG GLN A 13 -8.316 -0.297 10.043 1.00 0.00 C ATOM 219 CD GLN A 13 -8.839 -1.603 10.645 1.00 0.00 C ATOM 220 OE1 GLN A 13 -8.304 -2.677 10.424 1.00 0.00 O ATOM 221 NE2 GLN A 13 -9.912 -1.452 11.416 1.00 0.00 N ATOM 0 H GLN A 13 -5.808 0.584 10.076 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.343 -2.055 9.632 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.446 0.377 8.188 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.150 -1.226 8.103 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.654 0.196 10.755 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.149 0.382 9.859 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.310 -0.524 11.560 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.337 -2.264 11.864 1.00 0.00 H new ATOM 230 N LEU A 14 -4.799 -0.690 7.099 1.00 0.00 N ATOM 231 CA LEU A 14 -4.108 -0.971 5.852 1.00 0.00 C ATOM 232 C LEU A 14 -2.993 -1.986 6.110 1.00 0.00 C ATOM 233 O LEU A 14 -3.061 -3.121 5.639 1.00 0.00 O ATOM 234 CB LEU A 14 -3.620 0.327 5.206 1.00 0.00 C ATOM 235 CG LEU A 14 -4.709 1.308 4.765 1.00 0.00 C ATOM 236 CD1 LEU A 14 -4.169 2.300 3.734 1.00 0.00 C ATOM 237 CD2 LEU A 14 -5.943 0.563 4.252 1.00 0.00 C ATOM 0 H LEU A 14 -4.675 0.259 7.451 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.790 -1.422 5.131 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.964 0.837 5.912 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.015 0.071 4.336 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.020 1.886 5.635 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.963 2.985 3.438 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.345 2.866 4.170 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.813 1.757 2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.701 1.283 3.945 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.665 -0.057 3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.343 -0.069 5.045 1.00 0.00 H new ATOM 249 N ILE A 15 -1.993 -1.542 6.857 1.00 0.00 N ATOM 250 CA ILE A 15 -0.865 -2.398 7.183 1.00 0.00 C ATOM 251 C ILE A 15 -1.382 -3.731 7.727 1.00 0.00 C ATOM 252 O ILE A 15 -0.780 -4.778 7.492 1.00 0.00 O ATOM 253 CB ILE A 15 0.097 -1.679 8.131 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.795 -0.515 7.425 1.00 0.00 C ATOM 255 CG2 ILE A 15 1.099 -2.660 8.744 1.00 0.00 C ATOM 256 CD1 ILE A 15 0.288 0.829 7.953 1.00 0.00 C ATOM 0 H ILE A 15 -1.940 -0.601 7.246 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.286 -2.622 6.287 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.484 -1.257 8.951 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.872 -0.586 7.576 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.619 -0.578 6.351 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.771 -2.123 9.414 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.562 -3.425 9.305 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.678 -3.132 7.950 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.800 1.640 7.435 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.785 0.907 7.778 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.488 0.899 9.022 1.00 0.00 H new ATOM 268 N ASP A 16 -2.494 -3.650 8.444 1.00 0.00 N ATOM 269 CA ASP A 16 -3.099 -4.837 9.023 1.00 0.00 C ATOM 270 C ASP A 16 -3.721 -5.682 7.909 1.00 0.00 C ATOM 271 O ASP A 16 -3.586 -6.905 7.904 1.00 0.00 O ATOM 272 CB ASP A 16 -4.208 -4.465 10.009 1.00 0.00 C ATOM 273 CG ASP A 16 -4.246 -5.306 11.286 1.00 0.00 C ATOM 274 OD1 ASP A 16 -3.951 -6.516 11.178 1.00 0.00 O ATOM 275 OD2 ASP A 16 -4.570 -4.721 12.342 1.00 0.00 O ATOM 0 H ASP A 16 -2.991 -2.781 8.637 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.320 -5.390 9.548 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.091 -3.417 10.285 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.169 -4.556 9.503 1.00 0.00 H new ATOM 280 N ILE A 17 -4.389 -4.997 6.993 1.00 0.00 N ATOM 281 CA ILE A 17 -5.032 -5.669 5.877 1.00 0.00 C ATOM 282 C ILE A 17 -3.985 -6.465 5.095 1.00 0.00 C ATOM 283 O ILE A 17 -4.238 -7.599 4.689 1.00 0.00 O ATOM 284 CB ILE A 17 -5.807 -4.665 5.021 1.00 0.00 C ATOM 285 CG1 ILE A 17 -7.307 -4.739 5.313 1.00 0.00 C ATOM 286 CG2 ILE A 17 -5.502 -4.861 3.535 1.00 0.00 C ATOM 287 CD1 ILE A 17 -8.032 -3.505 4.773 1.00 0.00 C ATOM 0 H ILE A 17 -4.499 -3.983 7.001 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.772 -6.383 6.238 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.476 -3.661 5.288 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.725 -5.638 4.860 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.468 -4.819 6.388 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.066 -4.135 2.949 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.435 -4.719 3.361 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.787 -5.869 3.235 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -9.097 -3.583 4.994 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.628 -2.610 5.246 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.889 -3.442 3.694 1.00 0.00 H new ATOM 299 N VAL A 18 -2.833 -5.840 4.906 1.00 0.00 N ATOM 300 CA VAL A 18 -1.747 -6.476 4.179 1.00 0.00 C ATOM 301 C VAL A 18 -1.248 -7.686 4.972 1.00 0.00 C ATOM 302 O VAL A 18 -1.338 -8.819 4.503 1.00 0.00 O ATOM 303 CB VAL A 18 -0.644 -5.456 3.889 1.00 0.00 C ATOM 304 CG1 VAL A 18 0.260 -5.935 2.751 1.00 0.00 C ATOM 305 CG2 VAL A 18 -1.237 -4.081 3.576 1.00 0.00 C ATOM 0 H VAL A 18 -2.627 -4.900 5.243 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.096 -6.841 3.213 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.032 -5.360 4.786 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.035 -5.192 2.565 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.724 -6.882 3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.334 -6.073 1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.432 -3.375 3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.884 -4.154 2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.819 -3.733 4.429 1.00 0.00 H new ATOM 315 N ASP A 19 -0.733 -7.404 6.160 1.00 0.00 N ATOM 316 CA ASP A 19 -0.220 -8.455 7.022 1.00 0.00 C ATOM 317 C ASP A 19 -1.199 -9.631 7.022 1.00 0.00 C ATOM 318 O ASP A 19 -0.789 -10.784 7.152 1.00 0.00 O ATOM 319 CB ASP A 19 -0.073 -7.962 8.463 1.00 0.00 C ATOM 320 CG ASP A 19 0.087 -9.066 9.510 1.00 0.00 C ATOM 321 OD1 ASP A 19 0.515 -10.170 9.110 1.00 0.00 O ATOM 322 OD2 ASP A 19 -0.223 -8.781 10.687 1.00 0.00 O ATOM 0 H ASP A 19 -0.660 -6.463 6.546 1.00 0.00 H new ATOM 0 HA ASP A 19 0.756 -8.757 6.643 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.792 -7.301 8.519 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.948 -7.364 8.718 1.00 0.00 H new ATOM 327 N GLN A 20 -2.473 -9.300 6.874 1.00 0.00 N ATOM 328 CA GLN A 20 -3.513 -10.314 6.856 1.00 0.00 C ATOM 329 C GLN A 20 -3.416 -11.150 5.578 1.00 0.00 C ATOM 330 O GLN A 20 -3.340 -12.377 5.639 1.00 0.00 O ATOM 331 CB GLN A 20 -4.899 -9.681 6.993 1.00 0.00 C ATOM 332 CG GLN A 20 -5.823 -10.563 7.835 1.00 0.00 C ATOM 333 CD GLN A 20 -6.626 -9.722 8.830 1.00 0.00 C ATOM 334 OE1 GLN A 20 -7.074 -8.626 8.536 1.00 0.00 O ATOM 335 NE2 GLN A 20 -6.782 -10.295 10.020 1.00 0.00 N ATOM 0 H GLN A 20 -2.809 -8.343 6.765 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.365 -10.974 7.711 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.810 -8.697 7.454 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.334 -9.532 6.005 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.504 -11.110 7.183 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.233 -11.305 8.373 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -6.380 -11.215 10.199 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.303 -9.814 10.753 1.00 0.00 H new ATOM 344 N LEU A 21 -3.421 -10.454 4.451 1.00 0.00 N ATOM 345 CA LEU A 21 -3.334 -11.116 3.161 1.00 0.00 C ATOM 346 C LEU A 21 -1.977 -11.812 3.040 1.00 0.00 C ATOM 347 O LEU A 21 -1.883 -12.903 2.480 1.00 0.00 O ATOM 348 CB LEU A 21 -3.621 -10.127 2.030 1.00 0.00 C ATOM 349 CG LEU A 21 -3.117 -10.530 0.643 1.00 0.00 C ATOM 350 CD1 LEU A 21 -1.590 -10.465 0.574 1.00 0.00 C ATOM 351 CD2 LEU A 21 -3.651 -11.907 0.244 1.00 0.00 C ATOM 0 H LEU A 21 -3.484 -9.437 4.405 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.098 -11.889 3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.699 -9.974 1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.176 -9.167 2.292 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.503 -9.813 -0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.258 -10.756 -0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.259 -9.448 0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.163 -11.145 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.278 -12.169 -0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.316 -12.651 0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.741 -11.884 0.226 1.00 0.00 H new ATOM 363 N LYS A 22 -0.960 -11.152 3.574 1.00 0.00 N ATOM 364 CA LYS A 22 0.388 -11.694 3.533 1.00 0.00 C ATOM 365 C LYS A 22 0.403 -13.065 4.212 1.00 0.00 C ATOM 366 O LYS A 22 0.975 -14.017 3.683 1.00 0.00 O ATOM 367 CB LYS A 22 1.383 -10.699 4.133 1.00 0.00 C ATOM 368 CG LYS A 22 1.829 -9.672 3.090 1.00 0.00 C ATOM 369 CD LYS A 22 3.231 -9.146 3.403 1.00 0.00 C ATOM 370 CE LYS A 22 3.179 -8.040 4.458 1.00 0.00 C ATOM 371 NZ LYS A 22 3.737 -8.521 5.742 1.00 0.00 N ATOM 0 H LYS A 22 -1.042 -10.247 4.037 1.00 0.00 H new ATOM 0 HA LYS A 22 0.707 -11.846 2.502 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.925 -10.187 4.980 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.252 -11.234 4.516 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.820 -10.127 2.100 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.122 -8.842 3.066 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.859 -9.963 3.758 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.691 -8.763 2.492 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.742 -7.173 4.112 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.149 -7.715 4.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.225 -8.077 6.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.634 -9.554 5.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.745 -8.270 5.798 1.00 0.00 H new ATOM 385 N ASN A 23 -0.232 -13.121 5.374 1.00 0.00 N ATOM 386 CA ASN A 23 -0.299 -14.360 6.130 1.00 0.00 C ATOM 387 C ASN A 23 -1.193 -15.357 5.391 1.00 0.00 C ATOM 388 O ASN A 23 -1.312 -16.511 5.799 1.00 0.00 O ATOM 389 CB ASN A 23 -0.898 -14.126 7.518 1.00 0.00 C ATOM 390 CG ASN A 23 0.048 -14.618 8.615 1.00 0.00 C ATOM 391 OD1 ASN A 23 0.728 -15.622 8.479 1.00 0.00 O ATOM 392 ND2 ASN A 23 0.054 -13.858 9.706 1.00 0.00 N ATOM 0 H ASN A 23 -0.704 -12.329 5.810 1.00 0.00 H new ATOM 0 HA ASN A 23 0.715 -14.746 6.235 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.099 -13.064 7.656 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.853 -14.645 7.598 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.653 -14.103 10.495 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.540 -13.030 9.754 1.00 0.00 H new ATOM 399 N TYR A 24 -1.800 -14.875 4.316 1.00 0.00 N ATOM 400 CA TYR A 24 -2.680 -15.709 3.516 1.00 0.00 C ATOM 401 C TYR A 24 -2.206 -15.770 2.062 1.00 0.00 C ATOM 402 O TYR A 24 -2.987 -16.076 1.163 1.00 0.00 O ATOM 403 CB TYR A 24 -4.055 -15.040 3.564 1.00 0.00 C ATOM 404 CG TYR A 24 -4.839 -15.319 4.847 1.00 0.00 C ATOM 405 CD1 TYR A 24 -4.300 -14.982 6.073 1.00 0.00 C ATOM 406 CD2 TYR A 24 -6.085 -15.909 4.780 1.00 0.00 C ATOM 407 CE1 TYR A 24 -5.038 -15.246 7.281 1.00 0.00 C ATOM 408 CE2 TYR A 24 -6.823 -16.172 5.989 1.00 0.00 C ATOM 409 CZ TYR A 24 -6.263 -15.828 7.179 1.00 0.00 C ATOM 410 OH TYR A 24 -6.960 -16.076 8.320 1.00 0.00 O ATOM 0 H TYR A 24 -1.699 -13.917 3.981 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.698 -16.728 3.902 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.927 -13.963 3.456 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.642 -15.379 2.711 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.325 -14.520 6.126 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -6.507 -16.173 3.821 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.628 -14.988 8.246 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.799 -16.632 5.951 1.00 0.00 H new ATOM 0 HH TYR A 24 -7.818 -16.493 8.095 1.00 0.00 H new ATOM 420 N VAL A 25 -0.928 -15.474 1.877 1.00 0.00 N ATOM 421 CA VAL A 25 -0.340 -15.492 0.549 1.00 0.00 C ATOM 422 C VAL A 25 -0.500 -16.888 -0.057 1.00 0.00 C ATOM 423 O VAL A 25 -0.445 -17.050 -1.275 1.00 0.00 O ATOM 424 CB VAL A 25 1.118 -15.032 0.615 1.00 0.00 C ATOM 425 CG1 VAL A 25 1.207 -13.529 0.887 1.00 0.00 C ATOM 426 CG2 VAL A 25 1.896 -15.827 1.666 1.00 0.00 C ATOM 0 H VAL A 25 -0.283 -15.220 2.625 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.858 -14.792 -0.107 1.00 0.00 H new ATOM 0 HB VAL A 25 1.575 -15.224 -0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.254 -13.228 0.929 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.705 -12.984 0.088 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.726 -13.302 1.838 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.929 -15.481 1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.439 -15.681 2.645 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.875 -16.886 1.410 1.00 0.00 H new ATOM 436 N ASN A 26 -0.694 -17.860 0.822 1.00 0.00 N ATOM 437 CA ASN A 26 -0.862 -19.237 0.389 1.00 0.00 C ATOM 438 C ASN A 26 -1.837 -19.281 -0.789 1.00 0.00 C ATOM 439 O ASN A 26 -1.797 -20.207 -1.599 1.00 0.00 O ATOM 440 CB ASN A 26 -1.439 -20.101 1.513 1.00 0.00 C ATOM 441 CG ASN A 26 -1.245 -21.589 1.214 1.00 0.00 C ATOM 442 OD1 ASN A 26 -2.132 -22.272 0.729 1.00 0.00 O ATOM 443 ND2 ASN A 26 -0.039 -22.052 1.531 1.00 0.00 N ATOM 0 H ASN A 26 -0.739 -17.722 1.832 1.00 0.00 H new ATOM 0 HA ASN A 26 0.117 -19.623 0.103 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.954 -19.849 2.456 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.501 -19.886 1.634 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.189 -23.033 1.371 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.658 -21.426 1.934 1.00 0.00 H new ATOM 450 N ASP A 27 -2.691 -18.270 -0.848 1.00 0.00 N ATOM 451 CA ASP A 27 -3.675 -18.182 -1.913 1.00 0.00 C ATOM 452 C ASP A 27 -3.474 -16.873 -2.680 1.00 0.00 C ATOM 453 O ASP A 27 -4.399 -16.072 -2.800 1.00 0.00 O ATOM 454 CB ASP A 27 -5.098 -18.187 -1.351 1.00 0.00 C ATOM 455 CG ASP A 27 -5.629 -19.563 -0.946 1.00 0.00 C ATOM 456 OD1 ASP A 27 -4.806 -20.504 -0.920 1.00 0.00 O ATOM 457 OD2 ASP A 27 -6.845 -19.644 -0.671 1.00 0.00 O ATOM 0 H ASP A 27 -2.722 -17.504 -0.175 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.543 -19.045 -2.566 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.131 -17.531 -0.481 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.769 -17.761 -2.097 1.00 0.00 H new ATOM 462 N LEU A 28 -2.259 -16.698 -3.179 1.00 0.00 N ATOM 463 CA LEU A 28 -1.925 -15.500 -3.931 1.00 0.00 C ATOM 464 C LEU A 28 -1.434 -15.898 -5.324 1.00 0.00 C ATOM 465 O LEU A 28 -0.616 -16.806 -5.462 1.00 0.00 O ATOM 466 CB LEU A 28 -0.931 -14.638 -3.151 1.00 0.00 C ATOM 467 CG LEU A 28 -1.534 -13.505 -2.318 1.00 0.00 C ATOM 468 CD1 LEU A 28 -0.442 -12.575 -1.786 1.00 0.00 C ATOM 469 CD2 LEU A 28 -2.597 -12.745 -3.114 1.00 0.00 C ATOM 0 H LEU A 28 -1.494 -17.365 -3.077 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.809 -14.878 -4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.361 -15.287 -2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.223 -14.205 -3.858 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.032 -13.944 -1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.897 -11.779 -1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.245 -13.142 -1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.105 -12.140 -2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.010 -11.945 -2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.145 -12.318 -4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.395 -13.430 -3.402 1.00 0.00 H new ATOM 481 N VAL A 29 -1.954 -15.200 -6.323 1.00 0.00 N ATOM 482 CA VAL A 29 -1.578 -15.469 -7.700 1.00 0.00 C ATOM 483 C VAL A 29 -0.377 -14.599 -8.076 1.00 0.00 C ATOM 484 O VAL A 29 -0.447 -13.373 -8.004 1.00 0.00 O ATOM 485 CB VAL A 29 -2.781 -15.257 -8.622 1.00 0.00 C ATOM 486 CG1 VAL A 29 -2.901 -13.789 -9.038 1.00 0.00 C ATOM 487 CG2 VAL A 29 -2.701 -16.170 -9.847 1.00 0.00 C ATOM 0 H VAL A 29 -2.633 -14.448 -6.206 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.275 -16.510 -7.816 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.680 -15.522 -8.066 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.764 -13.666 -9.693 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.027 -13.169 -8.151 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.998 -13.486 -9.567 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.568 -15.999 -10.485 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.791 -15.951 -10.405 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.687 -17.211 -9.525 1.00 0.00 H new ATOM 497 N PRO A 30 0.726 -15.286 -8.478 1.00 0.00 N ATOM 498 CA PRO A 30 1.941 -14.589 -8.865 1.00 0.00 C ATOM 499 C PRO A 30 1.791 -13.952 -10.248 1.00 0.00 C ATOM 500 O PRO A 30 1.827 -14.646 -11.263 1.00 0.00 O ATOM 501 CB PRO A 30 3.033 -15.645 -8.813 1.00 0.00 C ATOM 502 CG PRO A 30 2.319 -16.986 -8.853 1.00 0.00 C ATOM 503 CD PRO A 30 0.845 -16.738 -8.575 1.00 0.00 C ATOM 0 HA PRO A 30 2.178 -13.757 -8.202 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.717 -15.541 -9.656 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.628 -15.547 -7.905 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.450 -17.459 -9.826 1.00 0.00 H new ATOM 0 HG3 PRO A 30 2.739 -17.664 -8.110 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.219 -17.134 -9.375 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.529 -17.224 -7.652 1.00 0.00 H new ATOM 511 N GLU A 31 1.626 -12.637 -10.243 1.00 0.00 N ATOM 512 CA GLU A 31 1.470 -11.898 -11.485 1.00 0.00 C ATOM 513 C GLU A 31 2.393 -10.678 -11.496 1.00 0.00 C ATOM 514 O GLU A 31 2.874 -10.250 -10.448 1.00 0.00 O ATOM 515 CB GLU A 31 0.012 -11.486 -11.698 1.00 0.00 C ATOM 516 CG GLU A 31 -0.843 -12.686 -12.110 1.00 0.00 C ATOM 517 CD GLU A 31 -0.840 -12.865 -13.630 1.00 0.00 C ATOM 518 OE1 GLU A 31 0.246 -12.682 -14.220 1.00 0.00 O ATOM 519 OE2 GLU A 31 -1.924 -13.181 -14.166 1.00 0.00 O ATOM 0 H GLU A 31 1.597 -12.065 -9.399 1.00 0.00 H new ATOM 0 HA GLU A 31 1.753 -12.550 -12.312 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.384 -11.051 -10.781 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.043 -10.715 -12.466 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.462 -13.589 -11.633 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.865 -12.547 -11.759 1.00 0.00 H new ATOM 526 N PHE A 32 2.612 -10.152 -12.692 1.00 0.00 N ATOM 527 CA PHE A 32 3.468 -8.989 -12.853 1.00 0.00 C ATOM 528 C PHE A 32 2.853 -7.758 -12.185 1.00 0.00 C ATOM 529 O PHE A 32 2.080 -7.031 -12.807 1.00 0.00 O ATOM 530 CB PHE A 32 3.593 -8.731 -14.355 1.00 0.00 C ATOM 531 CG PHE A 32 4.733 -9.500 -15.026 1.00 0.00 C ATOM 532 CD1 PHE A 32 5.065 -10.743 -14.587 1.00 0.00 C ATOM 533 CD2 PHE A 32 5.414 -8.940 -16.062 1.00 0.00 C ATOM 534 CE1 PHE A 32 6.123 -11.457 -15.210 1.00 0.00 C ATOM 535 CE2 PHE A 32 6.472 -9.654 -16.685 1.00 0.00 C ATOM 536 CZ PHE A 32 6.804 -10.898 -16.246 1.00 0.00 C ATOM 0 H PHE A 32 2.211 -10.510 -13.559 1.00 0.00 H new ATOM 0 HA PHE A 32 4.437 -9.173 -12.390 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.654 -8.999 -14.839 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.743 -7.664 -14.519 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.524 -11.188 -13.765 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.150 -7.952 -16.411 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.387 -12.444 -14.861 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.013 -9.209 -17.507 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.608 -11.441 -16.720 1.00 0.00 H new ATOM 546 N LEU A 33 3.218 -7.562 -10.926 1.00 0.00 N ATOM 547 CA LEU A 33 2.712 -6.431 -10.167 1.00 0.00 C ATOM 548 C LEU A 33 3.776 -5.333 -10.126 1.00 0.00 C ATOM 549 O LEU A 33 4.946 -5.607 -9.867 1.00 0.00 O ATOM 550 CB LEU A 33 2.240 -6.883 -8.784 1.00 0.00 C ATOM 551 CG LEU A 33 0.736 -6.781 -8.522 1.00 0.00 C ATOM 552 CD1 LEU A 33 -0.066 -7.234 -9.743 1.00 0.00 C ATOM 553 CD2 LEU A 33 0.345 -7.554 -7.260 1.00 0.00 C ATOM 0 H LEU A 33 3.858 -8.168 -10.413 1.00 0.00 H new ATOM 0 HA LEU A 33 1.835 -6.006 -10.655 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.544 -7.920 -8.639 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.761 -6.290 -8.032 1.00 0.00 H new ATOM 0 HG LEU A 33 0.491 -5.733 -8.347 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.132 -7.151 -9.529 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.183 -6.603 -10.596 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.178 -8.271 -9.975 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.729 -7.465 -7.097 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.608 -8.605 -7.381 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.877 -7.143 -6.402 1.00 0.00 H new ATOM 565 N PRO A 34 3.319 -4.080 -10.391 1.00 0.00 N ATOM 566 CA PRO A 34 4.218 -2.938 -10.386 1.00 0.00 C ATOM 567 C PRO A 34 4.588 -2.538 -8.957 1.00 0.00 C ATOM 568 O PRO A 34 3.710 -2.323 -8.122 1.00 0.00 O ATOM 569 CB PRO A 34 3.471 -1.846 -11.135 1.00 0.00 C ATOM 570 CG PRO A 34 2.008 -2.259 -11.125 1.00 0.00 C ATOM 571 CD PRO A 34 1.939 -3.717 -10.702 1.00 0.00 C ATOM 0 HA PRO A 34 5.172 -3.151 -10.868 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.607 -0.878 -10.652 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.842 -1.748 -12.155 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.440 -1.634 -10.436 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.567 -2.127 -12.113 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.291 -3.847 -9.836 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.535 -4.342 -11.499 1.00 0.00 H new ATOM 579 N ALA A 35 5.888 -2.450 -8.719 1.00 0.00 N ATOM 580 CA ALA A 35 6.385 -2.079 -7.405 1.00 0.00 C ATOM 581 C ALA A 35 7.387 -0.932 -7.548 1.00 0.00 C ATOM 582 O ALA A 35 8.340 -1.028 -8.321 1.00 0.00 O ATOM 583 CB ALA A 35 6.996 -3.306 -6.725 1.00 0.00 C ATOM 0 H ALA A 35 6.613 -2.629 -9.414 1.00 0.00 H new ATOM 0 HA ALA A 35 5.570 -1.727 -6.772 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.369 -3.028 -5.739 1.00 0.00 H new ATOM 0 HB2 ALA A 35 6.236 -4.080 -6.620 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.819 -3.685 -7.330 1.00 0.00 H new ATOM 589 N PRO A 36 7.132 0.155 -6.772 1.00 0.00 N ATOM 590 CA PRO A 36 8.000 1.320 -6.805 1.00 0.00 C ATOM 591 C PRO A 36 9.308 1.050 -6.057 1.00 0.00 C ATOM 592 O PRO A 36 9.292 0.567 -4.926 1.00 0.00 O ATOM 593 CB PRO A 36 7.181 2.439 -6.184 1.00 0.00 C ATOM 594 CG PRO A 36 6.066 1.759 -5.407 1.00 0.00 C ATOM 595 CD PRO A 36 6.013 0.304 -5.846 1.00 0.00 C ATOM 0 HA PRO A 36 8.310 1.585 -7.816 1.00 0.00 H new ATOM 0 HB2 PRO A 36 7.796 3.054 -5.527 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.776 3.099 -6.951 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.251 1.828 -4.335 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.112 2.251 -5.598 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.111 -0.370 -4.995 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.065 0.071 -6.330 1.00 0.00 H new ATOM 603 N GLU A 37 10.409 1.374 -6.720 1.00 0.00 N ATOM 604 CA GLU A 37 11.722 1.172 -6.132 1.00 0.00 C ATOM 605 C GLU A 37 12.305 2.508 -5.664 1.00 0.00 C ATOM 606 O GLU A 37 12.637 3.364 -6.482 1.00 0.00 O ATOM 607 CB GLU A 37 12.664 0.479 -7.118 1.00 0.00 C ATOM 608 CG GLU A 37 13.910 -0.051 -6.406 1.00 0.00 C ATOM 609 CD GLU A 37 15.179 0.306 -7.183 1.00 0.00 C ATOM 610 OE1 GLU A 37 15.509 1.511 -7.207 1.00 0.00 O ATOM 611 OE2 GLU A 37 15.789 -0.635 -7.736 1.00 0.00 O ATOM 0 H GLU A 37 10.418 1.775 -7.658 1.00 0.00 H new ATOM 0 HA GLU A 37 11.614 0.521 -5.265 1.00 0.00 H new ATOM 0 HB2 GLU A 37 12.143 -0.344 -7.607 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.958 1.180 -7.899 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.965 0.368 -5.401 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.838 -1.133 -6.297 1.00 0.00 H new ATOM 618 N ASP A 38 12.410 2.643 -4.351 1.00 0.00 N ATOM 619 CA ASP A 38 12.947 3.860 -3.764 1.00 0.00 C ATOM 620 C ASP A 38 12.118 5.056 -4.235 1.00 0.00 C ATOM 621 O ASP A 38 12.224 5.475 -5.387 1.00 0.00 O ATOM 622 CB ASP A 38 14.396 4.088 -4.200 1.00 0.00 C ATOM 623 CG ASP A 38 14.886 5.533 -4.083 1.00 0.00 C ATOM 624 OD1 ASP A 38 14.300 6.266 -3.257 1.00 0.00 O ATOM 625 OD2 ASP A 38 15.835 5.871 -4.823 1.00 0.00 O ATOM 0 H ASP A 38 12.133 1.930 -3.676 1.00 0.00 H new ATOM 0 HA ASP A 38 12.908 3.758 -2.679 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.045 3.450 -3.600 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.503 3.767 -5.236 1.00 0.00 H new ATOM 630 N VAL A 39 11.311 5.573 -3.320 1.00 0.00 N ATOM 631 CA VAL A 39 10.464 6.713 -3.627 1.00 0.00 C ATOM 632 C VAL A 39 10.862 7.893 -2.738 1.00 0.00 C ATOM 633 O VAL A 39 11.104 7.721 -1.544 1.00 0.00 O ATOM 634 CB VAL A 39 8.991 6.325 -3.482 1.00 0.00 C ATOM 635 CG1 VAL A 39 8.396 5.915 -4.831 1.00 0.00 C ATOM 636 CG2 VAL A 39 8.817 5.214 -2.445 1.00 0.00 C ATOM 0 H VAL A 39 11.226 5.223 -2.366 1.00 0.00 H new ATOM 0 HA VAL A 39 10.604 7.025 -4.662 1.00 0.00 H new ATOM 0 HB VAL A 39 8.447 7.201 -3.129 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.348 5.644 -4.699 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.470 6.748 -5.530 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.945 5.060 -5.226 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.761 4.957 -2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.381 4.335 -2.756 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.185 5.558 -1.478 1.00 0.00 H new ATOM 646 N GLU A 40 10.919 9.064 -3.354 1.00 0.00 N ATOM 647 CA GLU A 40 11.283 10.272 -2.633 1.00 0.00 C ATOM 648 C GLU A 40 10.366 10.466 -1.424 1.00 0.00 C ATOM 649 O GLU A 40 9.289 9.876 -1.357 1.00 0.00 O ATOM 650 CB GLU A 40 11.243 11.493 -3.554 1.00 0.00 C ATOM 651 CG GLU A 40 11.718 12.749 -2.820 1.00 0.00 C ATOM 652 CD GLU A 40 12.187 13.818 -3.810 1.00 0.00 C ATOM 653 OE1 GLU A 40 13.104 13.500 -4.597 1.00 0.00 O ATOM 654 OE2 GLU A 40 11.617 14.929 -3.757 1.00 0.00 O ATOM 0 H GLU A 40 10.719 9.202 -4.345 1.00 0.00 H new ATOM 0 HA GLU A 40 12.306 10.163 -2.273 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.873 11.316 -4.426 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.228 11.644 -3.920 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.908 13.145 -2.208 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.533 12.493 -2.143 1.00 0.00 H new ATOM 661 N THR A 41 10.827 11.295 -0.499 1.00 0.00 N ATOM 662 CA THR A 41 10.062 11.574 0.704 1.00 0.00 C ATOM 663 C THR A 41 8.598 11.847 0.353 1.00 0.00 C ATOM 664 O THR A 41 7.693 11.313 0.992 1.00 0.00 O ATOM 665 CB THR A 41 10.738 12.735 1.436 1.00 0.00 C ATOM 666 OG1 THR A 41 11.447 12.108 2.501 1.00 0.00 O ATOM 667 CG2 THR A 41 9.733 13.646 2.143 1.00 0.00 C ATOM 0 H THR A 41 11.721 11.783 -0.559 1.00 0.00 H new ATOM 0 HA THR A 41 10.049 10.713 1.373 1.00 0.00 H new ATOM 0 HB THR A 41 11.322 13.321 0.726 1.00 0.00 H new ATOM 0 HG1 THR A 41 11.917 12.789 3.027 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.265 14.453 2.647 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.045 14.067 1.410 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.172 13.068 2.877 1.00 0.00 H new ATOM 675 N ASN A 42 8.411 12.678 -0.661 1.00 0.00 N ATOM 676 CA ASN A 42 7.072 13.029 -1.104 1.00 0.00 C ATOM 677 C ASN A 42 6.749 12.266 -2.391 1.00 0.00 C ATOM 678 O ASN A 42 6.216 12.839 -3.340 1.00 0.00 O ATOM 679 CB ASN A 42 6.965 14.525 -1.403 1.00 0.00 C ATOM 680 CG ASN A 42 7.425 15.358 -0.205 1.00 0.00 C ATOM 681 OD1 ASN A 42 8.507 15.922 -0.187 1.00 0.00 O ATOM 682 ND2 ASN A 42 6.547 15.403 0.793 1.00 0.00 N ATOM 0 H ASN A 42 9.164 13.119 -1.189 1.00 0.00 H new ATOM 0 HA ASN A 42 6.375 12.770 -0.307 1.00 0.00 H new ATOM 0 HB2 ASN A 42 7.572 14.769 -2.275 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.934 14.777 -1.651 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.762 15.933 1.638 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.659 14.908 0.714 1.00 0.00 H new ATOM 689 N CYS A 43 7.086 10.984 -2.381 1.00 0.00 N ATOM 690 CA CYS A 43 6.839 10.137 -3.535 1.00 0.00 C ATOM 691 C CYS A 43 5.999 8.941 -3.082 1.00 0.00 C ATOM 692 O CYS A 43 5.062 8.540 -3.770 1.00 0.00 O ATOM 693 CB CYS A 43 8.143 9.698 -4.204 1.00 0.00 C ATOM 694 SG CYS A 43 7.929 8.715 -5.733 1.00 0.00 S ATOM 0 H CYS A 43 7.528 10.512 -1.592 1.00 0.00 H new ATOM 0 HA CYS A 43 6.291 10.699 -4.291 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.731 10.585 -4.439 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.722 9.112 -3.490 1.00 0.00 H new ATOM 699 N GLU A 44 6.365 8.405 -1.927 1.00 0.00 N ATOM 700 CA GLU A 44 5.657 7.263 -1.374 1.00 0.00 C ATOM 701 C GLU A 44 4.160 7.373 -1.670 1.00 0.00 C ATOM 702 O GLU A 44 3.483 6.361 -1.846 1.00 0.00 O ATOM 703 CB GLU A 44 5.911 7.136 0.129 1.00 0.00 C ATOM 704 CG GLU A 44 7.336 6.652 0.406 1.00 0.00 C ATOM 705 CD GLU A 44 8.313 7.828 0.467 1.00 0.00 C ATOM 706 OE1 GLU A 44 7.821 8.977 0.432 1.00 0.00 O ATOM 707 OE2 GLU A 44 9.529 7.552 0.548 1.00 0.00 O ATOM 0 H GLU A 44 7.143 8.741 -1.359 1.00 0.00 H new ATOM 0 HA GLU A 44 6.036 6.359 -1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.751 8.100 0.611 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.195 6.439 0.565 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.361 6.105 1.348 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.646 5.957 -0.375 1.00 0.00 H new ATOM 714 N TRP A 45 3.688 8.610 -1.715 1.00 0.00 N ATOM 715 CA TRP A 45 2.283 8.865 -1.986 1.00 0.00 C ATOM 716 C TRP A 45 2.039 8.625 -3.477 1.00 0.00 C ATOM 717 O TRP A 45 1.200 7.805 -3.849 1.00 0.00 O ATOM 718 CB TRP A 45 1.883 10.270 -1.534 1.00 0.00 C ATOM 719 CG TRP A 45 1.770 10.427 -0.016 1.00 0.00 C ATOM 720 CD1 TRP A 45 2.605 11.069 0.812 1.00 0.00 C ATOM 721 CD2 TRP A 45 0.723 9.902 0.827 1.00 0.00 C ATOM 722 NE1 TRP A 45 2.175 10.997 2.121 1.00 0.00 N ATOM 723 CE2 TRP A 45 0.993 10.265 2.130 1.00 0.00 C ATOM 724 CE3 TRP A 45 -0.416 9.146 0.498 1.00 0.00 C ATOM 725 CZ2 TRP A 45 0.172 9.916 3.210 1.00 0.00 C ATOM 726 CZ3 TRP A 45 -1.227 8.805 1.588 1.00 0.00 C ATOM 727 CH2 TRP A 45 -0.968 9.163 2.906 1.00 0.00 C ATOM 0 H TRP A 45 4.253 9.446 -1.568 1.00 0.00 H new ATOM 0 HA TRP A 45 1.651 8.185 -1.415 1.00 0.00 H new ATOM 0 HB2 TRP A 45 2.616 10.984 -1.909 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.926 10.528 -1.988 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.502 11.579 0.495 1.00 0.00 H new ATOM 0 HE1 TRP A 45 2.639 11.405 2.932 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -0.647 8.852 -0.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.406 10.212 4.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -2.115 8.223 1.391 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -1.644 8.861 3.692 1.00 0.00 H new ATOM 738 N SER A 46 2.786 9.355 -4.292 1.00 0.00 N ATOM 739 CA SER A 46 2.661 9.232 -5.734 1.00 0.00 C ATOM 740 C SER A 46 2.900 7.782 -6.159 1.00 0.00 C ATOM 741 O SER A 46 2.544 7.389 -7.269 1.00 0.00 O ATOM 742 CB SER A 46 3.639 10.163 -6.454 1.00 0.00 C ATOM 743 OG SER A 46 4.187 11.143 -5.576 1.00 0.00 O ATOM 0 H SER A 46 3.480 10.034 -3.981 1.00 0.00 H new ATOM 0 HA SER A 46 1.649 9.524 -6.015 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.446 9.574 -6.889 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.127 10.660 -7.278 1.00 0.00 H new ATOM 0 HG SER A 46 4.807 11.717 -6.072 1.00 0.00 H new ATOM 749 N ALA A 47 3.500 7.025 -5.252 1.00 0.00 N ATOM 750 CA ALA A 47 3.791 5.626 -5.518 1.00 0.00 C ATOM 751 C ALA A 47 2.604 4.770 -5.074 1.00 0.00 C ATOM 752 O ALA A 47 2.342 3.716 -5.653 1.00 0.00 O ATOM 753 CB ALA A 47 5.091 5.232 -4.814 1.00 0.00 C ATOM 0 H ALA A 47 3.793 7.354 -4.332 1.00 0.00 H new ATOM 0 HA ALA A 47 3.936 5.460 -6.585 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.309 4.183 -5.013 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.908 5.850 -5.186 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.983 5.382 -3.740 1.00 0.00 H new ATOM 759 N PHE A 48 1.917 5.253 -4.049 1.00 0.00 N ATOM 760 CA PHE A 48 0.764 4.545 -3.520 1.00 0.00 C ATOM 761 C PHE A 48 -0.228 4.203 -4.634 1.00 0.00 C ATOM 762 O PHE A 48 -1.017 3.268 -4.502 1.00 0.00 O ATOM 763 CB PHE A 48 0.085 5.481 -2.518 1.00 0.00 C ATOM 764 CG PHE A 48 -1.151 4.881 -1.844 1.00 0.00 C ATOM 765 CD1 PHE A 48 -2.286 4.675 -2.565 1.00 0.00 C ATOM 766 CD2 PHE A 48 -1.115 4.554 -0.525 1.00 0.00 C ATOM 767 CE1 PHE A 48 -3.433 4.118 -1.940 1.00 0.00 C ATOM 768 CE2 PHE A 48 -2.261 3.997 0.100 1.00 0.00 C ATOM 769 CZ PHE A 48 -3.396 3.791 -0.620 1.00 0.00 C ATOM 0 H PHE A 48 2.137 6.127 -3.571 1.00 0.00 H new ATOM 0 HA PHE A 48 1.082 3.612 -3.054 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.806 5.759 -1.749 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.203 6.398 -3.031 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.315 4.935 -3.613 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.214 4.718 0.047 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.334 3.954 -2.512 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.232 3.737 1.148 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.268 3.368 -0.144 1.00 0.00 H new ATOM 779 N SER A 49 -0.156 4.979 -5.705 1.00 0.00 N ATOM 780 CA SER A 49 -1.038 4.770 -6.841 1.00 0.00 C ATOM 781 C SER A 49 -0.576 3.553 -7.645 1.00 0.00 C ATOM 782 O SER A 49 -1.347 2.987 -8.419 1.00 0.00 O ATOM 783 CB SER A 49 -1.086 6.010 -7.736 1.00 0.00 C ATOM 784 OG SER A 49 0.187 6.309 -8.303 1.00 0.00 O ATOM 0 H SER A 49 0.499 5.753 -5.810 1.00 0.00 H new ATOM 0 HA SER A 49 -2.044 4.588 -6.464 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.811 5.853 -8.535 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.433 6.864 -7.154 1.00 0.00 H new ATOM 0 HG SER A 49 0.766 6.703 -7.617 1.00 0.00 H new ATOM 790 N CYS A 50 0.679 3.184 -7.433 1.00 0.00 N ATOM 791 CA CYS A 50 1.252 2.044 -8.128 1.00 0.00 C ATOM 792 C CYS A 50 0.589 0.773 -7.593 1.00 0.00 C ATOM 793 O CYS A 50 0.441 -0.207 -8.321 1.00 0.00 O ATOM 794 CB CYS A 50 2.774 2.000 -7.981 1.00 0.00 C ATOM 795 SG CYS A 50 3.671 3.320 -8.876 1.00 0.00 S ATOM 0 H CYS A 50 1.315 3.655 -6.789 1.00 0.00 H new ATOM 0 HA CYS A 50 1.058 2.131 -9.197 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.024 2.064 -6.922 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.131 1.033 -8.335 1.00 0.00 H new ATOM 800 N PHE A 51 0.208 0.831 -6.326 1.00 0.00 N ATOM 801 CA PHE A 51 -0.435 -0.304 -5.685 1.00 0.00 C ATOM 802 C PHE A 51 -1.942 -0.301 -5.951 1.00 0.00 C ATOM 803 O PHE A 51 -2.633 -1.268 -5.634 1.00 0.00 O ATOM 804 CB PHE A 51 -0.194 -0.164 -4.181 1.00 0.00 C ATOM 805 CG PHE A 51 1.274 -0.289 -3.771 1.00 0.00 C ATOM 806 CD1 PHE A 51 1.812 -1.515 -3.533 1.00 0.00 C ATOM 807 CD2 PHE A 51 2.043 0.827 -3.646 1.00 0.00 C ATOM 808 CE1 PHE A 51 3.175 -1.631 -3.153 1.00 0.00 C ATOM 809 CE2 PHE A 51 3.406 0.711 -3.266 1.00 0.00 C ATOM 810 CZ PHE A 51 3.943 -0.515 -3.027 1.00 0.00 C ATOM 0 H PHE A 51 0.332 1.646 -5.725 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.025 -1.235 -6.077 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.571 0.804 -3.852 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.772 -0.926 -3.658 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.202 -2.401 -3.633 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.616 1.801 -3.836 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.602 -2.605 -2.964 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.016 1.597 -3.167 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.980 -0.603 -2.737 1.00 0.00 H new ATOM 820 N GLN A 52 -2.407 0.796 -6.531 1.00 0.00 N ATOM 821 CA GLN A 52 -3.819 0.936 -6.843 1.00 0.00 C ATOM 822 C GLN A 52 -4.149 0.211 -8.149 1.00 0.00 C ATOM 823 O GLN A 52 -5.287 -0.203 -8.363 1.00 0.00 O ATOM 824 CB GLN A 52 -4.219 2.411 -6.918 1.00 0.00 C ATOM 825 CG GLN A 52 -5.283 2.745 -5.871 1.00 0.00 C ATOM 826 CD GLN A 52 -6.498 3.414 -6.517 1.00 0.00 C ATOM 827 OE1 GLN A 52 -6.555 4.620 -6.691 1.00 0.00 O ATOM 828 NE2 GLN A 52 -7.463 2.566 -6.861 1.00 0.00 N ATOM 0 H GLN A 52 -1.831 1.596 -6.793 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.396 0.477 -6.040 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.341 3.038 -6.762 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.600 2.638 -7.914 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.594 1.834 -5.360 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.859 3.406 -5.115 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.350 1.567 -6.687 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.316 2.914 -7.299 1.00 0.00 H new ATOM 837 N LYS A 53 -3.132 0.078 -8.988 1.00 0.00 N ATOM 838 CA LYS A 53 -3.300 -0.591 -10.267 1.00 0.00 C ATOM 839 C LYS A 53 -2.863 -2.051 -10.135 1.00 0.00 C ATOM 840 O LYS A 53 -3.424 -2.931 -10.786 1.00 0.00 O ATOM 841 CB LYS A 53 -2.566 0.173 -11.371 1.00 0.00 C ATOM 842 CG LYS A 53 -2.597 1.681 -11.108 1.00 0.00 C ATOM 843 CD LYS A 53 -4.031 2.212 -11.130 1.00 0.00 C ATOM 844 CE LYS A 53 -4.072 3.662 -11.615 1.00 0.00 C ATOM 845 NZ LYS A 53 -5.167 3.852 -12.592 1.00 0.00 N ATOM 0 H LYS A 53 -2.189 0.422 -8.807 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.350 -0.597 -10.559 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.533 -0.168 -11.429 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.027 -0.041 -12.335 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.141 1.895 -10.141 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.003 2.197 -11.862 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.643 1.589 -11.782 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.462 2.147 -10.131 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.214 4.331 -10.767 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.119 3.925 -12.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.180 4.842 -12.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.015 3.227 -13.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.076 3.621 -12.144 1.00 0.00 H new ATOM 859 N ALA A 54 -1.867 -2.263 -9.288 1.00 0.00 N ATOM 860 CA ALA A 54 -1.348 -3.602 -9.063 1.00 0.00 C ATOM 861 C ALA A 54 -2.511 -4.597 -9.038 1.00 0.00 C ATOM 862 O ALA A 54 -2.518 -5.568 -9.792 1.00 0.00 O ATOM 863 CB ALA A 54 -0.534 -3.623 -7.768 1.00 0.00 C ATOM 0 H ALA A 54 -1.405 -1.530 -8.749 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.680 -3.896 -9.872 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.145 -4.627 -7.599 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.296 -2.921 -7.848 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.172 -3.336 -6.932 1.00 0.00 H new ATOM 869 N GLN A 55 -3.466 -4.320 -8.162 1.00 0.00 N ATOM 870 CA GLN A 55 -4.630 -5.178 -8.028 1.00 0.00 C ATOM 871 C GLN A 55 -4.214 -6.565 -7.533 1.00 0.00 C ATOM 872 O GLN A 55 -3.688 -7.369 -8.300 1.00 0.00 O ATOM 873 CB GLN A 55 -5.395 -5.275 -9.350 1.00 0.00 C ATOM 874 CG GLN A 55 -6.428 -6.402 -9.304 1.00 0.00 C ATOM 875 CD GLN A 55 -7.101 -6.585 -10.666 1.00 0.00 C ATOM 876 OE1 GLN A 55 -8.111 -5.975 -10.976 1.00 0.00 O ATOM 877 NE2 GLN A 55 -6.485 -7.456 -11.461 1.00 0.00 N ATOM 0 H GLN A 55 -3.457 -3.513 -7.538 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.299 -4.736 -7.290 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.894 -4.328 -9.556 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.695 -5.451 -10.167 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.944 -7.332 -9.006 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.182 -6.179 -8.549 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.643 -7.933 -11.139 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.855 -7.647 -12.392 1.00 0.00 H new ATOM 886 N LEU A 56 -4.465 -6.801 -6.253 1.00 0.00 N ATOM 887 CA LEU A 56 -4.123 -8.076 -5.647 1.00 0.00 C ATOM 888 C LEU A 56 -5.166 -9.122 -6.046 1.00 0.00 C ATOM 889 O LEU A 56 -6.366 -8.889 -5.913 1.00 0.00 O ATOM 890 CB LEU A 56 -3.954 -7.922 -4.134 1.00 0.00 C ATOM 891 CG LEU A 56 -3.407 -9.143 -3.392 1.00 0.00 C ATOM 892 CD1 LEU A 56 -4.524 -10.139 -3.076 1.00 0.00 C ATOM 893 CD2 LEU A 56 -2.264 -9.793 -4.175 1.00 0.00 C ATOM 0 H LEU A 56 -4.901 -6.131 -5.620 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.160 -8.428 -6.018 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.288 -7.080 -3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.922 -7.665 -3.705 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.996 -8.808 -2.440 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.108 -10.997 -2.549 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.275 -9.657 -2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.987 -10.473 -4.005 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.893 -10.658 -3.626 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.627 -10.112 -5.152 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.456 -9.073 -4.305 1.00 0.00 H new ATOM 905 N LYS A 57 -4.670 -10.253 -6.526 1.00 0.00 N ATOM 906 CA LYS A 57 -5.544 -11.335 -6.945 1.00 0.00 C ATOM 907 C LYS A 57 -5.059 -12.646 -6.323 1.00 0.00 C ATOM 908 O LYS A 57 -3.857 -12.863 -6.183 1.00 0.00 O ATOM 909 CB LYS A 57 -5.648 -11.380 -8.471 1.00 0.00 C ATOM 910 CG LYS A 57 -7.009 -11.923 -8.912 1.00 0.00 C ATOM 911 CD LYS A 57 -8.088 -10.842 -8.815 1.00 0.00 C ATOM 912 CE LYS A 57 -9.471 -11.420 -9.119 1.00 0.00 C ATOM 913 NZ LYS A 57 -10.448 -10.333 -9.352 1.00 0.00 N ATOM 0 H LYS A 57 -3.674 -10.443 -6.634 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.559 -11.166 -6.584 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.502 -10.380 -8.879 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.854 -12.008 -8.875 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.945 -12.287 -9.938 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.284 -12.774 -8.289 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.083 -10.407 -7.816 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.865 -10.036 -9.514 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.418 -12.063 -9.997 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.802 -12.042 -8.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.381 -10.743 -9.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.511 -9.735 -8.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.139 -9.756 -10.160 1.00 0.00 H new ATOM 927 N SER A 58 -6.020 -13.486 -5.968 1.00 0.00 N ATOM 928 CA SER A 58 -5.706 -14.770 -5.364 1.00 0.00 C ATOM 929 C SER A 58 -5.424 -15.806 -6.454 1.00 0.00 C ATOM 930 O SER A 58 -5.818 -15.624 -7.605 1.00 0.00 O ATOM 931 CB SER A 58 -6.845 -15.247 -4.461 1.00 0.00 C ATOM 932 OG SER A 58 -6.539 -15.076 -3.080 1.00 0.00 O ATOM 0 H SER A 58 -7.016 -13.303 -6.087 1.00 0.00 H new ATOM 0 HA SER A 58 -4.816 -14.649 -4.747 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.754 -14.695 -4.702 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.049 -16.299 -4.660 1.00 0.00 H new ATOM 0 HG SER A 58 -5.871 -15.740 -2.808 1.00 0.00 H new ATOM 938 N ALA A 59 -4.744 -16.870 -6.053 1.00 0.00 N ATOM 939 CA ALA A 59 -4.404 -17.935 -6.982 1.00 0.00 C ATOM 940 C ALA A 59 -5.568 -18.151 -7.951 1.00 0.00 C ATOM 941 O ALA A 59 -5.443 -17.885 -9.145 1.00 0.00 O ATOM 942 CB ALA A 59 -4.054 -19.202 -6.199 1.00 0.00 C ATOM 0 H ALA A 59 -4.419 -17.018 -5.097 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.529 -17.665 -7.573 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.799 -20.001 -6.895 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.203 -19.003 -5.547 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.910 -19.505 -5.596 1.00 0.00 H new ATOM 948 N ASN A 60 -6.674 -18.630 -7.400 1.00 0.00 N ATOM 949 CA ASN A 60 -7.859 -18.885 -8.201 1.00 0.00 C ATOM 950 C ASN A 60 -8.706 -19.964 -7.523 1.00 0.00 C ATOM 951 O ASN A 60 -9.905 -19.780 -7.320 1.00 0.00 O ATOM 952 CB ASN A 60 -7.483 -19.387 -9.597 1.00 0.00 C ATOM 953 CG ASN A 60 -7.600 -18.267 -10.633 1.00 0.00 C ATOM 954 OD1 ASN A 60 -8.256 -17.260 -10.424 1.00 0.00 O ATOM 955 ND2 ASN A 60 -6.929 -18.499 -11.757 1.00 0.00 N ATOM 0 H ASN A 60 -6.774 -18.848 -6.409 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.412 -17.950 -8.291 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.463 -19.772 -9.586 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.134 -20.215 -9.877 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.943 -17.812 -12.511 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.400 -19.364 -11.866 1.00 0.00 H new ATOM 962 N THR A 61 -8.048 -21.065 -7.190 1.00 0.00 N ATOM 963 CA THR A 61 -8.725 -22.173 -6.539 1.00 0.00 C ATOM 964 C THR A 61 -8.601 -22.055 -5.019 1.00 0.00 C ATOM 965 O THR A 61 -9.322 -22.723 -4.279 1.00 0.00 O ATOM 966 CB THR A 61 -8.146 -23.475 -7.096 1.00 0.00 C ATOM 967 OG1 THR A 61 -8.554 -24.466 -6.158 1.00 0.00 O ATOM 968 CG2 THR A 61 -6.618 -23.509 -7.034 1.00 0.00 C ATOM 0 H THR A 61 -7.053 -21.213 -7.359 1.00 0.00 H new ATOM 0 HA THR A 61 -9.795 -22.160 -6.749 1.00 0.00 H new ATOM 0 HB THR A 61 -8.470 -23.604 -8.129 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.202 -24.078 -5.534 1.00 0.00 H new ATOM 0 HG21 THR A 61 -6.258 -24.454 -7.441 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.212 -22.684 -7.619 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.294 -23.414 -5.998 1.00 0.00 H new ATOM 976 N GLY A 62 -7.682 -21.198 -4.597 1.00 0.00 N ATOM 977 CA GLY A 62 -7.454 -20.983 -3.178 1.00 0.00 C ATOM 978 C GLY A 62 -8.765 -20.670 -2.454 1.00 0.00 C ATOM 979 O GLY A 62 -9.635 -19.994 -3.001 1.00 0.00 O ATOM 0 H GLY A 62 -7.087 -20.644 -5.213 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.996 -21.870 -2.741 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.752 -20.161 -3.039 1.00 0.00 H new ATOM 983 N ASN A 63 -8.865 -21.177 -1.234 1.00 0.00 N ATOM 984 CA ASN A 63 -10.055 -20.960 -0.429 1.00 0.00 C ATOM 985 C ASN A 63 -10.101 -19.499 0.022 1.00 0.00 C ATOM 986 O ASN A 63 -11.143 -18.851 -0.067 1.00 0.00 O ATOM 987 CB ASN A 63 -10.041 -21.840 0.823 1.00 0.00 C ATOM 988 CG ASN A 63 -11.367 -22.587 0.983 1.00 0.00 C ATOM 989 OD1 ASN A 63 -12.199 -22.626 0.091 1.00 0.00 O ATOM 990 ND2 ASN A 63 -11.518 -23.175 2.166 1.00 0.00 N ATOM 0 H ASN A 63 -8.142 -21.737 -0.783 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.924 -21.211 -1.037 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -9.222 -22.556 0.760 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.858 -21.224 1.703 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -12.370 -23.698 2.371 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -10.782 -23.103 2.869 1.00 0.00 H new ATOM 997 N ASN A 64 -8.959 -19.022 0.495 1.00 0.00 N ATOM 998 CA ASN A 64 -8.856 -17.649 0.960 1.00 0.00 C ATOM 999 C ASN A 64 -9.167 -16.699 -0.198 1.00 0.00 C ATOM 1000 O ASN A 64 -9.405 -15.511 0.015 1.00 0.00 O ATOM 1001 CB ASN A 64 -7.443 -17.341 1.458 1.00 0.00 C ATOM 1002 CG ASN A 64 -6.878 -18.512 2.265 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -5.783 -18.993 2.026 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -7.685 -18.942 3.231 1.00 0.00 N ATOM 0 H ASN A 64 -8.097 -19.562 0.566 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.564 -17.516 1.778 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -6.792 -17.132 0.609 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.459 -16.443 2.076 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.399 -19.720 3.826 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.589 -18.494 3.377 1.00 0.00 H new ATOM 1011 N GLU A 65 -9.154 -17.258 -1.400 1.00 0.00 N ATOM 1012 CA GLU A 65 -9.432 -16.475 -2.592 1.00 0.00 C ATOM 1013 C GLU A 65 -10.496 -15.416 -2.296 1.00 0.00 C ATOM 1014 O GLU A 65 -10.380 -14.274 -2.738 1.00 0.00 O ATOM 1015 CB GLU A 65 -9.862 -17.375 -3.751 1.00 0.00 C ATOM 1016 CG GLU A 65 -10.148 -16.551 -5.008 1.00 0.00 C ATOM 1017 CD GLU A 65 -11.499 -15.841 -4.902 1.00 0.00 C ATOM 1018 OE1 GLU A 65 -12.494 -16.550 -4.637 1.00 0.00 O ATOM 1019 OE2 GLU A 65 -11.506 -14.605 -5.088 1.00 0.00 O ATOM 0 H GLU A 65 -8.955 -18.243 -1.573 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.515 -15.967 -2.891 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.079 -18.104 -3.960 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.753 -17.936 -3.469 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.357 -15.815 -5.153 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.142 -17.201 -5.883 1.00 0.00 H new ATOM 1026 N ARG A 66 -11.508 -15.833 -1.550 1.00 0.00 N ATOM 1027 CA ARG A 66 -12.592 -14.935 -1.190 1.00 0.00 C ATOM 1028 C ARG A 66 -12.128 -13.947 -0.117 1.00 0.00 C ATOM 1029 O ARG A 66 -12.181 -12.735 -0.321 1.00 0.00 O ATOM 1030 CB ARG A 66 -13.802 -15.713 -0.668 1.00 0.00 C ATOM 1031 CG ARG A 66 -14.974 -14.774 -0.377 1.00 0.00 C ATOM 1032 CD ARG A 66 -15.667 -14.345 -1.672 1.00 0.00 C ATOM 1033 NE ARG A 66 -17.124 -14.589 -1.571 1.00 0.00 N ATOM 1034 CZ ARG A 66 -17.706 -15.772 -1.813 1.00 0.00 C ATOM 1035 NH1 ARG A 66 -16.959 -16.825 -2.172 1.00 0.00 N ATOM 1036 NH2 ARG A 66 -19.034 -15.901 -1.696 1.00 0.00 N ATOM 0 H ARG A 66 -11.600 -16.781 -1.185 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.884 -14.391 -2.088 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -14.103 -16.459 -1.403 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -13.529 -16.251 0.240 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.691 -15.273 0.275 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.616 -13.894 0.157 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -15.479 -13.288 -1.862 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -15.255 -14.899 -2.516 1.00 0.00 H new ATOM 0 HE ARG A 66 -17.722 -13.808 -1.300 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.948 -16.726 -2.261 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -17.402 -17.725 -2.356 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -19.602 -15.099 -1.423 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -19.477 -16.801 -1.880 1.00 0.00 H new ATOM 1050 N ILE A 67 -11.685 -14.501 1.001 1.00 0.00 N ATOM 1051 CA ILE A 67 -11.213 -13.684 2.106 1.00 0.00 C ATOM 1052 C ILE A 67 -10.148 -12.711 1.596 1.00 0.00 C ATOM 1053 O ILE A 67 -9.888 -11.686 2.223 1.00 0.00 O ATOM 1054 CB ILE A 67 -10.736 -14.568 3.260 1.00 0.00 C ATOM 1055 CG1 ILE A 67 -11.102 -13.950 4.611 1.00 0.00 C ATOM 1056 CG2 ILE A 67 -9.237 -14.854 3.149 1.00 0.00 C ATOM 1057 CD1 ILE A 67 -9.923 -13.169 5.195 1.00 0.00 C ATOM 0 H ILE A 67 -11.643 -15.507 1.166 1.00 0.00 H new ATOM 0 HA ILE A 67 -12.027 -13.083 2.511 1.00 0.00 H new ATOM 0 HB ILE A 67 -11.252 -15.525 3.192 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.958 -13.287 4.491 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -11.402 -14.735 5.305 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.924 -15.484 3.982 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -9.033 -15.367 2.209 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.684 -13.915 3.177 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -10.210 -12.740 6.155 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.076 -13.840 5.336 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -9.641 -12.369 4.510 1.00 0.00 H new ATOM 1069 N ILE A 68 -9.562 -13.067 0.462 1.00 0.00 N ATOM 1070 CA ILE A 68 -8.531 -12.238 -0.140 1.00 0.00 C ATOM 1071 C ILE A 68 -9.190 -11.142 -0.981 1.00 0.00 C ATOM 1072 O ILE A 68 -8.637 -10.054 -1.133 1.00 0.00 O ATOM 1073 CB ILE A 68 -7.539 -13.100 -0.922 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -6.262 -13.337 -0.113 1.00 0.00 C ATOM 1075 CG2 ILE A 68 -7.243 -12.489 -2.293 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -6.412 -14.553 0.804 1.00 0.00 C ATOM 0 H ILE A 68 -9.781 -13.918 -0.056 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.945 -11.739 0.632 1.00 0.00 H new ATOM 0 HB ILE A 68 -7.996 -14.074 -1.095 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.421 -13.489 -0.790 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.036 -12.453 0.483 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.535 -13.122 -2.828 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -8.168 -12.414 -2.865 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.815 -11.495 -2.164 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.491 -14.699 1.368 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.238 -14.387 1.496 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.614 -15.439 0.203 1.00 0.00 H new ATOM 1088 N ASN A 69 -10.363 -11.468 -1.504 1.00 0.00 N ATOM 1089 CA ASN A 69 -11.103 -10.526 -2.326 1.00 0.00 C ATOM 1090 C ASN A 69 -11.732 -9.458 -1.429 1.00 0.00 C ATOM 1091 O ASN A 69 -12.339 -8.507 -1.920 1.00 0.00 O ATOM 1092 CB ASN A 69 -12.230 -11.226 -3.088 1.00 0.00 C ATOM 1093 CG ASN A 69 -12.439 -10.590 -4.464 1.00 0.00 C ATOM 1094 OD1 ASN A 69 -11.509 -10.374 -5.224 1.00 0.00 O ATOM 1095 ND2 ASN A 69 -13.708 -10.304 -4.741 1.00 0.00 N ATOM 0 H ASN A 69 -10.819 -12.371 -1.374 1.00 0.00 H new ATOM 0 HA ASN A 69 -10.408 -10.082 -3.038 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -11.993 -12.284 -3.204 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -13.154 -11.168 -2.512 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -13.951 -9.878 -5.635 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -14.438 -10.511 -4.059 1.00 0.00 H new ATOM 1102 N VAL A 70 -11.566 -9.650 -0.128 1.00 0.00 N ATOM 1103 CA VAL A 70 -12.109 -8.715 0.842 1.00 0.00 C ATOM 1104 C VAL A 70 -11.178 -7.507 0.957 1.00 0.00 C ATOM 1105 O VAL A 70 -11.634 -6.384 1.164 1.00 0.00 O ATOM 1106 CB VAL A 70 -12.339 -9.423 2.179 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -12.979 -10.797 1.969 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -11.034 -9.541 2.968 1.00 0.00 C ATOM 0 H VAL A 70 -11.063 -10.440 0.276 1.00 0.00 H new ATOM 0 HA VAL A 70 -13.081 -8.345 0.514 1.00 0.00 H new ATOM 0 HB VAL A 70 -13.031 -8.817 2.764 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.132 -11.279 2.935 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.939 -10.678 1.467 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -12.323 -11.414 1.355 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -11.225 -10.048 3.914 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.309 -10.114 2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.636 -8.545 3.164 1.00 0.00 H new ATOM 1118 N SER A 71 -9.888 -7.779 0.819 1.00 0.00 N ATOM 1119 CA SER A 71 -8.888 -6.728 0.905 1.00 0.00 C ATOM 1120 C SER A 71 -8.898 -5.891 -0.376 1.00 0.00 C ATOM 1121 O SER A 71 -8.302 -4.816 -0.423 1.00 0.00 O ATOM 1122 CB SER A 71 -7.495 -7.312 1.146 1.00 0.00 C ATOM 1123 OG SER A 71 -7.245 -7.542 2.530 1.00 0.00 O ATOM 0 H SER A 71 -9.513 -8.712 0.648 1.00 0.00 H new ATOM 0 HA SER A 71 -9.136 -6.088 1.752 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.395 -8.249 0.599 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.742 -6.630 0.750 1.00 0.00 H new ATOM 0 HG SER A 71 -6.346 -7.917 2.642 1.00 0.00 H new ATOM 1129 N ILE A 72 -9.582 -6.414 -1.382 1.00 0.00 N ATOM 1130 CA ILE A 72 -9.677 -5.728 -2.660 1.00 0.00 C ATOM 1131 C ILE A 72 -10.450 -4.421 -2.475 1.00 0.00 C ATOM 1132 O ILE A 72 -9.957 -3.349 -2.824 1.00 0.00 O ATOM 1133 CB ILE A 72 -10.276 -6.653 -3.721 1.00 0.00 C ATOM 1134 CG1 ILE A 72 -9.540 -7.994 -3.759 1.00 0.00 C ATOM 1135 CG2 ILE A 72 -10.298 -5.972 -5.091 1.00 0.00 C ATOM 1136 CD1 ILE A 72 -8.140 -7.834 -4.354 1.00 0.00 C ATOM 0 H ILE A 72 -10.076 -7.305 -1.339 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.685 -5.463 -3.026 1.00 0.00 H new ATOM 0 HB ILE A 72 -11.310 -6.862 -3.448 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.466 -8.401 -2.751 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.111 -8.710 -4.351 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -10.728 -6.650 -5.828 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.901 -5.065 -5.037 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.281 -5.714 -5.386 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.638 -8.802 -4.369 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.219 -7.450 -5.371 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.564 -7.136 -3.746 1.00 0.00 H new ATOM 1148 N LYS A 73 -11.649 -4.552 -1.927 1.00 0.00 N ATOM 1149 CA LYS A 73 -12.495 -3.395 -1.691 1.00 0.00 C ATOM 1150 C LYS A 73 -11.648 -2.257 -1.118 1.00 0.00 C ATOM 1151 O LYS A 73 -11.621 -1.159 -1.671 1.00 0.00 O ATOM 1152 CB LYS A 73 -13.690 -3.774 -0.814 1.00 0.00 C ATOM 1153 CG LYS A 73 -14.952 -3.963 -1.659 1.00 0.00 C ATOM 1154 CD LYS A 73 -15.864 -5.031 -1.051 1.00 0.00 C ATOM 1155 CE LYS A 73 -17.214 -5.073 -1.771 1.00 0.00 C ATOM 1156 NZ LYS A 73 -18.301 -4.653 -0.858 1.00 0.00 N ATOM 0 H LYS A 73 -12.055 -5.443 -1.639 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.919 -3.036 -2.629 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.470 -4.693 -0.271 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.860 -2.997 -0.069 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.490 -3.018 -1.731 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.675 -4.251 -2.673 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.382 -6.006 -1.117 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -16.019 -4.823 0.008 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -17.189 -4.418 -2.642 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -17.407 -6.082 -2.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -19.210 -4.687 -1.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -18.334 -5.294 -0.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -18.123 -3.682 -0.530 1.00 0.00 H new ATOM 1170 N LYS A 74 -10.977 -2.559 -0.016 1.00 0.00 N ATOM 1171 CA LYS A 74 -10.131 -1.576 0.638 1.00 0.00 C ATOM 1172 C LYS A 74 -8.939 -1.253 -0.265 1.00 0.00 C ATOM 1173 O LYS A 74 -8.728 -0.099 -0.632 1.00 0.00 O ATOM 1174 CB LYS A 74 -9.733 -2.056 2.035 1.00 0.00 C ATOM 1175 CG LYS A 74 -10.561 -1.354 3.113 1.00 0.00 C ATOM 1176 CD LYS A 74 -11.954 -1.976 3.227 1.00 0.00 C ATOM 1177 CE LYS A 74 -12.529 -1.782 4.631 1.00 0.00 C ATOM 1178 NZ LYS A 74 -13.476 -0.645 4.650 1.00 0.00 N ATOM 0 H LYS A 74 -11.002 -3.471 0.440 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.677 -0.645 0.790 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.875 -3.134 2.107 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.673 -1.862 2.202 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.049 -1.423 4.073 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.651 -0.294 2.875 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.619 -1.523 2.492 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.901 -3.040 2.996 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.037 -2.692 4.951 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.721 -1.602 5.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.857 -0.527 5.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.981 0.224 4.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.256 -0.832 3.988 1.00 0.00 H new ATOM 1192 N LEU A 75 -8.190 -2.295 -0.596 1.00 0.00 N ATOM 1193 CA LEU A 75 -7.024 -2.137 -1.449 1.00 0.00 C ATOM 1194 C LEU A 75 -7.378 -1.226 -2.626 1.00 0.00 C ATOM 1195 O LEU A 75 -6.506 -0.566 -3.189 1.00 0.00 O ATOM 1196 CB LEU A 75 -6.480 -3.504 -1.871 1.00 0.00 C ATOM 1197 CG LEU A 75 -5.377 -3.488 -2.931 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -4.050 -3.978 -2.349 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -5.792 -4.291 -4.166 1.00 0.00 C ATOM 0 H LEU A 75 -8.368 -3.251 -0.289 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.215 -1.652 -0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.098 -4.010 -0.985 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.309 -4.103 -2.247 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.227 -2.457 -3.252 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.283 -3.957 -3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.752 -3.329 -1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.168 -4.998 -1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.990 -4.264 -4.904 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.986 -5.325 -3.880 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.695 -3.858 -4.595 1.00 0.00 H new ATOM 1211 N LYS A 76 -8.659 -1.220 -2.963 1.00 0.00 N ATOM 1212 CA LYS A 76 -9.139 -0.401 -4.063 1.00 0.00 C ATOM 1213 C LYS A 76 -9.439 1.009 -3.551 1.00 0.00 C ATOM 1214 O LYS A 76 -10.493 1.570 -3.846 1.00 0.00 O ATOM 1215 CB LYS A 76 -10.330 -1.071 -4.751 1.00 0.00 C ATOM 1216 CG LYS A 76 -9.874 -1.894 -5.958 1.00 0.00 C ATOM 1217 CD LYS A 76 -10.875 -1.778 -7.110 1.00 0.00 C ATOM 1218 CE LYS A 76 -11.720 -3.047 -7.232 1.00 0.00 C ATOM 1219 NZ LYS A 76 -10.926 -4.142 -7.833 1.00 0.00 N ATOM 0 H LYS A 76 -9.379 -1.769 -2.494 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.370 -0.306 -4.830 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.849 -1.716 -4.042 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.043 -0.312 -5.072 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.893 -1.551 -6.287 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.765 -2.940 -5.670 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.525 -0.918 -6.946 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.341 -1.601 -8.044 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.079 -3.348 -6.248 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.599 -2.848 -7.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.243 -5.054 -7.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.057 -4.140 -8.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.919 -4.003 -7.612 1.00 0.00 H new ATOM 1233 N ARG A 77 -8.493 1.542 -2.791 1.00 0.00 N ATOM 1234 CA ARG A 77 -8.643 2.876 -2.235 1.00 0.00 C ATOM 1235 C ARG A 77 -7.842 3.887 -3.057 1.00 0.00 C ATOM 1236 O ARG A 77 -6.966 3.508 -3.832 1.00 0.00 O ATOM 1237 CB ARG A 77 -8.168 2.922 -0.781 1.00 0.00 C ATOM 1238 CG ARG A 77 -6.641 2.888 -0.701 1.00 0.00 C ATOM 1239 CD ARG A 77 -6.169 1.846 0.316 1.00 0.00 C ATOM 1240 NE ARG A 77 -5.491 0.730 -0.381 1.00 0.00 N ATOM 1241 CZ ARG A 77 -4.613 -0.097 0.202 1.00 0.00 C ATOM 1242 NH1 ARG A 77 -4.300 0.061 1.496 1.00 0.00 N ATOM 1243 NH2 ARG A 77 -4.046 -1.082 -0.508 1.00 0.00 N ATOM 0 H ARG A 77 -7.620 1.074 -2.547 1.00 0.00 H new ATOM 0 HA ARG A 77 -9.702 3.132 -2.269 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -8.541 3.827 -0.302 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -8.583 2.077 -0.232 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.227 2.657 -1.682 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -6.266 3.872 -0.420 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.488 2.306 1.031 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.019 1.468 0.884 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.706 0.581 -1.367 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.730 0.811 2.037 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.631 -0.569 1.940 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.283 -1.202 -1.493 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.378 -1.711 -0.064 1.00 0.00 H new ATOM 1257 N LYS A 78 -8.172 5.155 -2.861 1.00 0.00 N ATOM 1258 CA LYS A 78 -7.495 6.224 -3.575 1.00 0.00 C ATOM 1259 C LYS A 78 -6.562 6.963 -2.614 1.00 0.00 C ATOM 1260 O LYS A 78 -6.809 7.002 -1.410 1.00 0.00 O ATOM 1261 CB LYS A 78 -8.512 7.135 -4.266 1.00 0.00 C ATOM 1262 CG LYS A 78 -8.908 6.577 -5.634 1.00 0.00 C ATOM 1263 CD LYS A 78 -8.281 7.396 -6.764 1.00 0.00 C ATOM 1264 CE LYS A 78 -9.191 7.423 -7.993 1.00 0.00 C ATOM 1265 NZ LYS A 78 -10.072 8.612 -7.961 1.00 0.00 N ATOM 0 H LYS A 78 -8.900 5.466 -2.218 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.874 5.815 -4.372 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.399 7.236 -3.640 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.090 8.133 -4.385 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.588 5.538 -5.713 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.993 6.585 -5.733 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.097 8.414 -6.421 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.314 6.971 -7.033 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.587 7.436 -8.900 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.795 6.516 -8.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.683 8.614 -8.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.662 8.584 -7.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.491 9.474 -7.953 1.00 0.00 H new ATOM 1279 N PRO A 79 -5.479 7.545 -3.197 1.00 0.00 N ATOM 1280 CA PRO A 79 -4.508 8.279 -2.406 1.00 0.00 C ATOM 1281 C PRO A 79 -5.060 9.644 -1.988 1.00 0.00 C ATOM 1282 O PRO A 79 -5.329 10.494 -2.835 1.00 0.00 O ATOM 1283 CB PRO A 79 -3.276 8.383 -3.291 1.00 0.00 C ATOM 1284 CG PRO A 79 -3.758 8.113 -4.707 1.00 0.00 C ATOM 1285 CD PRO A 79 -5.154 7.518 -4.620 1.00 0.00 C ATOM 0 HA PRO A 79 -4.267 7.779 -1.468 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -2.822 9.371 -3.214 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.518 7.660 -2.992 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -3.772 9.035 -5.288 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -3.082 7.426 -5.216 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -5.870 8.100 -5.201 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -5.177 6.501 -5.012 1.00 0.00 H new ATOM 1293 N PRO A 80 -5.216 9.815 -0.648 1.00 0.00 N ATOM 1294 CA PRO A 80 -5.731 11.062 -0.108 1.00 0.00 C ATOM 1295 C PRO A 80 -4.669 12.162 -0.159 1.00 0.00 C ATOM 1296 O PRO A 80 -3.553 11.931 -0.623 1.00 0.00 O ATOM 1297 CB PRO A 80 -6.169 10.725 1.308 1.00 0.00 C ATOM 1298 CG PRO A 80 -5.461 9.429 1.667 1.00 0.00 C ATOM 1299 CD PRO A 80 -4.907 8.830 0.385 1.00 0.00 C ATOM 0 HA PRO A 80 -6.566 11.458 -0.686 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -5.899 11.522 2.000 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.251 10.607 1.364 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.657 9.618 2.379 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -6.153 8.735 2.144 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.833 8.658 0.460 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -5.369 7.868 0.165 1.00 0.00 H new ATOM 1307 N SER A 81 -5.054 13.335 0.323 1.00 0.00 N ATOM 1308 CA SER A 81 -4.149 14.471 0.337 1.00 0.00 C ATOM 1309 C SER A 81 -3.747 14.839 -1.093 1.00 0.00 C ATOM 1310 O SER A 81 -4.354 15.715 -1.706 1.00 0.00 O ATOM 1311 CB SER A 81 -2.905 14.175 1.178 1.00 0.00 C ATOM 1312 OG SER A 81 -1.943 15.222 1.095 1.00 0.00 O ATOM 0 H SER A 81 -5.980 13.523 0.707 1.00 0.00 H new ATOM 0 HA SER A 81 -4.669 15.315 0.790 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.196 14.032 2.219 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.454 13.241 0.842 1.00 0.00 H new ATOM 0 HG SER A 81 -1.165 14.996 1.647 1.00 0.00 H new ATOM 1318 N THR A 82 -2.727 14.149 -1.582 1.00 0.00 N ATOM 1319 CA THR A 82 -2.237 14.392 -2.929 1.00 0.00 C ATOM 1320 C THR A 82 -2.285 13.105 -3.754 1.00 0.00 C ATOM 1321 O THR A 82 -1.262 12.452 -3.953 1.00 0.00 O ATOM 1322 CB THR A 82 -0.834 14.992 -2.820 1.00 0.00 C ATOM 1323 OG1 THR A 82 -0.475 15.283 -4.169 1.00 0.00 O ATOM 1324 CG2 THR A 82 0.208 13.966 -2.370 1.00 0.00 C ATOM 0 H THR A 82 -2.227 13.422 -1.070 1.00 0.00 H new ATOM 0 HA THR A 82 -2.871 15.104 -3.458 1.00 0.00 H new ATOM 0 HB THR A 82 -0.849 15.826 -2.118 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.422 15.677 -4.191 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.186 14.443 -2.309 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.066 13.574 -1.391 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.248 13.148 -3.090 1.00 0.00 H new ATOM 1332 N ASN A 83 -3.485 12.779 -4.213 1.00 0.00 N ATOM 1333 CA ASN A 83 -3.680 11.581 -5.012 1.00 0.00 C ATOM 1334 C ASN A 83 -2.514 11.431 -5.992 1.00 0.00 C ATOM 1335 O ASN A 83 -1.953 10.346 -6.132 1.00 0.00 O ATOM 1336 CB ASN A 83 -4.973 11.666 -5.826 1.00 0.00 C ATOM 1337 CG ASN A 83 -6.142 12.123 -4.951 1.00 0.00 C ATOM 1338 OD1 ASN A 83 -6.181 13.236 -4.453 1.00 0.00 O ATOM 1339 ND2 ASN A 83 -7.090 11.203 -4.792 1.00 0.00 N ATOM 0 H ASN A 83 -4.331 13.323 -4.047 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.736 10.729 -4.334 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -4.840 12.362 -6.655 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.198 10.692 -6.261 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.912 11.410 -4.225 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.995 10.290 -5.237 1.00 0.00 H new ATOM 1346 N ALA A 84 -2.185 12.537 -6.643 1.00 0.00 N ATOM 1347 CA ALA A 84 -1.096 12.542 -7.606 1.00 0.00 C ATOM 1348 C ALA A 84 -1.497 11.712 -8.827 1.00 0.00 C ATOM 1349 O ALA A 84 -2.495 10.995 -8.794 1.00 0.00 O ATOM 1350 CB ALA A 84 0.178 12.020 -6.938 1.00 0.00 C ATOM 0 H ALA A 84 -2.653 13.435 -6.523 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.892 13.556 -7.950 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.995 12.024 -7.660 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.436 12.661 -6.095 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.012 11.003 -6.583 1.00 0.00 H new ATOM 1356 N GLY A 85 -0.697 11.837 -9.876 1.00 0.00 N ATOM 1357 CA GLY A 85 -0.955 11.108 -11.105 1.00 0.00 C ATOM 1358 C GLY A 85 -1.630 12.006 -12.144 1.00 0.00 C ATOM 1359 O GLY A 85 -2.851 11.984 -12.290 1.00 0.00 O ATOM 0 H GLY A 85 0.131 12.433 -9.899 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.018 10.722 -11.507 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.590 10.248 -10.895 1.00 0.00 H new ATOM 1363 N ARG A 86 -0.805 12.775 -12.840 1.00 0.00 N ATOM 1364 CA ARG A 86 -1.306 13.679 -13.861 1.00 0.00 C ATOM 1365 C ARG A 86 -0.147 14.251 -14.679 1.00 0.00 C ATOM 1366 O ARG A 86 0.372 15.320 -14.363 1.00 0.00 O ATOM 1367 CB ARG A 86 -2.098 14.830 -13.237 1.00 0.00 C ATOM 1368 CG ARG A 86 -3.557 14.804 -13.696 1.00 0.00 C ATOM 1369 CD ARG A 86 -4.179 16.200 -13.624 1.00 0.00 C ATOM 1370 NE ARG A 86 -5.551 16.172 -14.180 1.00 0.00 N ATOM 1371 CZ ARG A 86 -6.625 15.736 -13.507 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -6.493 15.289 -12.251 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -7.831 15.747 -14.091 1.00 0.00 N ATOM 0 H ARG A 86 0.207 12.790 -12.717 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.968 13.109 -14.513 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.054 14.759 -12.150 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.643 15.781 -13.513 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.614 14.429 -14.718 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.126 14.116 -13.071 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.204 16.543 -12.590 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.566 16.909 -14.181 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.687 16.505 -15.134 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.575 15.280 -11.807 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.311 14.957 -11.739 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -7.931 16.087 -15.047 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -8.649 15.415 -13.579 1.00 0.00 H new ATOM 1387 N ARG A 87 0.225 13.514 -15.715 1.00 0.00 N ATOM 1388 CA ARG A 87 1.313 13.934 -16.581 1.00 0.00 C ATOM 1389 C ARG A 87 2.414 14.608 -15.760 1.00 0.00 C ATOM 1390 O ARG A 87 2.527 15.833 -15.753 1.00 0.00 O ATOM 1391 CB ARG A 87 0.819 14.906 -17.654 1.00 0.00 C ATOM 1392 CG ARG A 87 -0.200 15.890 -17.075 1.00 0.00 C ATOM 1393 CD ARG A 87 -0.670 16.883 -18.141 1.00 0.00 C ATOM 1394 NE ARG A 87 -0.824 18.229 -17.545 1.00 0.00 N ATOM 1395 CZ ARG A 87 -1.311 19.290 -18.203 1.00 0.00 C ATOM 1396 NH1 ARG A 87 -1.694 19.168 -19.481 1.00 0.00 N ATOM 1397 NH2 ARG A 87 -1.415 20.473 -17.582 1.00 0.00 N ATOM 0 H ARG A 87 -0.208 12.628 -15.974 1.00 0.00 H new ATOM 0 HA ARG A 87 1.711 13.044 -17.069 1.00 0.00 H new ATOM 0 HB2 ARG A 87 1.664 15.455 -18.070 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.366 14.349 -18.474 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.056 15.343 -16.680 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.245 16.431 -16.240 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.049 16.919 -18.959 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.619 16.553 -18.565 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.542 18.357 -16.573 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.615 18.267 -19.953 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.065 19.976 -19.982 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.124 20.566 -16.609 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.786 21.281 -18.082 1.00 0.00 H new ATOM 1411 N GLN A 88 3.199 13.779 -15.088 1.00 0.00 N ATOM 1412 CA GLN A 88 4.287 14.280 -14.266 1.00 0.00 C ATOM 1413 C GLN A 88 3.767 14.681 -12.884 1.00 0.00 C ATOM 1414 O GLN A 88 2.573 14.920 -12.711 1.00 0.00 O ATOM 1415 CB GLN A 88 4.995 15.453 -14.947 1.00 0.00 C ATOM 1416 CG GLN A 88 6.515 15.302 -14.859 1.00 0.00 C ATOM 1417 CD GLN A 88 7.221 16.545 -15.405 1.00 0.00 C ATOM 1418 OE1 GLN A 88 7.482 17.504 -14.698 1.00 0.00 O ATOM 1419 NE2 GLN A 88 7.515 16.474 -16.700 1.00 0.00 N ATOM 0 H GLN A 88 3.103 12.764 -15.096 1.00 0.00 H new ATOM 0 HA GLN A 88 5.018 13.481 -14.140 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.691 15.508 -15.992 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.691 16.388 -14.477 1.00 0.00 H new ATOM 0 HG2 GLN A 88 6.809 15.138 -13.822 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.830 14.423 -15.422 1.00 0.00 H new ATOM 0 HE21 GLN A 88 7.268 15.641 -17.234 1.00 0.00 H new ATOM 0 HE22 GLN A 88 7.987 17.253 -17.159 1.00 0.00 H new ATOM 1428 N LYS A 89 4.690 14.743 -11.934 1.00 0.00 N ATOM 1429 CA LYS A 89 4.339 15.111 -10.573 1.00 0.00 C ATOM 1430 C LYS A 89 4.844 16.527 -10.287 1.00 0.00 C ATOM 1431 O LYS A 89 5.932 16.703 -9.741 1.00 0.00 O ATOM 1432 CB LYS A 89 4.854 14.063 -9.585 1.00 0.00 C ATOM 1433 CG LYS A 89 3.728 13.126 -9.143 1.00 0.00 C ATOM 1434 CD LYS A 89 3.139 12.374 -10.338 1.00 0.00 C ATOM 1435 CE LYS A 89 4.005 11.169 -10.709 1.00 0.00 C ATOM 1436 NZ LYS A 89 3.264 10.253 -11.604 1.00 0.00 N ATOM 0 H LYS A 89 5.680 14.545 -12.081 1.00 0.00 H new ATOM 0 HA LYS A 89 3.256 15.127 -10.449 1.00 0.00 H new ATOM 0 HB2 LYS A 89 5.653 13.484 -10.047 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.282 14.559 -8.714 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.109 12.413 -8.412 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.945 13.701 -8.649 1.00 0.00 H new ATOM 0 HD2 LYS A 89 2.129 12.041 -10.100 1.00 0.00 H new ATOM 0 HD3 LYS A 89 3.060 13.046 -11.192 1.00 0.00 H new ATOM 0 HE2 LYS A 89 4.918 11.507 -11.200 1.00 0.00 H new ATOM 0 HE3 LYS A 89 4.307 10.639 -9.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 3.913 9.866 -12.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 2.860 9.474 -11.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 2.498 10.774 -12.077 1.00 0.00 H new ATOM 1450 N HIS A 90 4.029 17.499 -10.667 1.00 0.00 N ATOM 1451 CA HIS A 90 4.379 18.894 -10.458 1.00 0.00 C ATOM 1452 C HIS A 90 4.730 19.120 -8.986 1.00 0.00 C ATOM 1453 O HIS A 90 5.721 19.778 -8.675 1.00 0.00 O ATOM 1454 CB HIS A 90 3.260 19.815 -10.949 1.00 0.00 C ATOM 1455 CG HIS A 90 3.343 21.223 -10.409 1.00 0.00 C ATOM 1456 ND1 HIS A 90 3.251 22.342 -11.218 1.00 0.00 N ATOM 1457 CD2 HIS A 90 3.508 21.681 -9.135 1.00 0.00 C ATOM 1458 CE1 HIS A 90 3.359 23.420 -10.455 1.00 0.00 C ATOM 1459 NE2 HIS A 90 3.519 23.008 -9.165 1.00 0.00 N ATOM 0 H HIS A 90 3.127 17.349 -11.119 1.00 0.00 H new ATOM 0 HA HIS A 90 5.261 19.144 -11.048 1.00 0.00 H new ATOM 0 HB2 HIS A 90 3.285 19.852 -12.038 1.00 0.00 H new ATOM 0 HB3 HIS A 90 2.299 19.385 -10.667 1.00 0.00 H new ATOM 0 HD2 HIS A 90 3.612 21.068 -8.252 1.00 0.00 H new ATOM 0 HE1 HIS A 90 3.326 24.445 -10.795 1.00 0.00 H new ATOM 0 HE2 HIS A 90 3.629 23.619 -8.356 1.00 0.00 H new ATOM 1467 N ARG A 91 3.898 18.560 -8.120 1.00 0.00 N ATOM 1468 CA ARG A 91 4.108 18.692 -6.688 1.00 0.00 C ATOM 1469 C ARG A 91 5.605 18.734 -6.373 1.00 0.00 C ATOM 1470 O ARG A 91 6.152 19.797 -6.084 1.00 0.00 O ATOM 1471 CB ARG A 91 3.466 17.530 -5.928 1.00 0.00 C ATOM 1472 CG ARG A 91 2.176 17.975 -5.235 1.00 0.00 C ATOM 1473 CD ARG A 91 2.265 17.760 -3.722 1.00 0.00 C ATOM 1474 NE ARG A 91 1.019 18.222 -3.071 1.00 0.00 N ATOM 1475 CZ ARG A 91 0.791 18.156 -1.753 1.00 0.00 C ATOM 1476 NH1 ARG A 91 1.724 17.647 -0.936 1.00 0.00 N ATOM 1477 NH2 ARG A 91 -0.369 18.599 -1.250 1.00 0.00 N ATOM 0 H ARG A 91 3.077 18.014 -8.382 1.00 0.00 H new ATOM 0 HA ARG A 91 3.640 19.623 -6.368 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.250 16.714 -6.618 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.166 17.144 -5.188 1.00 0.00 H new ATOM 0 HG2 ARG A 91 1.990 19.028 -5.446 1.00 0.00 H new ATOM 0 HG3 ARG A 91 1.331 17.415 -5.637 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.428 16.704 -3.505 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.119 18.304 -3.319 1.00 0.00 H new ATOM 0 HE ARG A 91 0.288 18.615 -3.663 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.608 17.310 -1.318 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.550 17.597 0.068 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.079 18.987 -1.871 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.542 18.548 -0.246 1.00 0.00 H new ATOM 1491 N LEU A 92 6.223 17.564 -6.440 1.00 0.00 N ATOM 1492 CA LEU A 92 7.646 17.454 -6.165 1.00 0.00 C ATOM 1493 C LEU A 92 8.269 16.440 -7.126 1.00 0.00 C ATOM 1494 O LEU A 92 7.585 15.901 -7.995 1.00 0.00 O ATOM 1495 CB LEU A 92 7.883 17.128 -4.689 1.00 0.00 C ATOM 1496 CG LEU A 92 7.094 17.967 -3.682 1.00 0.00 C ATOM 1497 CD1 LEU A 92 5.940 17.162 -3.081 1.00 0.00 C ATOM 1498 CD2 LEU A 92 8.017 18.539 -2.603 1.00 0.00 C ATOM 0 H LEU A 92 5.765 16.685 -6.680 1.00 0.00 H new ATOM 0 HA LEU A 92 8.143 18.408 -6.341 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.641 16.078 -4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.946 17.247 -4.477 1.00 0.00 H new ATOM 0 HG LEU A 92 6.655 18.812 -4.212 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.396 17.782 -2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.265 16.845 -3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.336 16.285 -2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.431 19.131 -1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.505 17.722 -2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.773 19.171 -3.069 1.00 0.00 H new ATOM 1510 N THR A 93 9.561 16.211 -6.938 1.00 0.00 N ATOM 1511 CA THR A 93 10.284 15.271 -7.778 1.00 0.00 C ATOM 1512 C THR A 93 9.976 13.833 -7.357 1.00 0.00 C ATOM 1513 O THR A 93 10.086 13.489 -6.181 1.00 0.00 O ATOM 1514 CB THR A 93 11.772 15.620 -7.705 1.00 0.00 C ATOM 1515 OG1 THR A 93 12.155 15.232 -6.388 1.00 0.00 O ATOM 1516 CG2 THR A 93 12.022 17.129 -7.736 1.00 0.00 C ATOM 0 H THR A 93 10.125 16.660 -6.217 1.00 0.00 H new ATOM 0 HA THR A 93 9.968 15.346 -8.818 1.00 0.00 H new ATOM 0 HB THR A 93 12.297 15.148 -8.536 1.00 0.00 H new ATOM 0 HG1 THR A 93 12.419 14.288 -6.389 1.00 0.00 H new ATOM 0 HG21 THR A 93 13.093 17.321 -7.682 1.00 0.00 H new ATOM 0 HG22 THR A 93 11.625 17.545 -8.662 1.00 0.00 H new ATOM 0 HG23 THR A 93 11.526 17.598 -6.886 1.00 0.00 H new ATOM 1524 N CYS A 94 9.596 13.031 -8.341 1.00 0.00 N ATOM 1525 CA CYS A 94 9.271 11.638 -8.088 1.00 0.00 C ATOM 1526 C CYS A 94 8.984 10.960 -9.429 1.00 0.00 C ATOM 1527 O CYS A 94 8.290 11.520 -10.276 1.00 0.00 O ATOM 1528 CB CYS A 94 8.097 11.499 -7.115 1.00 0.00 C ATOM 1529 SG CYS A 94 7.231 9.888 -7.183 1.00 0.00 S ATOM 0 H CYS A 94 9.506 13.320 -9.315 1.00 0.00 H new ATOM 0 HA CYS A 94 10.117 11.146 -7.607 1.00 0.00 H new ATOM 0 HB2 CYS A 94 8.463 11.656 -6.101 1.00 0.00 H new ATOM 0 HB3 CYS A 94 7.377 12.291 -7.320 1.00 0.00 H new ATOM 1534 N PRO A 95 9.547 9.731 -9.583 1.00 0.00 N ATOM 1535 CA PRO A 95 9.359 8.971 -10.807 1.00 0.00 C ATOM 1536 C PRO A 95 7.952 8.372 -10.870 1.00 0.00 C ATOM 1537 O PRO A 95 7.394 7.981 -9.846 1.00 0.00 O ATOM 1538 CB PRO A 95 10.453 7.916 -10.787 1.00 0.00 C ATOM 1539 CG PRO A 95 10.919 7.827 -9.343 1.00 0.00 C ATOM 1540 CD PRO A 95 10.374 9.037 -8.602 1.00 0.00 C ATOM 0 HA PRO A 95 9.436 9.589 -11.702 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.075 6.955 -11.136 1.00 0.00 H new ATOM 0 HB3 PRO A 95 11.275 8.193 -11.447 1.00 0.00 H new ATOM 0 HG2 PRO A 95 10.563 6.905 -8.883 1.00 0.00 H new ATOM 0 HG3 PRO A 95 12.008 7.808 -9.294 1.00 0.00 H new ATOM 0 HD2 PRO A 95 9.789 8.738 -7.732 1.00 0.00 H new ATOM 0 HD3 PRO A 95 11.180 9.676 -8.241 1.00 0.00 H new ATOM 1548 N SER A 96 7.419 8.320 -12.082 1.00 0.00 N ATOM 1549 CA SER A 96 6.089 7.776 -12.292 1.00 0.00 C ATOM 1550 C SER A 96 6.150 6.248 -12.343 1.00 0.00 C ATOM 1551 O SER A 96 7.220 5.661 -12.188 1.00 0.00 O ATOM 1552 CB SER A 96 5.465 8.325 -13.577 1.00 0.00 C ATOM 1553 OG SER A 96 4.990 9.659 -13.412 1.00 0.00 O ATOM 0 H SER A 96 7.885 8.646 -12.929 1.00 0.00 H new ATOM 0 HA SER A 96 5.460 8.081 -11.456 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.203 8.300 -14.378 1.00 0.00 H new ATOM 0 HB3 SER A 96 4.640 7.682 -13.883 1.00 0.00 H new ATOM 0 HG SER A 96 4.206 9.800 -13.983 1.00 0.00 H new ATOM 1559 N CYS A 97 4.989 5.648 -12.560 1.00 0.00 N ATOM 1560 CA CYS A 97 4.897 4.200 -12.633 1.00 0.00 C ATOM 1561 C CYS A 97 4.971 3.787 -14.105 1.00 0.00 C ATOM 1562 O CYS A 97 4.016 3.980 -14.856 1.00 0.00 O ATOM 1563 CB CYS A 97 3.627 3.678 -11.957 1.00 0.00 C ATOM 1564 SG CYS A 97 3.902 2.352 -10.727 1.00 0.00 S ATOM 0 H CYS A 97 4.104 6.139 -12.688 1.00 0.00 H new ATOM 0 HA CYS A 97 5.729 3.753 -12.089 1.00 0.00 H new ATOM 0 HB2 CYS A 97 3.125 4.512 -11.466 1.00 0.00 H new ATOM 0 HB3 CYS A 97 2.950 3.306 -12.726 1.00 0.00 H new ATOM 1569 N ASP A 98 6.114 3.228 -14.473 1.00 0.00 N ATOM 1570 CA ASP A 98 6.325 2.787 -15.841 1.00 0.00 C ATOM 1571 C ASP A 98 7.795 2.404 -16.028 1.00 0.00 C ATOM 1572 O ASP A 98 8.103 1.423 -16.704 1.00 0.00 O ATOM 1573 CB ASP A 98 5.998 3.903 -16.836 1.00 0.00 C ATOM 1574 CG ASP A 98 6.495 3.663 -18.263 1.00 0.00 C ATOM 1575 OD1 ASP A 98 6.280 2.535 -18.757 1.00 0.00 O ATOM 1576 OD2 ASP A 98 7.079 4.613 -18.827 1.00 0.00 O ATOM 0 H ASP A 98 6.904 3.070 -13.847 1.00 0.00 H new ATOM 0 HA ASP A 98 5.670 1.935 -16.025 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.917 4.041 -16.862 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.429 4.834 -16.469 1.00 0.00 H new ATOM 1581 N SER A 99 8.662 3.197 -15.417 1.00 0.00 N ATOM 1582 CA SER A 99 10.092 2.952 -15.507 1.00 0.00 C ATOM 1583 C SER A 99 10.416 1.545 -15.000 1.00 0.00 C ATOM 1584 O SER A 99 11.298 0.877 -15.536 1.00 0.00 O ATOM 1585 CB SER A 99 10.880 3.997 -14.714 1.00 0.00 C ATOM 1586 OG SER A 99 10.361 4.172 -13.399 1.00 0.00 O ATOM 0 H SER A 99 8.403 4.010 -14.858 1.00 0.00 H new ATOM 0 HA SER A 99 10.387 3.030 -16.553 1.00 0.00 H new ATOM 0 HB2 SER A 99 11.925 3.694 -14.654 1.00 0.00 H new ATOM 0 HB3 SER A 99 10.854 4.949 -15.244 1.00 0.00 H new ATOM 0 HG SER A 99 10.892 4.845 -12.925 1.00 0.00 H new ATOM 1592 N TYR A 100 9.684 1.138 -13.974 1.00 0.00 N ATOM 1593 CA TYR A 100 9.882 -0.177 -13.389 1.00 0.00 C ATOM 1594 C TYR A 100 9.138 -1.250 -14.186 1.00 0.00 C ATOM 1595 O TYR A 100 8.455 -0.941 -15.162 1.00 0.00 O ATOM 1596 CB TYR A 100 9.292 -0.105 -11.979 1.00 0.00 C ATOM 1597 CG TYR A 100 9.615 1.192 -11.234 1.00 0.00 C ATOM 1598 CD1 TYR A 100 10.896 1.424 -10.777 1.00 0.00 C ATOM 1599 CD2 TYR A 100 8.626 2.130 -11.020 1.00 0.00 C ATOM 1600 CE1 TYR A 100 11.201 2.645 -10.076 1.00 0.00 C ATOM 1601 CE2 TYR A 100 8.930 3.351 -10.320 1.00 0.00 C ATOM 1602 CZ TYR A 100 10.203 3.548 -9.882 1.00 0.00 C ATOM 1603 OH TYR A 100 10.490 4.701 -9.220 1.00 0.00 O ATOM 0 H TYR A 100 8.953 1.696 -13.533 1.00 0.00 H new ATOM 0 HA TYR A 100 10.940 -0.440 -13.387 1.00 0.00 H new ATOM 0 HB2 TYR A 100 8.209 -0.215 -12.043 1.00 0.00 H new ATOM 0 HB3 TYR A 100 9.664 -0.948 -11.397 1.00 0.00 H new ATOM 0 HD1 TYR A 100 11.670 0.690 -10.945 1.00 0.00 H new ATOM 0 HD2 TYR A 100 7.623 1.948 -11.378 1.00 0.00 H new ATOM 0 HE1 TYR A 100 12.199 2.839 -9.713 1.00 0.00 H new ATOM 0 HE2 TYR A 100 8.165 4.093 -10.147 1.00 0.00 H new ATOM 0 HH TYR A 100 11.426 4.945 -9.379 1.00 0.00 H new ATOM 1613 N GLU A 101 9.294 -2.488 -13.741 1.00 0.00 N ATOM 1614 CA GLU A 101 8.645 -3.608 -14.401 1.00 0.00 C ATOM 1615 C GLU A 101 7.515 -4.156 -13.527 1.00 0.00 C ATOM 1616 O GLU A 101 6.341 -3.918 -13.804 1.00 0.00 O ATOM 1617 CB GLU A 101 9.657 -4.704 -14.741 1.00 0.00 C ATOM 1618 CG GLU A 101 8.961 -5.920 -15.356 1.00 0.00 C ATOM 1619 CD GLU A 101 8.833 -5.769 -16.874 1.00 0.00 C ATOM 1620 OE1 GLU A 101 8.121 -4.831 -17.292 1.00 0.00 O ATOM 1621 OE2 GLU A 101 9.449 -6.596 -17.580 1.00 0.00 O ATOM 0 H GLU A 101 9.861 -2.740 -12.931 1.00 0.00 H new ATOM 0 HA GLU A 101 8.214 -3.254 -15.338 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.400 -4.315 -15.437 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.191 -5.003 -13.839 1.00 0.00 H new ATOM 0 HG2 GLU A 101 9.525 -6.823 -15.123 1.00 0.00 H new ATOM 0 HG3 GLU A 101 7.972 -6.039 -14.914 1.00 0.00 H new ATOM 1628 N LYS A 102 7.910 -4.881 -12.491 1.00 0.00 N ATOM 1629 CA LYS A 102 6.945 -5.466 -11.575 1.00 0.00 C ATOM 1630 C LYS A 102 7.688 -6.144 -10.422 1.00 0.00 C ATOM 1631 O LYS A 102 8.846 -5.827 -10.154 1.00 0.00 O ATOM 1632 CB LYS A 102 5.991 -6.398 -12.325 1.00 0.00 C ATOM 1633 CG LYS A 102 6.761 -7.508 -13.043 1.00 0.00 C ATOM 1634 CD LYS A 102 6.774 -8.792 -12.212 1.00 0.00 C ATOM 1635 CE LYS A 102 8.176 -9.081 -11.670 1.00 0.00 C ATOM 1636 NZ LYS A 102 9.138 -9.246 -12.782 1.00 0.00 N ATOM 0 H LYS A 102 8.885 -5.077 -12.265 1.00 0.00 H new ATOM 0 HA LYS A 102 6.317 -4.690 -11.137 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.281 -6.838 -11.625 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.412 -5.825 -13.049 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.304 -7.703 -14.013 1.00 0.00 H new ATOM 0 HG3 LYS A 102 7.784 -7.182 -13.232 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.072 -8.700 -11.383 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.437 -9.629 -12.824 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.497 -8.266 -11.022 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.157 -9.984 -11.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.864 -9.940 -12.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.636 -9.581 -13.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 9.591 -8.333 -12.987 1.00 0.00 H new ATOM 1650 N LYS A 103 6.991 -7.064 -9.772 1.00 0.00 N ATOM 1651 CA LYS A 103 7.570 -7.789 -8.654 1.00 0.00 C ATOM 1652 C LYS A 103 6.584 -8.858 -8.179 1.00 0.00 C ATOM 1653 O LYS A 103 5.451 -8.916 -8.653 1.00 0.00 O ATOM 1654 CB LYS A 103 8.004 -6.819 -7.552 1.00 0.00 C ATOM 1655 CG LYS A 103 9.529 -6.758 -7.445 1.00 0.00 C ATOM 1656 CD LYS A 103 9.997 -5.345 -7.089 1.00 0.00 C ATOM 1657 CE LYS A 103 11.155 -5.386 -6.090 1.00 0.00 C ATOM 1658 NZ LYS A 103 12.453 -5.364 -6.800 1.00 0.00 N ATOM 0 H LYS A 103 6.031 -7.324 -9.998 1.00 0.00 H new ATOM 0 HA LYS A 103 8.477 -8.307 -8.965 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.611 -5.824 -7.762 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.581 -7.134 -6.598 1.00 0.00 H new ATOM 0 HG2 LYS A 103 9.872 -7.461 -6.686 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.976 -7.066 -8.390 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.311 -4.823 -7.993 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.167 -4.779 -6.666 1.00 0.00 H new ATOM 0 HE2 LYS A 103 11.090 -4.534 -5.413 1.00 0.00 H new ATOM 0 HE3 LYS A 103 11.084 -6.285 -5.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 13.228 -5.392 -6.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 12.519 -6.190 -7.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 12.525 -4.494 -7.365 1.00 0.00 H new ATOM 1672 N PRO A 104 7.063 -9.699 -7.223 1.00 0.00 N ATOM 1673 CA PRO A 104 6.237 -10.762 -6.679 1.00 0.00 C ATOM 1674 C PRO A 104 5.191 -10.204 -5.712 1.00 0.00 C ATOM 1675 O PRO A 104 5.201 -9.014 -5.400 1.00 0.00 O ATOM 1676 CB PRO A 104 7.213 -11.717 -6.012 1.00 0.00 C ATOM 1677 CG PRO A 104 8.493 -10.925 -5.802 1.00 0.00 C ATOM 1678 CD PRO A 104 8.400 -9.659 -6.638 1.00 0.00 C ATOM 0 HA PRO A 104 5.657 -11.277 -7.445 1.00 0.00 H new ATOM 0 HB2 PRO A 104 6.818 -12.080 -5.063 1.00 0.00 H new ATOM 0 HB3 PRO A 104 7.393 -12.591 -6.637 1.00 0.00 H new ATOM 0 HG2 PRO A 104 8.621 -10.678 -4.748 1.00 0.00 H new ATOM 0 HG3 PRO A 104 9.360 -11.515 -6.098 1.00 0.00 H new ATOM 0 HD2 PRO A 104 8.537 -8.768 -6.025 1.00 0.00 H new ATOM 0 HD3 PRO A 104 9.169 -9.637 -7.410 1.00 0.00 H new ATOM 1686 N PRO A 105 4.290 -11.113 -5.251 1.00 0.00 N ATOM 1687 CA PRO A 105 3.240 -10.723 -4.326 1.00 0.00 C ATOM 1688 C PRO A 105 3.801 -10.513 -2.917 1.00 0.00 C ATOM 1689 O PRO A 105 3.733 -9.411 -2.376 1.00 0.00 O ATOM 1690 CB PRO A 105 2.217 -11.844 -4.397 1.00 0.00 C ATOM 1691 CG PRO A 105 2.944 -13.035 -5.001 1.00 0.00 C ATOM 1692 CD PRO A 105 4.248 -12.530 -5.598 1.00 0.00 C ATOM 0 HA PRO A 105 2.783 -9.768 -4.586 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.831 -12.084 -3.406 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.363 -11.555 -5.010 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.140 -13.790 -4.239 1.00 0.00 H new ATOM 0 HG3 PRO A 105 2.331 -13.508 -5.768 1.00 0.00 H new ATOM 0 HD2 PRO A 105 5.105 -13.064 -5.187 1.00 0.00 H new ATOM 0 HD3 PRO A 105 4.271 -12.674 -6.678 1.00 0.00 H new ATOM 1700 N LYS A 106 4.342 -11.589 -2.364 1.00 0.00 N ATOM 1701 CA LYS A 106 4.914 -11.536 -1.030 1.00 0.00 C ATOM 1702 C LYS A 106 5.685 -10.226 -0.861 1.00 0.00 C ATOM 1703 O LYS A 106 5.627 -9.599 0.196 1.00 0.00 O ATOM 1704 CB LYS A 106 5.756 -12.785 -0.758 1.00 0.00 C ATOM 1705 CG LYS A 106 6.508 -13.223 -2.017 1.00 0.00 C ATOM 1706 CD LYS A 106 7.941 -13.641 -1.681 1.00 0.00 C ATOM 1707 CE LYS A 106 8.043 -15.157 -1.502 1.00 0.00 C ATOM 1708 NZ LYS A 106 9.297 -15.512 -0.801 1.00 0.00 N ATOM 0 H LYS A 106 4.396 -12.502 -2.816 1.00 0.00 H new ATOM 0 HA LYS A 106 4.125 -11.541 -0.277 1.00 0.00 H new ATOM 0 HB2 LYS A 106 6.467 -12.582 0.043 1.00 0.00 H new ATOM 0 HB3 LYS A 106 5.112 -13.595 -0.414 1.00 0.00 H new ATOM 0 HG2 LYS A 106 5.983 -14.055 -2.488 1.00 0.00 H new ATOM 0 HG3 LYS A 106 6.523 -12.406 -2.739 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.613 -13.319 -2.476 1.00 0.00 H new ATOM 0 HD3 LYS A 106 8.265 -13.141 -0.768 1.00 0.00 H new ATOM 0 HE2 LYS A 106 7.186 -15.521 -0.934 1.00 0.00 H new ATOM 0 HE3 LYS A 106 8.012 -15.647 -2.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 9.351 -16.544 -0.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 10.111 -15.182 -1.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 9.311 -15.060 0.135 1.00 0.00 H new ATOM 1722 N GLU A 107 6.390 -9.851 -1.918 1.00 0.00 N ATOM 1723 CA GLU A 107 7.172 -8.626 -1.900 1.00 0.00 C ATOM 1724 C GLU A 107 6.255 -7.409 -2.026 1.00 0.00 C ATOM 1725 O GLU A 107 6.189 -6.580 -1.119 1.00 0.00 O ATOM 1726 CB GLU A 107 8.228 -8.634 -3.007 1.00 0.00 C ATOM 1727 CG GLU A 107 9.429 -9.497 -2.614 1.00 0.00 C ATOM 1728 CD GLU A 107 10.693 -9.047 -3.349 1.00 0.00 C ATOM 1729 OE1 GLU A 107 10.815 -9.406 -4.540 1.00 0.00 O ATOM 1730 OE2 GLU A 107 11.508 -8.353 -2.704 1.00 0.00 O ATOM 0 H GLU A 107 6.436 -10.374 -2.793 1.00 0.00 H new ATOM 0 HA GLU A 107 7.694 -8.565 -0.945 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.789 -9.014 -3.930 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.558 -7.615 -3.207 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.589 -9.435 -1.538 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.222 -10.542 -2.846 1.00 0.00 H new ATOM 1737 N PHE A 108 5.569 -7.339 -3.158 1.00 0.00 N ATOM 1738 CA PHE A 108 4.658 -6.237 -3.414 1.00 0.00 C ATOM 1739 C PHE A 108 3.875 -5.867 -2.152 1.00 0.00 C ATOM 1740 O PHE A 108 3.577 -4.696 -1.923 1.00 0.00 O ATOM 1741 CB PHE A 108 3.676 -6.708 -4.489 1.00 0.00 C ATOM 1742 CG PHE A 108 2.510 -5.747 -4.731 1.00 0.00 C ATOM 1743 CD1 PHE A 108 2.665 -4.688 -5.570 1.00 0.00 C ATOM 1744 CD2 PHE A 108 1.319 -5.953 -4.108 1.00 0.00 C ATOM 1745 CE1 PHE A 108 1.583 -3.796 -5.795 1.00 0.00 C ATOM 1746 CE2 PHE A 108 0.237 -5.061 -4.333 1.00 0.00 C ATOM 1747 CZ PHE A 108 0.392 -4.002 -5.172 1.00 0.00 C ATOM 0 H PHE A 108 5.626 -8.028 -3.908 1.00 0.00 H new ATOM 0 HA PHE A 108 5.219 -5.358 -3.732 1.00 0.00 H new ATOM 0 HB2 PHE A 108 4.217 -6.849 -5.424 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.278 -7.681 -4.202 1.00 0.00 H new ATOM 0 HD1 PHE A 108 3.611 -4.525 -6.065 1.00 0.00 H new ATOM 0 HD2 PHE A 108 1.196 -6.795 -3.442 1.00 0.00 H new ATOM 0 HE1 PHE A 108 1.706 -2.954 -6.461 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.709 -5.224 -3.838 1.00 0.00 H new ATOM 0 HZ PHE A 108 -0.431 -3.324 -5.344 1.00 0.00 H new ATOM 1757 N LEU A 109 3.565 -6.888 -1.367 1.00 0.00 N ATOM 1758 CA LEU A 109 2.823 -6.686 -0.134 1.00 0.00 C ATOM 1759 C LEU A 109 3.780 -6.209 0.960 1.00 0.00 C ATOM 1760 O LEU A 109 3.474 -5.269 1.691 1.00 0.00 O ATOM 1761 CB LEU A 109 2.045 -7.950 0.237 1.00 0.00 C ATOM 1762 CG LEU A 109 0.698 -8.139 -0.464 1.00 0.00 C ATOM 1763 CD1 LEU A 109 -0.116 -6.844 -0.445 1.00 0.00 C ATOM 1764 CD2 LEU A 109 0.889 -8.676 -1.884 1.00 0.00 C ATOM 0 H LEU A 109 3.814 -7.858 -1.561 1.00 0.00 H new ATOM 0 HA LEU A 109 2.073 -5.906 -0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.671 -8.815 0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.874 -7.945 1.314 1.00 0.00 H new ATOM 0 HG LEU A 109 0.127 -8.886 0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.069 -7.006 -0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.298 -6.544 0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.438 -6.058 -0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.084 -8.801 -2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.488 -7.972 -2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.400 -9.638 -1.844 1.00 0.00 H new ATOM 1776 N GLU A 110 4.920 -6.880 1.037 1.00 0.00 N ATOM 1777 CA GLU A 110 5.924 -6.536 2.030 1.00 0.00 C ATOM 1778 C GLU A 110 6.419 -5.105 1.811 1.00 0.00 C ATOM 1779 O GLU A 110 6.936 -4.476 2.733 1.00 0.00 O ATOM 1780 CB GLU A 110 7.087 -7.530 1.999 1.00 0.00 C ATOM 1781 CG GLU A 110 7.090 -8.410 3.251 1.00 0.00 C ATOM 1782 CD GLU A 110 8.066 -7.871 4.298 1.00 0.00 C ATOM 1783 OE1 GLU A 110 7.695 -6.882 4.965 1.00 0.00 O ATOM 1784 OE2 GLU A 110 9.163 -8.462 4.409 1.00 0.00 O ATOM 0 H GLU A 110 5.171 -7.659 0.429 1.00 0.00 H new ATOM 0 HA GLU A 110 5.466 -6.593 3.017 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.011 -8.156 1.110 1.00 0.00 H new ATOM 0 HB3 GLU A 110 8.031 -6.989 1.928 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.086 -8.452 3.673 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.366 -9.430 2.982 1.00 0.00 H new ATOM 1791 N ARG A 111 6.244 -4.633 0.586 1.00 0.00 N ATOM 1792 CA ARG A 111 6.666 -3.288 0.234 1.00 0.00 C ATOM 1793 C ARG A 111 5.543 -2.288 0.518 1.00 0.00 C ATOM 1794 O ARG A 111 5.779 -1.235 1.107 1.00 0.00 O ATOM 1795 CB ARG A 111 7.056 -3.201 -1.242 1.00 0.00 C ATOM 1796 CG ARG A 111 8.433 -2.556 -1.409 1.00 0.00 C ATOM 1797 CD ARG A 111 8.331 -1.030 -1.375 1.00 0.00 C ATOM 1798 NE ARG A 111 9.179 -0.490 -0.289 1.00 0.00 N ATOM 1799 CZ ARG A 111 10.497 -0.278 -0.399 1.00 0.00 C ATOM 1800 NH1 ARG A 111 11.127 -0.560 -1.548 1.00 0.00 N ATOM 1801 NH2 ARG A 111 11.186 0.215 0.639 1.00 0.00 N ATOM 0 H ARG A 111 5.815 -5.158 -0.176 1.00 0.00 H new ATOM 0 HA ARG A 111 7.537 -3.044 0.842 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.063 -4.199 -1.679 1.00 0.00 H new ATOM 0 HB3 ARG A 111 6.310 -2.620 -1.785 1.00 0.00 H new ATOM 0 HG2 ARG A 111 9.097 -2.897 -0.615 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.875 -2.874 -2.353 1.00 0.00 H new ATOM 0 HD2 ARG A 111 8.645 -0.615 -2.333 1.00 0.00 H new ATOM 0 HD3 ARG A 111 7.294 -0.730 -1.222 1.00 0.00 H new ATOM 0 HE ARG A 111 8.731 -0.265 0.600 1.00 0.00 H new ATOM 0 HH11 ARG A 111 10.603 -0.936 -2.338 1.00 0.00 H new ATOM 0 HH12 ARG A 111 12.131 -0.399 -1.632 1.00 0.00 H new ATOM 0 HH21 ARG A 111 10.707 0.429 1.514 1.00 0.00 H new ATOM 0 HH22 ARG A 111 12.190 0.376 0.555 1.00 0.00 H new ATOM 1815 N PHE A 112 4.345 -2.654 0.085 1.00 0.00 N ATOM 1816 CA PHE A 112 3.185 -1.802 0.285 1.00 0.00 C ATOM 1817 C PHE A 112 2.935 -1.557 1.774 1.00 0.00 C ATOM 1818 O PHE A 112 2.922 -0.413 2.225 1.00 0.00 O ATOM 1819 CB PHE A 112 1.982 -2.538 -0.308 1.00 0.00 C ATOM 1820 CG PHE A 112 0.757 -1.649 -0.531 1.00 0.00 C ATOM 1821 CD1 PHE A 112 0.735 -0.384 -0.033 1.00 0.00 C ATOM 1822 CD2 PHE A 112 -0.310 -2.124 -1.227 1.00 0.00 C ATOM 1823 CE1 PHE A 112 -0.402 0.441 -0.239 1.00 0.00 C ATOM 1824 CE2 PHE A 112 -1.447 -1.299 -1.434 1.00 0.00 C ATOM 1825 CZ PHE A 112 -1.470 -0.034 -0.936 1.00 0.00 C ATOM 0 H PHE A 112 4.153 -3.529 -0.403 1.00 0.00 H new ATOM 0 HA PHE A 112 3.346 -0.836 -0.192 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.274 -2.982 -1.260 1.00 0.00 H new ATOM 0 HB3 PHE A 112 1.707 -3.358 0.356 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.583 -0.007 0.519 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.293 -3.129 -1.622 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -0.419 1.445 0.157 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -2.294 -1.677 -1.987 1.00 0.00 H new ATOM 0 HZ PHE A 112 -2.335 0.593 -1.093 1.00 0.00 H new ATOM 1835 N LYS A 113 2.742 -2.651 2.497 1.00 0.00 N ATOM 1836 CA LYS A 113 2.492 -2.569 3.926 1.00 0.00 C ATOM 1837 C LYS A 113 3.524 -1.639 4.567 1.00 0.00 C ATOM 1838 O LYS A 113 3.165 -0.722 5.304 1.00 0.00 O ATOM 1839 CB LYS A 113 2.457 -3.968 4.544 1.00 0.00 C ATOM 1840 CG LYS A 113 2.284 -3.892 6.062 1.00 0.00 C ATOM 1841 CD LYS A 113 2.946 -5.088 6.750 1.00 0.00 C ATOM 1842 CE LYS A 113 4.449 -4.862 6.918 1.00 0.00 C ATOM 1843 NZ LYS A 113 4.996 -5.763 7.957 1.00 0.00 N ATOM 0 H LYS A 113 2.754 -3.599 2.120 1.00 0.00 H new ATOM 0 HA LYS A 113 1.510 -2.136 4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 113 1.638 -4.541 4.109 1.00 0.00 H new ATOM 0 HB3 LYS A 113 3.379 -4.498 4.305 1.00 0.00 H new ATOM 0 HG2 LYS A 113 2.721 -2.966 6.435 1.00 0.00 H new ATOM 0 HG3 LYS A 113 1.223 -3.867 6.310 1.00 0.00 H new ATOM 0 HD2 LYS A 113 2.488 -5.250 7.726 1.00 0.00 H new ATOM 0 HD3 LYS A 113 2.774 -5.990 6.163 1.00 0.00 H new ATOM 0 HE2 LYS A 113 4.957 -5.039 5.970 1.00 0.00 H new ATOM 0 HE3 LYS A 113 4.638 -3.824 7.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 6.018 -5.596 8.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 4.523 -5.575 8.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 4.832 -6.752 7.680 1.00 0.00 H new ATOM 1857 N SER A 114 4.786 -1.908 4.263 1.00 0.00 N ATOM 1858 CA SER A 114 5.872 -1.106 4.801 1.00 0.00 C ATOM 1859 C SER A 114 5.729 0.345 4.339 1.00 0.00 C ATOM 1860 O SER A 114 5.643 1.256 5.161 1.00 0.00 O ATOM 1861 CB SER A 114 7.231 -1.667 4.378 1.00 0.00 C ATOM 1862 OG SER A 114 8.170 -1.656 5.450 1.00 0.00 O ATOM 0 H SER A 114 5.080 -2.670 3.651 1.00 0.00 H new ATOM 0 HA SER A 114 5.817 -1.141 5.889 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.105 -2.688 4.017 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.623 -1.080 3.547 1.00 0.00 H new ATOM 0 HG SER A 114 9.024 -2.023 5.140 1.00 0.00 H new ATOM 1868 N LEU A 115 5.710 0.515 3.025 1.00 0.00 N ATOM 1869 CA LEU A 115 5.579 1.841 2.444 1.00 0.00 C ATOM 1870 C LEU A 115 4.570 2.653 3.259 1.00 0.00 C ATOM 1871 O LEU A 115 4.716 3.866 3.403 1.00 0.00 O ATOM 1872 CB LEU A 115 5.232 1.742 0.957 1.00 0.00 C ATOM 1873 CG LEU A 115 5.554 2.975 0.110 1.00 0.00 C ATOM 1874 CD1 LEU A 115 4.571 4.112 0.400 1.00 0.00 C ATOM 1875 CD2 LEU A 115 7.007 3.411 0.306 1.00 0.00 C ATOM 0 H LEU A 115 5.783 -0.243 2.346 1.00 0.00 H new ATOM 0 HA LEU A 115 6.529 2.374 2.491 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.763 0.888 0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.166 1.531 0.866 1.00 0.00 H new ATOM 0 HG LEU A 115 5.437 2.707 -0.940 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.822 4.976 -0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.557 3.785 0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.632 4.386 1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 115 7.209 4.289 -0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.175 3.654 1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.673 2.601 0.010 1.00 0.00 H new ATOM 1887 N LEU A 116 3.569 1.952 3.770 1.00 0.00 N ATOM 1888 CA LEU A 116 2.537 2.593 4.567 1.00 0.00 C ATOM 1889 C LEU A 116 3.108 2.954 5.939 1.00 0.00 C ATOM 1890 O LEU A 116 3.204 4.130 6.286 1.00 0.00 O ATOM 1891 CB LEU A 116 1.288 1.712 4.633 1.00 0.00 C ATOM 1892 CG LEU A 116 0.605 1.414 3.297 1.00 0.00 C ATOM 1893 CD1 LEU A 116 0.025 -0.002 3.280 1.00 0.00 C ATOM 1894 CD2 LEU A 116 -0.454 2.470 2.974 1.00 0.00 C ATOM 0 H LEU A 116 3.450 0.946 3.648 1.00 0.00 H new ATOM 0 HA LEU A 116 2.218 3.525 4.100 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.560 0.765 5.098 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.563 2.193 5.290 1.00 0.00 H new ATOM 0 HG LEU A 116 1.359 1.463 2.511 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.455 -0.187 2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.826 -0.725 3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.711 -0.104 4.078 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.924 2.234 2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.211 2.478 3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.017 3.451 2.914 1.00 0.00 H new ATOM 1906 N GLN A 117 3.473 1.920 6.684 1.00 0.00 N ATOM 1907 CA GLN A 117 4.033 2.114 8.011 1.00 0.00 C ATOM 1908 C GLN A 117 5.334 2.914 7.926 1.00 0.00 C ATOM 1909 O GLN A 117 5.904 3.289 8.950 1.00 0.00 O ATOM 1910 CB GLN A 117 4.258 0.773 8.712 1.00 0.00 C ATOM 1911 CG GLN A 117 5.448 0.029 8.102 1.00 0.00 C ATOM 1912 CD GLN A 117 6.572 -0.140 9.127 1.00 0.00 C ATOM 1913 OE1 GLN A 117 7.048 0.810 9.726 1.00 0.00 O ATOM 1914 NE2 GLN A 117 6.969 -1.398 9.292 1.00 0.00 N ATOM 0 H GLN A 117 3.392 0.946 6.394 1.00 0.00 H new ATOM 0 HA GLN A 117 3.319 2.682 8.607 1.00 0.00 H new ATOM 0 HB2 GLN A 117 4.434 0.939 9.775 1.00 0.00 H new ATOM 0 HB3 GLN A 117 3.360 0.160 8.630 1.00 0.00 H new ATOM 0 HG2 GLN A 117 5.126 -0.949 7.745 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.820 0.577 7.236 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.527 -2.146 8.758 1.00 0.00 H new ATOM 0 HE22 GLN A 117 7.715 -1.615 9.953 1.00 0.00 H new ATOM 1923 N LYS A 118 5.767 3.152 6.697 1.00 0.00 N ATOM 1924 CA LYS A 118 6.990 3.901 6.466 1.00 0.00 C ATOM 1925 C LYS A 118 6.664 5.394 6.395 1.00 0.00 C ATOM 1926 O LYS A 118 7.002 6.150 7.304 1.00 0.00 O ATOM 1927 CB LYS A 118 7.717 3.371 5.228 1.00 0.00 C ATOM 1928 CG LYS A 118 8.672 2.234 5.597 1.00 0.00 C ATOM 1929 CD LYS A 118 9.888 2.217 4.669 1.00 0.00 C ATOM 1930 CE LYS A 118 11.134 1.724 5.408 1.00 0.00 C ATOM 1931 NZ LYS A 118 11.547 2.703 6.439 1.00 0.00 N ATOM 0 H LYS A 118 5.292 2.839 5.850 1.00 0.00 H new ATOM 0 HA LYS A 118 7.682 3.765 7.297 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.989 3.017 4.498 1.00 0.00 H new ATOM 0 HB3 LYS A 118 8.274 4.180 4.755 1.00 0.00 H new ATOM 0 HG2 LYS A 118 9.000 2.350 6.630 1.00 0.00 H new ATOM 0 HG3 LYS A 118 8.149 1.280 5.534 1.00 0.00 H new ATOM 0 HD2 LYS A 118 9.689 1.571 3.814 1.00 0.00 H new ATOM 0 HD3 LYS A 118 10.065 3.219 4.277 1.00 0.00 H new ATOM 0 HE2 LYS A 118 10.930 0.760 5.874 1.00 0.00 H new ATOM 0 HE3 LYS A 118 11.947 1.569 4.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 12.573 2.633 6.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 11.309 3.664 6.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 11.049 2.500 7.329 1.00 0.00 H new ATOM 1945 N MET A 119 6.010 5.774 5.307 1.00 0.00 N ATOM 1946 CA MET A 119 5.634 7.163 5.106 1.00 0.00 C ATOM 1947 C MET A 119 4.274 7.460 5.740 1.00 0.00 C ATOM 1948 O MET A 119 4.182 8.250 6.679 1.00 0.00 O ATOM 1949 CB MET A 119 5.576 7.464 3.607 1.00 0.00 C ATOM 1950 CG MET A 119 6.273 8.788 3.286 1.00 0.00 C ATOM 1951 SD MET A 119 8.043 8.583 3.380 1.00 0.00 S ATOM 1952 CE MET A 119 8.479 10.062 4.281 1.00 0.00 C ATOM 0 H MET A 119 5.731 5.144 4.555 1.00 0.00 H new ATOM 0 HA MET A 119 6.382 7.796 5.584 1.00 0.00 H new ATOM 0 HB2 MET A 119 6.051 6.655 3.051 1.00 0.00 H new ATOM 0 HB3 MET A 119 4.537 7.508 3.281 1.00 0.00 H new ATOM 0 HG2 MET A 119 5.990 9.125 2.289 1.00 0.00 H new ATOM 0 HG3 MET A 119 5.950 9.558 3.987 1.00 0.00 H new ATOM 0 HE1 MET A 119 9.559 10.093 4.428 1.00 0.00 H new ATOM 0 HE2 MET A 119 8.164 10.939 3.715 1.00 0.00 H new ATOM 0 HE3 MET A 119 7.981 10.058 5.250 1.00 0.00 H new ATOM 1962 N ILE A 120 3.252 6.811 5.203 1.00 0.00 N ATOM 1963 CA ILE A 120 1.901 6.996 5.705 1.00 0.00 C ATOM 1964 C ILE A 120 1.946 7.178 7.223 1.00 0.00 C ATOM 1965 O ILE A 120 1.480 8.189 7.745 1.00 0.00 O ATOM 1966 CB ILE A 120 0.998 5.847 5.250 1.00 0.00 C ATOM 1967 CG1 ILE A 120 0.504 6.072 3.819 1.00 0.00 C ATOM 1968 CG2 ILE A 120 -0.158 5.637 6.230 1.00 0.00 C ATOM 1969 CD1 ILE A 120 1.649 6.513 2.906 1.00 0.00 C ATOM 0 H ILE A 120 3.332 6.156 4.425 1.00 0.00 H new ATOM 0 HA ILE A 120 1.461 7.902 5.288 1.00 0.00 H new ATOM 0 HB ILE A 120 1.587 4.930 5.247 1.00 0.00 H new ATOM 0 HG12 ILE A 120 0.061 5.153 3.435 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -0.280 6.829 3.816 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -0.784 4.815 5.883 1.00 0.00 H new ATOM 0 HG22 ILE A 120 0.240 5.399 7.216 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -0.754 6.547 6.290 1.00 0.00 H new ATOM 0 HD11 ILE A 120 1.270 6.666 1.895 1.00 0.00 H new ATOM 0 HD12 ILE A 120 2.074 7.445 3.279 1.00 0.00 H new ATOM 0 HD13 ILE A 120 2.420 5.743 2.892 1.00 0.00 H new ATOM 1981 N HIS A 121 2.512 6.182 7.890 1.00 0.00 N ATOM 1982 CA HIS A 121 2.624 6.219 9.338 1.00 0.00 C ATOM 1983 C HIS A 121 3.010 7.630 9.787 1.00 0.00 C ATOM 1984 O HIS A 121 2.320 8.236 10.604 1.00 0.00 O ATOM 1985 CB HIS A 121 3.600 5.151 9.835 1.00 0.00 C ATOM 1986 CG HIS A 121 3.115 4.393 11.048 1.00 0.00 C ATOM 1987 ND1 HIS A 121 3.082 4.948 12.315 1.00 0.00 N ATOM 1988 CD2 HIS A 121 2.643 3.119 11.173 1.00 0.00 C ATOM 1989 CE1 HIS A 121 2.611 4.040 13.158 1.00 0.00 C ATOM 1990 NE2 HIS A 121 2.340 2.907 12.448 1.00 0.00 N ATOM 0 H HIS A 121 2.898 5.345 7.454 1.00 0.00 H new ATOM 0 HA HIS A 121 1.659 5.983 9.787 1.00 0.00 H new ATOM 0 HB2 HIS A 121 3.789 4.443 9.028 1.00 0.00 H new ATOM 0 HB3 HIS A 121 4.552 5.626 10.072 1.00 0.00 H new ATOM 0 HD1 HIS A 121 3.371 5.895 12.559 1.00 0.00 H new ATOM 0 HD2 HIS A 121 2.534 2.404 10.371 1.00 0.00 H new ATOM 0 HE1 HIS A 121 2.467 4.174 14.220 1.00 0.00 H new ATOM 1998 N GLN A 122 4.113 8.112 9.232 1.00 0.00 N ATOM 1999 CA GLN A 122 4.599 9.440 9.564 1.00 0.00 C ATOM 2000 C GLN A 122 3.427 10.410 9.724 1.00 0.00 C ATOM 2001 O GLN A 122 3.436 11.258 10.615 1.00 0.00 O ATOM 2002 CB GLN A 122 5.587 9.942 8.509 1.00 0.00 C ATOM 2003 CG GLN A 122 6.599 8.854 8.144 1.00 0.00 C ATOM 2004 CD GLN A 122 7.103 8.131 9.395 1.00 0.00 C ATOM 2005 OE1 GLN A 122 6.359 7.478 10.107 1.00 0.00 O ATOM 2006 NE2 GLN A 122 8.404 8.285 9.621 1.00 0.00 N ATOM 0 H GLN A 122 4.684 7.606 8.555 1.00 0.00 H new ATOM 0 HA GLN A 122 5.130 9.384 10.514 1.00 0.00 H new ATOM 0 HB2 GLN A 122 5.044 10.253 7.616 1.00 0.00 H new ATOM 0 HB3 GLN A 122 6.112 10.820 8.886 1.00 0.00 H new ATOM 0 HG2 GLN A 122 6.138 8.136 7.466 1.00 0.00 H new ATOM 0 HG3 GLN A 122 7.441 9.299 7.613 1.00 0.00 H new ATOM 0 HE21 GLN A 122 8.969 8.846 8.984 1.00 0.00 H new ATOM 0 HE22 GLN A 122 8.837 7.842 10.432 1.00 0.00 H new ATOM 2015 N HIS A 123 2.447 10.253 8.847 1.00 0.00 N ATOM 2016 CA HIS A 123 1.270 11.105 8.879 1.00 0.00 C ATOM 2017 C HIS A 123 0.861 11.359 10.331 1.00 0.00 C ATOM 2018 O HIS A 123 0.604 12.499 10.717 1.00 0.00 O ATOM 2019 CB HIS A 123 0.140 10.502 8.041 1.00 0.00 C ATOM 2020 CG HIS A 123 -0.964 11.477 7.708 1.00 0.00 C ATOM 2021 ND1 HIS A 123 -0.923 12.306 6.601 1.00 0.00 N ATOM 2022 CD2 HIS A 123 -2.139 11.745 8.347 1.00 0.00 C ATOM 2023 CE1 HIS A 123 -2.029 13.036 6.584 1.00 0.00 C ATOM 2024 NE2 HIS A 123 -2.780 12.688 7.667 1.00 0.00 N ATOM 0 H HIS A 123 2.443 9.548 8.110 1.00 0.00 H new ATOM 0 HA HIS A 123 1.502 12.070 8.429 1.00 0.00 H new ATOM 0 HB2 HIS A 123 0.558 10.111 7.113 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -0.287 9.656 8.580 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -2.488 11.271 9.252 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -2.290 13.777 5.842 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -3.686 13.087 7.914 1.00 0.00 H new ATOM 2032 N LEU A 124 0.812 10.279 11.097 1.00 0.00 N ATOM 2033 CA LEU A 124 0.438 10.371 12.498 1.00 0.00 C ATOM 2034 C LEU A 124 1.421 11.291 13.224 1.00 0.00 C ATOM 2035 O LEU A 124 1.011 12.227 13.909 1.00 0.00 O ATOM 2036 CB LEU A 124 0.329 8.976 13.116 1.00 0.00 C ATOM 2037 CG LEU A 124 -1.086 8.412 13.256 1.00 0.00 C ATOM 2038 CD1 LEU A 124 -1.870 9.161 14.335 1.00 0.00 C ATOM 2039 CD2 LEU A 124 -1.814 8.418 11.910 1.00 0.00 C ATOM 0 H LEU A 124 1.025 9.335 10.774 1.00 0.00 H new ATOM 0 HA LEU A 124 -0.551 10.817 12.600 1.00 0.00 H new ATOM 0 HB2 LEU A 124 0.915 8.285 12.510 1.00 0.00 H new ATOM 0 HB3 LEU A 124 0.788 9.002 14.104 1.00 0.00 H new ATOM 0 HG LEU A 124 -1.010 7.373 13.576 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -2.872 8.740 14.414 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -1.358 9.061 15.292 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -1.939 10.216 14.069 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -2.818 8.012 12.037 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -1.881 9.440 11.537 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -1.263 7.806 11.196 1.00 0.00 H new ATOM 2051 N SER A 125 2.700 10.992 13.050 1.00 0.00 N ATOM 2052 CA SER A 125 3.745 11.781 13.681 1.00 0.00 C ATOM 2053 C SER A 125 5.106 11.423 13.079 1.00 0.00 C ATOM 2054 O SER A 125 5.667 12.195 12.303 1.00 0.00 O ATOM 2055 CB SER A 125 3.761 11.564 15.195 1.00 0.00 C ATOM 2056 OG SER A 125 3.574 12.781 15.911 1.00 0.00 O ATOM 0 H SER A 125 3.036 10.215 12.482 1.00 0.00 H new ATOM 0 HA SER A 125 3.538 12.835 13.495 1.00 0.00 H new ATOM 0 HB2 SER A 125 2.976 10.858 15.468 1.00 0.00 H new ATOM 0 HB3 SER A 125 4.710 11.114 15.487 1.00 0.00 H new ATOM 0 HG SER A 125 3.589 12.600 16.874 1.00 0.00 H new ATOM 2062 N SER A 126 5.596 10.253 13.460 1.00 0.00 N ATOM 2063 CA SER A 126 6.880 9.784 12.968 1.00 0.00 C ATOM 2064 C SER A 126 7.054 8.298 13.291 1.00 0.00 C ATOM 2065 O SER A 126 6.174 7.683 13.892 1.00 0.00 O ATOM 2066 CB SER A 126 8.030 10.595 13.568 1.00 0.00 C ATOM 2067 OG SER A 126 8.817 11.230 12.564 1.00 0.00 O ATOM 0 H SER A 126 5.127 9.616 14.104 1.00 0.00 H new ATOM 0 HA SER A 126 6.901 9.919 11.887 1.00 0.00 H new ATOM 0 HB2 SER A 126 7.627 11.349 14.244 1.00 0.00 H new ATOM 0 HB3 SER A 126 8.664 9.939 14.164 1.00 0.00 H new ATOM 0 HG SER A 126 9.539 11.739 12.988 1.00 0.00 H new ATOM 2073 N ARG A 127 8.194 7.765 12.878 1.00 0.00 N ATOM 2074 CA ARG A 127 8.494 6.363 13.116 1.00 0.00 C ATOM 2075 C ARG A 127 8.810 6.132 14.595 1.00 0.00 C ATOM 2076 O ARG A 127 9.049 7.082 15.338 1.00 0.00 O ATOM 2077 CB ARG A 127 9.682 5.902 12.269 1.00 0.00 C ATOM 2078 CG ARG A 127 9.887 4.391 12.388 1.00 0.00 C ATOM 2079 CD ARG A 127 10.755 3.863 11.244 1.00 0.00 C ATOM 2080 NE ARG A 127 12.187 3.984 11.598 1.00 0.00 N ATOM 2081 CZ ARG A 127 12.921 5.087 11.397 1.00 0.00 C ATOM 2082 NH1 ARG A 127 12.362 6.171 10.842 1.00 0.00 N ATOM 2083 NH2 ARG A 127 14.213 5.105 11.749 1.00 0.00 N ATOM 0 H ARG A 127 8.921 8.278 12.380 1.00 0.00 H new ATOM 0 HA ARG A 127 7.615 5.783 12.834 1.00 0.00 H new ATOM 0 HB2 ARG A 127 9.514 6.169 11.226 1.00 0.00 H new ATOM 0 HB3 ARG A 127 10.585 6.421 12.590 1.00 0.00 H new ATOM 0 HG2 ARG A 127 10.358 4.159 13.343 1.00 0.00 H new ATOM 0 HG3 ARG A 127 8.920 3.887 12.378 1.00 0.00 H new ATOM 0 HD2 ARG A 127 10.509 2.821 11.041 1.00 0.00 H new ATOM 0 HD3 ARG A 127 10.549 4.423 10.332 1.00 0.00 H new ATOM 0 HE ARG A 127 12.644 3.177 12.022 1.00 0.00 H new ATOM 0 HH11 ARG A 127 11.378 6.156 10.573 1.00 0.00 H new ATOM 0 HH12 ARG A 127 12.920 7.011 10.689 1.00 0.00 H new ATOM 0 HH21 ARG A 127 14.638 4.279 12.170 1.00 0.00 H new ATOM 0 HH22 ARG A 127 14.772 5.945 11.596 1.00 0.00 H new ATOM 2097 N THR A 128 8.802 4.863 14.977 1.00 0.00 N ATOM 2098 CA THR A 128 9.086 4.495 16.354 1.00 0.00 C ATOM 2099 C THR A 128 10.578 4.651 16.651 1.00 0.00 C ATOM 2100 O THR A 128 11.379 3.785 16.300 1.00 0.00 O ATOM 2101 CB THR A 128 8.567 3.073 16.580 1.00 0.00 C ATOM 2102 OG1 THR A 128 7.152 3.228 16.651 1.00 0.00 O ATOM 2103 CG2 THR A 128 8.951 2.521 17.954 1.00 0.00 C ATOM 0 H THR A 128 8.603 4.077 14.357 1.00 0.00 H new ATOM 0 HA THR A 128 8.577 5.158 17.053 1.00 0.00 H new ATOM 0 HB THR A 128 8.958 2.416 15.803 1.00 0.00 H new ATOM 0 HG1 THR A 128 6.734 2.353 16.795 1.00 0.00 H new ATOM 0 HG21 THR A 128 8.558 1.510 18.063 1.00 0.00 H new ATOM 0 HG22 THR A 128 10.037 2.501 18.047 1.00 0.00 H new ATOM 0 HG23 THR A 128 8.532 3.159 18.732 1.00 0.00 H new ATOM 2111 N HIS A 129 10.908 5.761 17.296 1.00 0.00 N ATOM 2112 CA HIS A 129 12.290 6.041 17.644 1.00 0.00 C ATOM 2113 C HIS A 129 12.878 4.853 18.409 1.00 0.00 C ATOM 2114 O HIS A 129 12.150 3.947 18.810 1.00 0.00 O ATOM 2115 CB HIS A 129 12.399 7.356 18.418 1.00 0.00 C ATOM 2116 CG HIS A 129 11.927 7.268 19.850 1.00 0.00 C ATOM 2117 ND1 HIS A 129 10.604 7.040 20.190 1.00 0.00 N ATOM 2118 CD2 HIS A 129 12.613 7.377 21.023 1.00 0.00 C ATOM 2119 CE1 HIS A 129 10.511 7.017 21.511 1.00 0.00 C ATOM 2120 NE2 HIS A 129 11.756 7.227 22.026 1.00 0.00 N ATOM 0 H HIS A 129 10.242 6.477 17.586 1.00 0.00 H new ATOM 0 HA HIS A 129 12.878 6.171 16.736 1.00 0.00 H new ATOM 0 HB2 HIS A 129 13.438 7.686 18.408 1.00 0.00 H new ATOM 0 HB3 HIS A 129 11.817 8.119 17.901 1.00 0.00 H new ATOM 0 HD2 HIS A 129 13.674 7.555 21.120 1.00 0.00 H new ATOM 0 HE1 HIS A 129 9.607 6.859 22.081 1.00 0.00 H new ATOM 0 HE2 HIS A 129 11.990 7.263 23.018 1.00 0.00 H new ATOM 2128 N GLY A 130 14.190 4.896 18.587 1.00 0.00 N ATOM 2129 CA GLY A 130 14.884 3.835 19.296 1.00 0.00 C ATOM 2130 C GLY A 130 15.081 2.612 18.398 1.00 0.00 C ATOM 2131 O GLY A 130 14.781 2.659 17.206 1.00 0.00 O ATOM 0 H GLY A 130 14.791 5.649 18.252 1.00 0.00 H new ATOM 0 HA2 GLY A 130 15.853 4.197 19.641 1.00 0.00 H new ATOM 0 HA3 GLY A 130 14.315 3.552 20.182 1.00 0.00 H new ATOM 2135 N SER A 131 15.583 1.546 19.004 1.00 0.00 N ATOM 2136 CA SER A 131 15.823 0.314 18.273 1.00 0.00 C ATOM 2137 C SER A 131 14.853 -0.771 18.745 1.00 0.00 C ATOM 2138 O SER A 131 14.313 -0.690 19.847 1.00 0.00 O ATOM 2139 CB SER A 131 17.269 -0.156 18.445 1.00 0.00 C ATOM 2140 OG SER A 131 17.968 -0.197 17.204 1.00 0.00 O ATOM 0 H SER A 131 15.830 1.510 19.993 1.00 0.00 H new ATOM 0 HA SER A 131 15.656 0.507 17.213 1.00 0.00 H new ATOM 0 HB2 SER A 131 17.788 0.513 19.132 1.00 0.00 H new ATOM 0 HB3 SER A 131 17.277 -1.147 18.898 1.00 0.00 H new ATOM 0 HG SER A 131 18.887 -0.500 17.356 1.00 0.00 H new ATOM 2146 N GLU A 132 14.660 -1.762 17.886 1.00 0.00 N ATOM 2147 CA GLU A 132 13.765 -2.862 18.201 1.00 0.00 C ATOM 2148 C GLU A 132 14.087 -4.076 17.328 1.00 0.00 C ATOM 2149 O GLU A 132 14.539 -5.104 17.830 1.00 0.00 O ATOM 2150 CB GLU A 132 12.303 -2.442 18.039 1.00 0.00 C ATOM 2151 CG GLU A 132 12.172 -1.282 17.050 1.00 0.00 C ATOM 2152 CD GLU A 132 10.851 -1.362 16.282 1.00 0.00 C ATOM 2153 OE1 GLU A 132 9.801 -1.386 16.959 1.00 0.00 O ATOM 2154 OE2 GLU A 132 10.922 -1.397 15.034 1.00 0.00 O ATOM 0 H GLU A 132 15.109 -1.826 16.972 1.00 0.00 H new ATOM 0 HA GLU A 132 13.916 -3.140 19.244 1.00 0.00 H new ATOM 0 HB2 GLU A 132 11.714 -3.290 17.690 1.00 0.00 H new ATOM 0 HB3 GLU A 132 11.896 -2.147 19.006 1.00 0.00 H new ATOM 0 HG2 GLU A 132 12.228 -0.335 17.586 1.00 0.00 H new ATOM 0 HG3 GLU A 132 13.006 -1.302 16.349 1.00 0.00 H new ATOM 2161 N ASP A 133 13.843 -3.917 16.035 1.00 0.00 N ATOM 2162 CA ASP A 133 14.102 -4.987 15.087 1.00 0.00 C ATOM 2163 C ASP A 133 14.711 -4.398 13.813 1.00 0.00 C ATOM 2164 O ASP A 133 14.389 -3.275 13.429 1.00 0.00 O ATOM 2165 CB ASP A 133 12.808 -5.707 14.703 1.00 0.00 C ATOM 2166 CG ASP A 133 12.938 -7.222 14.530 1.00 0.00 C ATOM 2167 OD1 ASP A 133 13.923 -7.772 15.067 1.00 0.00 O ATOM 2168 OD2 ASP A 133 12.049 -7.795 13.863 1.00 0.00 O ATOM 0 H ASP A 133 13.469 -3.063 15.622 1.00 0.00 H new ATOM 0 HA ASP A 133 14.784 -5.696 15.557 1.00 0.00 H new ATOM 0 HB2 ASP A 133 12.058 -5.507 15.468 1.00 0.00 H new ATOM 0 HB3 ASP A 133 12.435 -5.281 13.772 1.00 0.00 H new ATOM 2173 N SER A 134 15.581 -5.182 13.194 1.00 0.00 N ATOM 2174 CA SER A 134 16.238 -4.752 11.972 1.00 0.00 C ATOM 2175 C SER A 134 17.142 -5.868 11.443 1.00 0.00 C ATOM 2176 O SER A 134 18.341 -5.883 11.718 1.00 0.00 O ATOM 2177 CB SER A 134 17.050 -3.476 12.202 1.00 0.00 C ATOM 2178 OG SER A 134 16.330 -2.308 11.818 1.00 0.00 O ATOM 0 H SER A 134 15.846 -6.113 13.516 1.00 0.00 H new ATOM 0 HA SER A 134 15.470 -4.533 11.230 1.00 0.00 H new ATOM 0 HB2 SER A 134 17.322 -3.404 13.255 1.00 0.00 H new ATOM 0 HB3 SER A 134 17.980 -3.531 11.636 1.00 0.00 H new ATOM 0 HG SER A 134 15.461 -2.295 12.271 1.00 0.00 H new TER 2184 SER A 134