USER MOD reduce.3.24.130724 H: found=0, std=0, add=1128, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1126 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: B 61 LYS NZ :NH3+ -168:sc= 0 (180deg=0) USER MOD Set 1.2: B 65 LYS NZ :NH3+ 163:sc=-0.00254 (180deg=0) USER MOD Set 2.1: A 27 LYS NZ :NH3+ -153:sc= -0.0435 (180deg=-0.908) USER MOD Set 2.2: B 43 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: B 34 HIS : no HD1:sc= -5.69! C(o=-5.7!,f=-7.1!) USER MOD Set 4.1: A 29 LYS NZ :NH3+ -132:sc= 0.235 (180deg=0) USER MOD Set 4.2: B 24 GLN :FLIP amide:sc= 0.203 F(o=-1.6,f=0.44) USER MOD Set 5.1: B 16 GLN : amide:sc= -4.64! C(o=-5.5!,f=-20!) USER MOD Set 5.2: B 56 SER OG : rot 180:sc= -0.857 USER MOD Set 6.1: A 16 GLN : amide:sc= -2.16! C(o=-2.2!,f=-5.3!) USER MOD Set 6.2: A 56 SER OG : rot 180:sc= -0.0768 USER MOD Set 7.1: A 46 ASN :FLIP amide:sc= -3! C(o=-5!,f=-3.1!) USER MOD Set 7.2: A 48 GLN : amide:sc= -0.112 K(o=-3.1,f=-3.8) USER MOD Set 8.1: A 30 SER OG : rot 141:sc= 0.925 USER MOD Set 8.2: B 66 MET CE :methyl -144:sc= -4.02! (180deg=-8.4!) USER MOD Set 9.1: A 24 GLN :FLIP amide:sc= -1.1 F(o=-2.7,f=-2) USER MOD Set 9.2: A 25 SER OG : rot 170:sc= -0.923 USER MOD Set10.1: A 14 THR OG1 : rot 180:sc= 0 USER MOD Set10.2: A 53 ASN : amide:sc= -0.0325 K(o=-0.032,f=-0.94) USER MOD Single : A 5 THR OG1 : rot 36:sc= 0.42 USER MOD Single : A 10 GLN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.306 K(o=-0.31,f=-2.5!) USER MOD Single : A 19 HIS : no HD1:sc= -1.84 K(o=-1.8,f=-2.8!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.697 X(o=-0.7,f=-0.98) USER MOD Single : A 34 HIS : no HD1:sc= -4.7! C(o=-4.7!,f=-5.9!) USER MOD Single : A 37 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.17) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -170:sc= -1.59 (180deg=-1.92) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.0823) USER MOD Single : A 66 MET CE :methyl -156:sc= -4.53! (180deg=-7.98!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.105 X(o=-0.1,f=-0.46) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.179 K(o=-0.18,f=-0.81) USER MOD Single : B 5 THR OG1 : rot -36:sc= 0.442 USER MOD Single : B 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 13 GLN : amide:sc= -0.166 K(o=-0.17,f=-1.4!) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= -0.429 X(o=-0.43,f=-0.038) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0.0804 (180deg=0.0804) USER MOD Single : B 22 ASN : amide:sc= -4.45! C(o=-4.4!,f=-5.8!) USER MOD Single : B 25 SER OG : rot 180:sc= -0.873 USER MOD Single : B 27 LYS NZ :NH3+ 164:sc= -0.0845 (180deg=-0.498) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 37 GLN :FLIP amide:sc= -1.56 F(o=-3.7,f=-1.6) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 LYS NZ :NH3+ 141:sc= -1.28 (180deg=-3.5!) USER MOD Single : B 46 ASN : amide:sc= -2.84! C(o=-2.8!,f=-3.2!) USER MOD Single : B 48 GLN : amide:sc= -0.0177 X(o=-0.018,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 ASN : amide:sc= -2.48 K(o=-2.5,f=-5.2!) USER MOD Single : B 58 MET CE :methyl -179:sc= 0 (180deg=-0.00618) USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 ASN : amide:sc= -1.49 K(o=-1.5,f=-7!) USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 SER OG : rot 180:sc= 0 USER MOD Single : B 73 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 5 -11.736 -17.483 -16.036 1.00 0.00 N ATOM 2 CA THR A 5 -11.320 -16.590 -14.968 1.00 0.00 C ATOM 3 C THR A 5 -10.459 -17.341 -13.950 1.00 0.00 C ATOM 4 O THR A 5 -10.878 -17.554 -12.814 1.00 0.00 O ATOM 5 CB THR A 5 -12.577 -15.966 -14.357 1.00 0.00 C ATOM 6 OG1 THR A 5 -13.250 -15.382 -15.469 1.00 0.00 O ATOM 7 CG2 THR A 5 -12.258 -14.777 -13.449 1.00 0.00 C ATOM 0 HA THR A 5 -10.691 -15.785 -15.348 1.00 0.00 H new ATOM 0 HB THR A 5 -13.118 -16.722 -13.788 1.00 0.00 H new ATOM 0 HG1 THR A 5 -13.130 -15.949 -16.259 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.184 -14.371 -13.042 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.615 -15.105 -12.632 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.747 -14.006 -14.025 1.00 0.00 H new ATOM 15 N GLU A 6 -9.270 -17.721 -14.395 1.00 0.00 N ATOM 16 CA GLU A 6 -8.346 -18.443 -13.537 1.00 0.00 C ATOM 17 C GLU A 6 -7.095 -17.602 -13.278 1.00 0.00 C ATOM 18 O GLU A 6 -6.091 -17.745 -13.974 1.00 0.00 O ATOM 19 CB GLU A 6 -7.979 -19.798 -14.145 1.00 0.00 C ATOM 20 CG GLU A 6 -7.492 -20.769 -13.068 1.00 0.00 C ATOM 21 CD GLU A 6 -8.672 -21.429 -12.350 1.00 0.00 C ATOM 22 OE1 GLU A 6 -9.489 -22.055 -13.060 1.00 0.00 O ATOM 23 OE2 GLU A 6 -8.730 -21.292 -11.109 1.00 0.00 O ATOM 0 H GLU A 6 -8.925 -17.542 -15.338 1.00 0.00 H new ATOM 0 HA GLU A 6 -8.838 -18.631 -12.583 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.846 -20.219 -14.654 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.202 -19.664 -14.897 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -6.863 -21.535 -13.522 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.874 -20.236 -12.345 1.00 0.00 H new ATOM 30 N LEU A 7 -7.196 -16.743 -12.274 1.00 0.00 N ATOM 31 CA LEU A 7 -6.085 -15.879 -11.913 1.00 0.00 C ATOM 32 C LEU A 7 -5.428 -16.406 -10.636 1.00 0.00 C ATOM 33 O LEU A 7 -5.978 -17.278 -9.965 1.00 0.00 O ATOM 34 CB LEU A 7 -6.549 -14.425 -11.811 1.00 0.00 C ATOM 35 CG LEU A 7 -7.029 -13.781 -13.113 1.00 0.00 C ATOM 36 CD1 LEU A 7 -8.522 -14.037 -13.333 1.00 0.00 C ATOM 37 CD2 LEU A 7 -6.693 -12.289 -13.143 1.00 0.00 C ATOM 0 H LEU A 7 -8.031 -16.627 -11.699 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.323 -15.893 -12.692 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.359 -14.373 -11.083 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.727 -13.829 -11.416 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.496 -14.248 -13.942 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.838 -13.569 -14.265 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.703 -15.111 -13.387 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.090 -13.614 -12.504 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.045 -11.856 -14.079 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.180 -11.789 -12.306 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.614 -12.157 -13.065 1.00 0.00 H new ATOM 49 N ARG A 8 -4.260 -15.856 -10.339 1.00 0.00 N ATOM 50 CA ARG A 8 -3.522 -16.259 -9.154 1.00 0.00 C ATOM 51 C ARG A 8 -2.976 -15.031 -8.425 1.00 0.00 C ATOM 52 O ARG A 8 -3.631 -13.990 -8.378 1.00 0.00 O ATOM 53 CB ARG A 8 -2.360 -17.186 -9.519 1.00 0.00 C ATOM 54 CG ARG A 8 -2.776 -18.189 -10.596 1.00 0.00 C ATOM 55 CD ARG A 8 -2.143 -19.559 -10.343 1.00 0.00 C ATOM 56 NE ARG A 8 -2.154 -20.360 -11.588 1.00 0.00 N ATOM 57 CZ ARG A 8 -3.200 -21.087 -12.004 1.00 0.00 C ATOM 58 NH1 ARG A 8 -4.325 -21.119 -11.277 1.00 0.00 N ATOM 59 NH2 ARG A 8 -3.120 -21.782 -13.146 1.00 0.00 N ATOM 0 H ARG A 8 -3.806 -15.134 -10.899 1.00 0.00 H new ATOM 0 HA ARG A 8 -4.210 -16.796 -8.501 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.516 -16.595 -9.874 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.023 -17.720 -8.630 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.862 -18.283 -10.610 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.475 -17.821 -11.577 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.119 -19.436 -9.989 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.690 -20.083 -9.559 1.00 0.00 H new ATOM 0 HE ARG A 8 -1.313 -20.358 -12.165 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -4.385 -20.590 -10.407 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.121 -21.672 -11.594 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -2.263 -21.758 -13.699 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.916 -22.336 -13.463 1.00 0.00 H new ATOM 73 N CYS A 9 -1.782 -15.191 -7.873 1.00 0.00 N ATOM 74 CA CYS A 9 -1.140 -14.108 -7.148 1.00 0.00 C ATOM 75 C CYS A 9 -0.168 -13.404 -8.097 1.00 0.00 C ATOM 76 O CYS A 9 0.218 -13.963 -9.122 1.00 0.00 O ATOM 77 CB CYS A 9 -0.441 -14.610 -5.883 1.00 0.00 C ATOM 78 SG CYS A 9 -1.550 -14.901 -4.457 1.00 0.00 S ATOM 0 H CYS A 9 -1.242 -16.055 -7.914 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.894 -13.397 -6.809 1.00 0.00 H new ATOM 0 HB2 CYS A 9 0.079 -15.539 -6.117 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.319 -13.884 -5.592 1.00 0.00 H new ATOM 83 N GLN A 10 0.200 -12.188 -7.720 1.00 0.00 N ATOM 84 CA GLN A 10 1.120 -11.402 -8.525 1.00 0.00 C ATOM 85 C GLN A 10 2.562 -11.647 -8.074 1.00 0.00 C ATOM 86 O GLN A 10 3.500 -11.115 -8.666 1.00 0.00 O ATOM 87 CB GLN A 10 0.771 -9.914 -8.461 1.00 0.00 C ATOM 88 CG GLN A 10 1.734 -9.088 -9.315 1.00 0.00 C ATOM 89 CD GLN A 10 1.058 -7.815 -9.829 1.00 0.00 C ATOM 90 OE1 GLN A 10 0.715 -7.691 -10.993 1.00 0.00 O ATOM 91 NE2 GLN A 10 0.885 -6.881 -8.899 1.00 0.00 N ATOM 0 H GLN A 10 -0.122 -11.728 -6.868 1.00 0.00 H new ATOM 0 HA GLN A 10 1.026 -11.719 -9.564 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.251 -9.761 -8.808 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.811 -9.572 -7.427 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.613 -8.825 -8.727 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.082 -9.685 -10.158 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.196 -7.050 -7.942 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.441 -5.995 -9.142 1.00 0.00 H new ATOM 100 N CYS A 11 2.693 -12.451 -7.029 1.00 0.00 N ATOM 101 CA CYS A 11 4.004 -12.773 -6.492 1.00 0.00 C ATOM 102 C CYS A 11 3.989 -14.230 -6.027 1.00 0.00 C ATOM 103 O CYS A 11 3.060 -14.658 -5.344 1.00 0.00 O ATOM 104 CB CYS A 11 4.403 -11.818 -5.364 1.00 0.00 C ATOM 105 SG CYS A 11 5.964 -10.907 -5.646 1.00 0.00 S ATOM 0 H CYS A 11 1.912 -12.889 -6.540 1.00 0.00 H new ATOM 0 HA CYS A 11 4.758 -12.649 -7.269 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.599 -11.097 -5.216 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.493 -12.388 -4.439 1.00 0.00 H new ATOM 110 N LEU A 12 5.029 -14.953 -6.417 1.00 0.00 N ATOM 111 CA LEU A 12 5.147 -16.354 -6.050 1.00 0.00 C ATOM 112 C LEU A 12 6.096 -16.485 -4.857 1.00 0.00 C ATOM 113 O LEU A 12 6.130 -17.523 -4.198 1.00 0.00 O ATOM 114 CB LEU A 12 5.561 -17.193 -7.260 1.00 0.00 C ATOM 115 CG LEU A 12 4.862 -16.857 -8.579 1.00 0.00 C ATOM 116 CD1 LEU A 12 5.743 -17.224 -9.775 1.00 0.00 C ATOM 117 CD2 LEU A 12 3.486 -17.523 -8.655 1.00 0.00 C ATOM 0 H LEU A 12 5.798 -14.595 -6.984 1.00 0.00 H new ATOM 0 HA LEU A 12 4.181 -16.748 -5.735 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.636 -17.083 -7.403 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.376 -18.242 -7.030 1.00 0.00 H new ATOM 0 HG LEU A 12 4.701 -15.780 -8.616 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.223 -16.975 -10.700 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.678 -16.666 -9.723 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.957 -18.293 -9.755 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.010 -17.268 -9.602 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.601 -18.605 -8.586 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.865 -17.171 -7.831 1.00 0.00 H new ATOM 129 N GLN A 13 6.843 -15.418 -4.615 1.00 0.00 N ATOM 130 CA GLN A 13 7.790 -15.401 -3.514 1.00 0.00 C ATOM 131 C GLN A 13 7.680 -14.086 -2.739 1.00 0.00 C ATOM 132 O GLN A 13 7.011 -13.154 -3.184 1.00 0.00 O ATOM 133 CB GLN A 13 9.218 -15.625 -4.014 1.00 0.00 C ATOM 134 CG GLN A 13 10.044 -16.402 -2.987 1.00 0.00 C ATOM 135 CD GLN A 13 10.366 -17.809 -3.494 1.00 0.00 C ATOM 136 OE1 GLN A 13 10.327 -18.094 -4.679 1.00 0.00 O ATOM 137 NE2 GLN A 13 10.686 -18.670 -2.532 1.00 0.00 N ATOM 0 H GLN A 13 6.811 -14.558 -5.163 1.00 0.00 H new ATOM 0 HA GLN A 13 7.545 -16.220 -2.838 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.195 -16.172 -4.956 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.692 -14.664 -4.215 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.970 -15.866 -2.779 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.495 -16.467 -2.047 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.699 -18.365 -1.559 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.918 -19.635 -2.768 1.00 0.00 H new ATOM 146 N THR A 14 8.347 -14.052 -1.595 1.00 0.00 N ATOM 147 CA THR A 14 8.333 -12.867 -0.755 1.00 0.00 C ATOM 148 C THR A 14 9.601 -12.802 0.098 1.00 0.00 C ATOM 149 O THR A 14 10.321 -13.792 0.223 1.00 0.00 O ATOM 150 CB THR A 14 7.045 -12.888 0.071 1.00 0.00 C ATOM 151 OG1 THR A 14 6.864 -14.263 0.396 1.00 0.00 O ATOM 152 CG2 THR A 14 5.810 -12.536 -0.761 1.00 0.00 C ATOM 0 H THR A 14 8.901 -14.827 -1.230 1.00 0.00 H new ATOM 0 HA THR A 14 8.337 -11.957 -1.355 1.00 0.00 H new ATOM 0 HB THR A 14 7.135 -12.188 0.901 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.051 -14.368 0.933 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.924 -12.565 -0.127 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.925 -11.535 -1.178 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.700 -13.256 -1.572 1.00 0.00 H new ATOM 160 N LEU A 15 9.837 -11.628 0.664 1.00 0.00 N ATOM 161 CA LEU A 15 11.005 -11.421 1.502 1.00 0.00 C ATOM 162 C LEU A 15 10.579 -11.409 2.971 1.00 0.00 C ATOM 163 O LEU A 15 9.388 -11.460 3.276 1.00 0.00 O ATOM 164 CB LEU A 15 11.759 -10.162 1.070 1.00 0.00 C ATOM 165 CG LEU A 15 12.206 -10.116 -0.393 1.00 0.00 C ATOM 166 CD1 LEU A 15 12.121 -8.693 -0.948 1.00 0.00 C ATOM 167 CD2 LEU A 15 13.606 -10.713 -0.557 1.00 0.00 C ATOM 0 H LEU A 15 9.238 -10.809 0.558 1.00 0.00 H new ATOM 0 HA LEU A 15 11.710 -12.244 1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.123 -9.298 1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.641 -10.056 1.702 1.00 0.00 H new ATOM 0 HG LEU A 15 11.523 -10.731 -0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 15 12.444 -8.689 -1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.092 -8.339 -0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 15 12.766 -8.036 -0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.900 -10.668 -1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 15 14.316 -10.145 0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.600 -11.751 -0.226 1.00 0.00 H new ATOM 179 N GLN A 16 11.574 -11.341 3.843 1.00 0.00 N ATOM 180 CA GLN A 16 11.317 -11.321 5.273 1.00 0.00 C ATOM 181 C GLN A 16 11.327 -9.882 5.794 1.00 0.00 C ATOM 182 O GLN A 16 10.870 -9.618 6.905 1.00 0.00 O ATOM 183 CB GLN A 16 12.332 -12.184 6.025 1.00 0.00 C ATOM 184 CG GLN A 16 12.396 -11.792 7.502 1.00 0.00 C ATOM 185 CD GLN A 16 11.033 -11.964 8.175 1.00 0.00 C ATOM 186 OE1 GLN A 16 10.112 -12.549 7.629 1.00 0.00 O ATOM 187 NE2 GLN A 16 10.956 -11.423 9.387 1.00 0.00 N ATOM 0 H GLN A 16 12.560 -11.299 3.587 1.00 0.00 H new ATOM 0 HA GLN A 16 10.328 -11.744 5.451 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.058 -13.235 5.935 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.317 -12.071 5.572 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.138 -12.406 8.013 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.722 -10.756 7.593 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.765 -10.947 9.785 1.00 0.00 H new ATOM 0 HE22 GLN A 16 10.088 -11.484 9.918 1.00 0.00 H new ATOM 196 N GLY A 17 11.852 -8.991 4.967 1.00 0.00 N ATOM 197 CA GLY A 17 11.927 -7.586 5.330 1.00 0.00 C ATOM 198 C GLY A 17 13.334 -7.033 5.093 1.00 0.00 C ATOM 199 O GLY A 17 14.243 -7.279 5.884 1.00 0.00 O ATOM 0 H GLY A 17 12.230 -9.214 4.046 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.205 -7.016 4.745 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.656 -7.463 6.378 1.00 0.00 H new ATOM 203 N ILE A 18 13.469 -6.297 4.000 1.00 0.00 N ATOM 204 CA ILE A 18 14.750 -5.707 3.648 1.00 0.00 C ATOM 205 C ILE A 18 14.805 -4.269 4.169 1.00 0.00 C ATOM 206 O ILE A 18 13.775 -3.690 4.511 1.00 0.00 O ATOM 207 CB ILE A 18 15.000 -5.826 2.143 1.00 0.00 C ATOM 208 CG1 ILE A 18 15.185 -7.288 1.732 1.00 0.00 C ATOM 209 CG2 ILE A 18 16.181 -4.954 1.713 1.00 0.00 C ATOM 210 CD1 ILE A 18 13.835 -7.991 1.581 1.00 0.00 C ATOM 0 H ILE A 18 12.713 -6.095 3.346 1.00 0.00 H new ATOM 0 HA ILE A 18 15.564 -6.251 4.127 1.00 0.00 H new ATOM 0 HB ILE A 18 14.119 -5.454 1.619 1.00 0.00 H new ATOM 0 HG12 ILE A 18 15.732 -7.338 0.791 1.00 0.00 H new ATOM 0 HG13 ILE A 18 15.787 -7.806 2.479 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.337 -5.057 0.639 1.00 0.00 H new ATOM 0 HG22 ILE A 18 15.969 -3.912 1.951 1.00 0.00 H new ATOM 0 HG23 ILE A 18 17.079 -5.271 2.242 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.996 -9.029 1.288 1.00 0.00 H new ATOM 0 HD12 ILE A 18 13.301 -7.960 2.531 1.00 0.00 H new ATOM 0 HD13 ILE A 18 13.245 -7.486 0.816 1.00 0.00 H new ATOM 222 N HIS A 19 16.017 -3.736 4.213 1.00 0.00 N ATOM 223 CA HIS A 19 16.219 -2.377 4.687 1.00 0.00 C ATOM 224 C HIS A 19 15.153 -1.459 4.084 1.00 0.00 C ATOM 225 O HIS A 19 14.845 -1.556 2.897 1.00 0.00 O ATOM 226 CB HIS A 19 17.644 -1.905 4.391 1.00 0.00 C ATOM 227 CG HIS A 19 18.248 -1.054 5.482 1.00 0.00 C ATOM 228 ND1 HIS A 19 19.536 -1.243 5.954 1.00 0.00 N ATOM 229 CD2 HIS A 19 17.729 -0.009 6.188 1.00 0.00 C ATOM 230 CE1 HIS A 19 19.770 -0.347 6.901 1.00 0.00 C ATOM 231 NE2 HIS A 19 18.649 0.416 7.045 1.00 0.00 N ATOM 0 H HIS A 19 16.869 -4.220 3.929 1.00 0.00 H new ATOM 0 HA HIS A 19 16.105 -2.345 5.771 1.00 0.00 H new ATOM 0 HB2 HIS A 19 18.279 -2.777 4.231 1.00 0.00 H new ATOM 0 HB3 HIS A 19 17.642 -1.337 3.461 1.00 0.00 H new ATOM 0 HD2 HIS A 19 16.738 0.403 6.070 1.00 0.00 H new ATOM 0 HE1 HIS A 19 20.687 -0.240 7.461 1.00 0.00 H new ATOM 0 HE2 HIS A 19 18.536 1.187 7.703 1.00 0.00 H new ATOM 239 N LEU A 20 14.620 -0.590 4.930 1.00 0.00 N ATOM 240 CA LEU A 20 13.595 0.344 4.496 1.00 0.00 C ATOM 241 C LEU A 20 14.262 1.608 3.948 1.00 0.00 C ATOM 242 O LEU A 20 13.599 2.622 3.738 1.00 0.00 O ATOM 243 CB LEU A 20 12.602 0.614 5.628 1.00 0.00 C ATOM 244 CG LEU A 20 11.224 1.127 5.204 1.00 0.00 C ATOM 245 CD1 LEU A 20 11.270 2.622 4.883 1.00 0.00 C ATOM 246 CD2 LEU A 20 10.670 0.308 4.036 1.00 0.00 C ATOM 0 H LEU A 20 14.879 -0.513 5.914 1.00 0.00 H new ATOM 0 HA LEU A 20 13.008 -0.085 3.684 1.00 0.00 H new ATOM 0 HB2 LEU A 20 12.466 -0.308 6.193 1.00 0.00 H new ATOM 0 HB3 LEU A 20 13.045 1.342 6.308 1.00 0.00 H new ATOM 0 HG LEU A 20 10.539 0.998 6.042 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.278 2.961 4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.591 3.174 5.766 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.974 2.798 4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.690 0.693 3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.348 0.383 3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.577 -0.736 4.335 1.00 0.00 H new ATOM 258 N LYS A 21 15.565 1.504 3.733 1.00 0.00 N ATOM 259 CA LYS A 21 16.329 2.626 3.214 1.00 0.00 C ATOM 260 C LYS A 21 16.336 2.569 1.685 1.00 0.00 C ATOM 261 O LYS A 21 16.551 3.583 1.023 1.00 0.00 O ATOM 262 CB LYS A 21 17.727 2.656 3.834 1.00 0.00 C ATOM 263 CG LYS A 21 18.620 1.573 3.225 1.00 0.00 C ATOM 264 CD LYS A 21 20.068 1.729 3.694 1.00 0.00 C ATOM 265 CE LYS A 21 20.861 0.441 3.465 1.00 0.00 C ATOM 266 NZ LYS A 21 22.195 0.745 2.903 1.00 0.00 N ATOM 0 H LYS A 21 16.111 0.661 3.909 1.00 0.00 H new ATOM 0 HA LYS A 21 15.860 3.569 3.497 1.00 0.00 H new ATOM 0 HB2 LYS A 21 18.178 3.636 3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 21 17.654 2.509 4.912 1.00 0.00 H new ATOM 0 HG2 LYS A 21 18.247 0.588 3.506 1.00 0.00 H new ATOM 0 HG3 LYS A 21 18.578 1.631 2.137 1.00 0.00 H new ATOM 0 HD2 LYS A 21 20.541 2.552 3.158 1.00 0.00 H new ATOM 0 HD3 LYS A 21 20.085 1.987 4.753 1.00 0.00 H new ATOM 0 HE2 LYS A 21 20.971 -0.097 4.406 1.00 0.00 H new ATOM 0 HE3 LYS A 21 20.315 -0.213 2.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 22.719 -0.141 2.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 22.085 1.239 1.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 22.721 1.351 3.565 1.00 0.00 H new ATOM 280 N ASN A 22 16.098 1.372 1.168 1.00 0.00 N ATOM 281 CA ASN A 22 16.074 1.169 -0.270 1.00 0.00 C ATOM 282 C ASN A 22 14.632 1.272 -0.772 1.00 0.00 C ATOM 283 O ASN A 22 14.379 1.843 -1.832 1.00 0.00 O ATOM 284 CB ASN A 22 16.605 -0.217 -0.640 1.00 0.00 C ATOM 285 CG ASN A 22 18.056 -0.139 -1.117 1.00 0.00 C ATOM 286 OD1 ASN A 22 18.398 0.593 -2.031 1.00 0.00 O ATOM 287 ND2 ASN A 22 18.889 -0.933 -0.450 1.00 0.00 N ATOM 0 H ASN A 22 15.920 0.533 1.720 1.00 0.00 H new ATOM 0 HA ASN A 22 16.705 1.931 -0.728 1.00 0.00 H new ATOM 0 HB2 ASN A 22 16.537 -0.879 0.224 1.00 0.00 H new ATOM 0 HB3 ASN A 22 15.984 -0.651 -1.423 1.00 0.00 H new ATOM 0 HD21 ASN A 22 19.879 -0.953 -0.694 1.00 0.00 H new ATOM 0 HD22 ASN A 22 18.538 -1.521 0.305 1.00 0.00 H new ATOM 294 N ILE A 23 13.725 0.712 0.014 1.00 0.00 N ATOM 295 CA ILE A 23 12.315 0.734 -0.337 1.00 0.00 C ATOM 296 C ILE A 23 11.872 2.181 -0.562 1.00 0.00 C ATOM 297 O ILE A 23 12.190 3.062 0.236 1.00 0.00 O ATOM 298 CB ILE A 23 11.489 -0.006 0.717 1.00 0.00 C ATOM 299 CG1 ILE A 23 11.440 -1.506 0.422 1.00 0.00 C ATOM 300 CG2 ILE A 23 10.089 0.600 0.841 1.00 0.00 C ATOM 301 CD1 ILE A 23 11.679 -2.323 1.693 1.00 0.00 C ATOM 0 H ILE A 23 13.939 0.240 0.893 1.00 0.00 H new ATOM 0 HA ILE A 23 12.147 0.200 -1.272 1.00 0.00 H new ATOM 0 HB ILE A 23 11.980 0.116 1.683 1.00 0.00 H new ATOM 0 HG12 ILE A 23 10.471 -1.765 -0.004 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.194 -1.758 -0.324 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.523 0.056 1.597 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.170 1.647 1.133 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.576 0.529 -0.118 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.639 -3.386 1.455 1.00 0.00 H new ATOM 0 HD12 ILE A 23 12.659 -2.080 2.103 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.909 -2.086 2.428 1.00 0.00 H new ATOM 313 N GLN A 24 11.145 2.381 -1.651 1.00 0.00 N ATOM 314 CA GLN A 24 10.655 3.707 -1.990 1.00 0.00 C ATOM 315 C GLN A 24 9.134 3.766 -1.834 1.00 0.00 C ATOM 316 O GLN A 24 8.567 4.842 -1.645 1.00 0.00 O ATOM 317 CB GLN A 24 11.077 4.101 -3.407 1.00 0.00 C ATOM 318 CG GLN A 24 11.438 5.586 -3.478 1.00 0.00 C ATOM 319 CD GLN A 24 10.205 6.462 -3.245 1.00 0.00 C ATOM 320 OE1 GLN A 24 9.189 6.195 -4.061 1.00 0.00 O flip ATOM 321 NE2 GLN A 24 10.178 7.324 -2.381 1.00 0.00 N flip ATOM 0 H GLN A 24 10.883 1.648 -2.310 1.00 0.00 H new ATOM 0 HA GLN A 24 11.099 4.425 -1.301 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.932 3.500 -3.716 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.267 3.886 -4.105 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.198 5.815 -2.731 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.871 5.813 -4.453 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.994 7.477 -1.788 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.340 7.891 -2.252 1.00 0.00 H new ATOM 330 N SER A 25 8.516 2.597 -1.919 1.00 0.00 N ATOM 331 CA SER A 25 7.072 2.503 -1.790 1.00 0.00 C ATOM 332 C SER A 25 6.672 1.074 -1.418 1.00 0.00 C ATOM 333 O SER A 25 7.451 0.140 -1.600 1.00 0.00 O ATOM 334 CB SER A 25 6.374 2.930 -3.083 1.00 0.00 C ATOM 335 OG SER A 25 7.224 3.715 -3.915 1.00 0.00 O ATOM 0 H SER A 25 8.989 1.707 -2.076 1.00 0.00 H new ATOM 0 HA SER A 25 6.755 3.181 -0.997 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.050 2.044 -3.629 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.478 3.500 -2.840 1.00 0.00 H new ATOM 0 HG SER A 25 6.805 3.832 -4.793 1.00 0.00 H new ATOM 341 N VAL A 26 5.458 0.949 -0.902 1.00 0.00 N ATOM 342 CA VAL A 26 4.945 -0.350 -0.502 1.00 0.00 C ATOM 343 C VAL A 26 3.540 -0.539 -1.079 1.00 0.00 C ATOM 344 O VAL A 26 2.719 0.376 -1.035 1.00 0.00 O ATOM 345 CB VAL A 26 4.988 -0.484 1.021 1.00 0.00 C ATOM 346 CG1 VAL A 26 4.165 -1.685 1.490 1.00 0.00 C ATOM 347 CG2 VAL A 26 6.431 -0.579 1.522 1.00 0.00 C ATOM 0 H VAL A 26 4.815 1.726 -0.752 1.00 0.00 H new ATOM 0 HA VAL A 26 5.571 -1.147 -0.903 1.00 0.00 H new ATOM 0 HB VAL A 26 4.543 0.414 1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.213 -1.757 2.577 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.128 -1.559 1.180 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.567 -2.597 1.048 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.434 -0.674 2.608 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.913 -1.452 1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.976 0.320 1.235 1.00 0.00 H new ATOM 357 N LYS A 27 3.307 -1.732 -1.607 1.00 0.00 N ATOM 358 CA LYS A 27 2.016 -2.052 -2.191 1.00 0.00 C ATOM 359 C LYS A 27 1.512 -3.375 -1.611 1.00 0.00 C ATOM 360 O LYS A 27 2.217 -4.382 -1.648 1.00 0.00 O ATOM 361 CB LYS A 27 2.103 -2.044 -3.719 1.00 0.00 C ATOM 362 CG LYS A 27 0.769 -1.628 -4.342 1.00 0.00 C ATOM 363 CD LYS A 27 -0.264 -2.751 -4.226 1.00 0.00 C ATOM 364 CE LYS A 27 -0.668 -3.269 -5.608 1.00 0.00 C ATOM 365 NZ LYS A 27 -1.333 -2.201 -6.388 1.00 0.00 N ATOM 0 H LYS A 27 3.991 -2.488 -1.642 1.00 0.00 H new ATOM 0 HA LYS A 27 1.281 -1.290 -1.932 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.887 -1.358 -4.039 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.382 -3.035 -4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.395 -0.732 -3.846 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.917 -1.372 -5.391 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.147 -3.568 -3.633 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.145 -2.386 -3.698 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.214 -3.622 -6.142 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.339 -4.121 -5.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.983 -2.629 -7.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.868 -1.583 -5.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.616 -1.640 -6.890 1.00 0.00 H new ATOM 379 N VAL A 28 0.296 -3.330 -1.088 1.00 0.00 N ATOM 380 CA VAL A 28 -0.311 -4.512 -0.500 1.00 0.00 C ATOM 381 C VAL A 28 -1.530 -4.921 -1.330 1.00 0.00 C ATOM 382 O VAL A 28 -2.623 -4.391 -1.136 1.00 0.00 O ATOM 383 CB VAL A 28 -0.648 -4.252 0.969 1.00 0.00 C ATOM 384 CG1 VAL A 28 -1.501 -5.384 1.545 1.00 0.00 C ATOM 385 CG2 VAL A 28 0.623 -4.049 1.796 1.00 0.00 C ATOM 0 H VAL A 28 -0.286 -2.493 -1.059 1.00 0.00 H new ATOM 0 HA VAL A 28 0.388 -5.348 -0.516 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.232 -3.333 1.020 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.726 -5.174 2.591 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.431 -5.461 0.982 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.954 -6.324 1.473 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.355 -3.866 2.836 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.244 -4.942 1.733 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.177 -3.194 1.408 1.00 0.00 H new ATOM 395 N LYS A 29 -1.301 -5.859 -2.237 1.00 0.00 N ATOM 396 CA LYS A 29 -2.367 -6.345 -3.097 1.00 0.00 C ATOM 397 C LYS A 29 -3.081 -7.510 -2.408 1.00 0.00 C ATOM 398 O LYS A 29 -2.742 -8.671 -2.634 1.00 0.00 O ATOM 399 CB LYS A 29 -1.821 -6.691 -4.483 1.00 0.00 C ATOM 400 CG LYS A 29 -2.928 -6.638 -5.538 1.00 0.00 C ATOM 401 CD LYS A 29 -3.717 -7.948 -5.571 1.00 0.00 C ATOM 402 CE LYS A 29 -3.660 -8.587 -6.960 1.00 0.00 C ATOM 403 NZ LYS A 29 -4.855 -8.216 -7.751 1.00 0.00 N ATOM 0 H LYS A 29 -0.393 -6.296 -2.395 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.112 -5.566 -3.259 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.027 -5.994 -4.749 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.378 -7.687 -4.465 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.602 -5.809 -5.322 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.492 -6.447 -6.519 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.312 -8.639 -4.832 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.755 -7.759 -5.296 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.758 -8.263 -7.479 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.601 -9.671 -6.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.262 -9.069 -8.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.561 -7.775 -7.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.583 -7.543 -8.496 1.00 0.00 H new ATOM 417 N SER A 30 -4.056 -7.160 -1.583 1.00 0.00 N ATOM 418 CA SER A 30 -4.820 -8.162 -0.860 1.00 0.00 C ATOM 419 C SER A 30 -5.258 -9.275 -1.814 1.00 0.00 C ATOM 420 O SER A 30 -5.098 -9.156 -3.028 1.00 0.00 O ATOM 421 CB SER A 30 -6.039 -7.538 -0.177 1.00 0.00 C ATOM 422 OG SER A 30 -5.923 -7.556 1.243 1.00 0.00 O ATOM 0 H SER A 30 -4.335 -6.196 -1.399 1.00 0.00 H new ATOM 0 HA SER A 30 -4.181 -8.587 -0.086 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.159 -6.510 -0.518 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.937 -8.079 -0.474 1.00 0.00 H new ATOM 0 HG SER A 30 -6.281 -6.721 1.611 1.00 0.00 H new ATOM 428 N PRO A 31 -5.817 -10.360 -1.214 1.00 0.00 N ATOM 429 CA PRO A 31 -6.279 -11.493 -1.997 1.00 0.00 C ATOM 430 C PRO A 31 -7.593 -11.168 -2.710 1.00 0.00 C ATOM 431 O PRO A 31 -8.194 -10.122 -2.466 1.00 0.00 O ATOM 432 CB PRO A 31 -6.411 -12.633 -1.000 1.00 0.00 C ATOM 433 CG PRO A 31 -6.467 -11.982 0.372 1.00 0.00 C ATOM 434 CD PRO A 31 -6.023 -10.536 0.220 1.00 0.00 C ATOM 0 HA PRO A 31 -5.589 -11.759 -2.798 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.311 -13.218 -1.192 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.565 -13.316 -1.074 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.478 -12.030 0.777 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.818 -12.509 1.071 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.779 -9.848 0.599 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.107 -10.342 0.778 1.00 0.00 H new ATOM 442 N GLY A 32 -8.001 -12.082 -3.578 1.00 0.00 N ATOM 443 CA GLY A 32 -9.233 -11.906 -4.328 1.00 0.00 C ATOM 444 C GLY A 32 -9.937 -13.246 -4.549 1.00 0.00 C ATOM 445 O GLY A 32 -9.656 -14.221 -3.854 1.00 0.00 O ATOM 0 H GLY A 32 -7.500 -12.947 -3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.896 -11.227 -3.791 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.014 -11.443 -5.290 1.00 0.00 H new ATOM 449 N PRO A 33 -10.864 -13.251 -5.545 1.00 0.00 N ATOM 450 CA PRO A 33 -11.611 -14.455 -5.866 1.00 0.00 C ATOM 451 C PRO A 33 -10.737 -15.456 -6.626 1.00 0.00 C ATOM 452 O PRO A 33 -11.205 -16.527 -7.009 1.00 0.00 O ATOM 453 CB PRO A 33 -12.804 -13.974 -6.675 1.00 0.00 C ATOM 454 CG PRO A 33 -12.438 -12.585 -7.172 1.00 0.00 C ATOM 455 CD PRO A 33 -11.223 -12.115 -6.388 1.00 0.00 C ATOM 0 HA PRO A 33 -11.941 -14.995 -4.978 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -13.007 -14.646 -7.509 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.705 -13.945 -6.062 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -12.219 -12.607 -8.239 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -13.272 -11.897 -7.032 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.404 -11.841 -7.053 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.455 -11.235 -5.789 1.00 0.00 H new ATOM 463 N HIS A 34 -9.485 -15.070 -6.821 1.00 0.00 N ATOM 464 CA HIS A 34 -8.542 -15.920 -7.528 1.00 0.00 C ATOM 465 C HIS A 34 -7.457 -16.399 -6.562 1.00 0.00 C ATOM 466 O HIS A 34 -7.184 -17.595 -6.471 1.00 0.00 O ATOM 467 CB HIS A 34 -7.971 -15.199 -8.751 1.00 0.00 C ATOM 468 CG HIS A 34 -7.834 -13.705 -8.574 1.00 0.00 C ATOM 469 ND1 HIS A 34 -8.924 -12.862 -8.448 1.00 0.00 N ATOM 470 CD2 HIS A 34 -6.725 -12.914 -8.501 1.00 0.00 C ATOM 471 CE1 HIS A 34 -8.480 -11.622 -8.308 1.00 0.00 C ATOM 472 NE2 HIS A 34 -7.117 -11.656 -8.342 1.00 0.00 N ATOM 0 H HIS A 34 -9.101 -14.180 -6.502 1.00 0.00 H new ATOM 0 HA HIS A 34 -9.057 -16.803 -7.907 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.992 -15.618 -8.983 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.614 -15.396 -9.609 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.702 -13.254 -8.562 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -9.090 -10.739 -8.188 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.500 -10.848 -8.259 1.00 0.00 H new ATOM 480 N CYS A 35 -6.867 -15.440 -5.863 1.00 0.00 N ATOM 481 CA CYS A 35 -5.818 -15.748 -4.906 1.00 0.00 C ATOM 482 C CYS A 35 -6.333 -15.415 -3.504 1.00 0.00 C ATOM 483 O CYS A 35 -6.784 -14.298 -3.254 1.00 0.00 O ATOM 484 CB CYS A 35 -4.521 -15.003 -5.229 1.00 0.00 C ATOM 485 SG CYS A 35 -3.025 -16.055 -5.283 1.00 0.00 S ATOM 0 H CYS A 35 -7.096 -14.449 -5.941 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.574 -16.809 -4.960 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.634 -14.507 -6.193 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.372 -14.222 -4.484 1.00 0.00 H new ATOM 490 N ALA A 36 -6.249 -16.404 -2.627 1.00 0.00 N ATOM 491 CA ALA A 36 -6.701 -16.231 -1.257 1.00 0.00 C ATOM 492 C ALA A 36 -5.506 -15.874 -0.372 1.00 0.00 C ATOM 493 O ALA A 36 -5.533 -16.105 0.836 1.00 0.00 O ATOM 494 CB ALA A 36 -7.415 -17.501 -0.790 1.00 0.00 C ATOM 0 H ALA A 36 -5.874 -17.329 -2.839 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.417 -15.412 -1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.754 -17.371 0.238 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -8.273 -17.693 -1.434 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.727 -18.345 -0.841 1.00 0.00 H new ATOM 500 N GLN A 37 -4.485 -15.318 -1.007 1.00 0.00 N ATOM 501 CA GLN A 37 -3.281 -14.928 -0.292 1.00 0.00 C ATOM 502 C GLN A 37 -2.899 -13.488 -0.643 1.00 0.00 C ATOM 503 O GLN A 37 -3.271 -12.984 -1.701 1.00 0.00 O ATOM 504 CB GLN A 37 -2.130 -15.890 -0.590 1.00 0.00 C ATOM 505 CG GLN A 37 -2.621 -17.338 -0.627 1.00 0.00 C ATOM 506 CD GLN A 37 -2.823 -17.885 0.788 1.00 0.00 C ATOM 507 OE1 GLN A 37 -1.962 -17.788 1.647 1.00 0.00 O ATOM 508 NE2 GLN A 37 -4.005 -18.464 0.981 1.00 0.00 N ATOM 0 H GLN A 37 -4.466 -15.128 -2.009 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.484 -14.979 0.778 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.674 -15.632 -1.546 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.357 -15.784 0.171 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.559 -17.394 -1.180 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.900 -17.957 -1.160 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.680 -18.511 0.218 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.236 -18.861 1.892 1.00 0.00 H new ATOM 517 N THR A 38 -2.160 -12.868 0.266 1.00 0.00 N ATOM 518 CA THR A 38 -1.723 -11.497 0.066 1.00 0.00 C ATOM 519 C THR A 38 -0.460 -11.461 -0.796 1.00 0.00 C ATOM 520 O THR A 38 0.221 -12.473 -0.949 1.00 0.00 O ATOM 521 CB THR A 38 -1.539 -10.854 1.441 1.00 0.00 C ATOM 522 OG1 THR A 38 -2.744 -11.165 2.135 1.00 0.00 O ATOM 523 CG2 THR A 38 -1.531 -9.325 1.377 1.00 0.00 C ATOM 0 H THR A 38 -1.853 -13.290 1.142 1.00 0.00 H new ATOM 0 HA THR A 38 -2.469 -10.920 -0.481 1.00 0.00 H new ATOM 0 HB THR A 38 -0.606 -11.204 1.882 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.708 -10.786 3.038 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.397 -8.920 2.380 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.712 -8.992 0.739 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.477 -8.973 0.966 1.00 0.00 H new ATOM 531 N GLU A 39 -0.185 -10.283 -1.337 1.00 0.00 N ATOM 532 CA GLU A 39 0.985 -10.101 -2.180 1.00 0.00 C ATOM 533 C GLU A 39 1.575 -8.704 -1.975 1.00 0.00 C ATOM 534 O GLU A 39 1.342 -7.804 -2.780 1.00 0.00 O ATOM 535 CB GLU A 39 0.643 -10.341 -3.652 1.00 0.00 C ATOM 536 CG GLU A 39 0.325 -11.816 -3.908 1.00 0.00 C ATOM 537 CD GLU A 39 1.440 -12.717 -3.374 1.00 0.00 C ATOM 538 OE1 GLU A 39 2.592 -12.233 -3.336 1.00 0.00 O ATOM 539 OE2 GLU A 39 1.115 -13.870 -3.017 1.00 0.00 O ATOM 0 H GLU A 39 -0.752 -9.445 -1.208 1.00 0.00 H new ATOM 0 HA GLU A 39 1.735 -10.837 -1.891 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.212 -9.727 -3.935 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.480 -10.032 -4.279 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.619 -12.077 -3.429 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.197 -11.984 -4.977 1.00 0.00 H new ATOM 546 N VAL A 40 2.328 -8.568 -0.894 1.00 0.00 N ATOM 547 CA VAL A 40 2.954 -7.296 -0.572 1.00 0.00 C ATOM 548 C VAL A 40 4.119 -7.049 -1.532 1.00 0.00 C ATOM 549 O VAL A 40 5.108 -7.782 -1.516 1.00 0.00 O ATOM 550 CB VAL A 40 3.376 -7.277 0.898 1.00 0.00 C ATOM 551 CG1 VAL A 40 4.264 -6.068 1.198 1.00 0.00 C ATOM 552 CG2 VAL A 40 2.155 -7.303 1.819 1.00 0.00 C ATOM 0 H VAL A 40 2.519 -9.318 -0.229 1.00 0.00 H new ATOM 0 HA VAL A 40 2.246 -6.478 -0.703 1.00 0.00 H new ATOM 0 HB VAL A 40 3.960 -8.177 1.091 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.550 -6.079 2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.160 -6.112 0.578 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.716 -5.151 0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.483 -7.289 2.858 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.533 -6.430 1.623 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.578 -8.209 1.633 1.00 0.00 H new ATOM 562 N ILE A 41 3.965 -6.016 -2.346 1.00 0.00 N ATOM 563 CA ILE A 41 4.992 -5.663 -3.312 1.00 0.00 C ATOM 564 C ILE A 41 5.444 -4.222 -3.065 1.00 0.00 C ATOM 565 O ILE A 41 4.652 -3.290 -3.189 1.00 0.00 O ATOM 566 CB ILE A 41 4.498 -5.917 -4.737 1.00 0.00 C ATOM 567 CG1 ILE A 41 3.952 -7.339 -4.882 1.00 0.00 C ATOM 568 CG2 ILE A 41 5.596 -5.618 -5.760 1.00 0.00 C ATOM 569 CD1 ILE A 41 2.504 -7.322 -5.378 1.00 0.00 C ATOM 0 H ILE A 41 3.144 -5.411 -2.357 1.00 0.00 H new ATOM 0 HA ILE A 41 5.868 -6.299 -3.186 1.00 0.00 H new ATOM 0 HB ILE A 41 3.674 -5.233 -4.940 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.573 -7.901 -5.580 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.005 -7.853 -3.922 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.218 -5.807 -6.765 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.897 -4.574 -5.676 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.456 -6.260 -5.569 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.140 -8.345 -5.473 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.882 -6.780 -4.666 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.458 -6.829 -6.349 1.00 0.00 H new ATOM 581 N ALA A 42 6.716 -4.085 -2.721 1.00 0.00 N ATOM 582 CA ALA A 42 7.283 -2.774 -2.456 1.00 0.00 C ATOM 583 C ALA A 42 8.226 -2.391 -3.599 1.00 0.00 C ATOM 584 O ALA A 42 8.919 -3.244 -4.149 1.00 0.00 O ATOM 585 CB ALA A 42 7.988 -2.787 -1.098 1.00 0.00 C ATOM 0 H ALA A 42 7.370 -4.861 -2.620 1.00 0.00 H new ATOM 0 HA ALA A 42 6.498 -2.019 -2.408 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.413 -1.803 -0.899 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.269 -3.036 -0.317 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.784 -3.531 -1.109 1.00 0.00 H new ATOM 591 N THR A 43 8.220 -1.106 -3.922 1.00 0.00 N ATOM 592 CA THR A 43 9.066 -0.599 -4.989 1.00 0.00 C ATOM 593 C THR A 43 10.408 -0.127 -4.427 1.00 0.00 C ATOM 594 O THR A 43 10.458 0.485 -3.361 1.00 0.00 O ATOM 595 CB THR A 43 8.294 0.500 -5.722 1.00 0.00 C ATOM 596 OG1 THR A 43 7.274 -0.203 -6.426 1.00 0.00 O ATOM 597 CG2 THR A 43 9.122 1.160 -6.827 1.00 0.00 C ATOM 0 H THR A 43 7.643 -0.401 -3.464 1.00 0.00 H new ATOM 0 HA THR A 43 9.308 -1.382 -5.708 1.00 0.00 H new ATOM 0 HB THR A 43 7.974 1.258 -5.007 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.724 0.434 -6.928 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.527 1.932 -7.315 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.015 1.610 -6.393 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.414 0.409 -7.561 1.00 0.00 H new ATOM 605 N LEU A 44 11.463 -0.428 -5.169 1.00 0.00 N ATOM 606 CA LEU A 44 12.803 -0.043 -4.758 1.00 0.00 C ATOM 607 C LEU A 44 13.103 1.367 -5.273 1.00 0.00 C ATOM 608 O LEU A 44 12.582 1.777 -6.309 1.00 0.00 O ATOM 609 CB LEU A 44 13.823 -1.091 -5.205 1.00 0.00 C ATOM 610 CG LEU A 44 14.820 -1.554 -4.140 1.00 0.00 C ATOM 611 CD1 LEU A 44 15.458 -2.888 -4.530 1.00 0.00 C ATOM 612 CD2 LEU A 44 15.869 -0.475 -3.866 1.00 0.00 C ATOM 0 H LEU A 44 11.417 -0.934 -6.053 1.00 0.00 H new ATOM 0 HA LEU A 44 12.873 -0.008 -3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 44 13.281 -1.963 -5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 44 14.384 -0.687 -6.048 1.00 0.00 H new ATOM 0 HG LEU A 44 14.276 -1.717 -3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 44 16.162 -3.194 -3.757 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.682 -3.646 -4.635 1.00 0.00 H new ATOM 0 HD13 LEU A 44 15.986 -2.776 -5.477 1.00 0.00 H new ATOM 0 HD21 LEU A 44 16.565 -0.829 -3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 44 16.415 -0.256 -4.784 1.00 0.00 H new ATOM 0 HD23 LEU A 44 15.376 0.431 -3.513 1.00 0.00 H new ATOM 624 N LYS A 45 13.943 2.068 -4.526 1.00 0.00 N ATOM 625 CA LYS A 45 14.319 3.423 -4.894 1.00 0.00 C ATOM 626 C LYS A 45 15.292 3.375 -6.074 1.00 0.00 C ATOM 627 O LYS A 45 15.687 4.414 -6.600 1.00 0.00 O ATOM 628 CB LYS A 45 14.863 4.176 -3.679 1.00 0.00 C ATOM 629 CG LYS A 45 14.909 5.683 -3.943 1.00 0.00 C ATOM 630 CD LYS A 45 16.334 6.139 -4.265 1.00 0.00 C ATOM 631 CE LYS A 45 16.823 7.170 -3.246 1.00 0.00 C ATOM 632 NZ LYS A 45 17.510 8.289 -3.930 1.00 0.00 N ATOM 0 H LYS A 45 14.374 1.724 -3.668 1.00 0.00 H new ATOM 0 HA LYS A 45 13.445 3.985 -5.224 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.236 3.974 -2.811 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.863 3.814 -3.440 1.00 0.00 H new ATOM 0 HG2 LYS A 45 14.247 5.931 -4.773 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.540 6.220 -3.070 1.00 0.00 H new ATOM 0 HD2 LYS A 45 17.003 5.279 -4.267 1.00 0.00 H new ATOM 0 HD3 LYS A 45 16.365 6.569 -5.266 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.979 7.551 -2.671 1.00 0.00 H new ATOM 0 HE3 LYS A 45 17.503 6.696 -2.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 17.836 8.980 -3.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 18.327 7.923 -4.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.850 8.751 -4.588 1.00 0.00 H new ATOM 646 N ASN A 46 15.650 2.157 -6.455 1.00 0.00 N ATOM 647 CA ASN A 46 16.569 1.960 -7.563 1.00 0.00 C ATOM 648 C ASN A 46 15.775 1.608 -8.822 1.00 0.00 C ATOM 649 O ASN A 46 16.336 1.535 -9.914 1.00 0.00 O ATOM 650 CB ASN A 46 17.537 0.810 -7.277 1.00 0.00 C ATOM 651 CG ASN A 46 17.777 -0.030 -8.534 1.00 0.00 C ATOM 652 OD1 ASN A 46 17.309 -1.272 -8.451 1.00 0.00 O flip ATOM 653 ND2 ASN A 46 18.348 0.420 -9.513 1.00 0.00 N flip ATOM 0 H ASN A 46 15.320 1.297 -6.016 1.00 0.00 H new ATOM 0 HA ASN A 46 17.134 2.882 -7.701 1.00 0.00 H new ATOM 0 HB2 ASN A 46 18.485 1.209 -6.915 1.00 0.00 H new ATOM 0 HB3 ASN A 46 17.134 0.179 -6.485 1.00 0.00 H new ATOM 0 HD21 ASN A 46 18.683 1.384 -9.510 1.00 0.00 H new ATOM 0 HD22 ASN A 46 18.491 -0.167 -10.335 1.00 0.00 H new ATOM 660 N GLY A 47 14.481 1.398 -8.628 1.00 0.00 N ATOM 661 CA GLY A 47 13.604 1.055 -9.734 1.00 0.00 C ATOM 662 C GLY A 47 13.197 -0.419 -9.675 1.00 0.00 C ATOM 663 O GLY A 47 12.379 -0.873 -10.474 1.00 0.00 O ATOM 0 H GLY A 47 14.019 1.459 -7.721 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.714 1.683 -9.705 1.00 0.00 H new ATOM 0 HA3 GLY A 47 14.108 1.259 -10.679 1.00 0.00 H new ATOM 667 N GLN A 48 13.786 -1.124 -8.721 1.00 0.00 N ATOM 668 CA GLN A 48 13.495 -2.537 -8.547 1.00 0.00 C ATOM 669 C GLN A 48 12.282 -2.720 -7.633 1.00 0.00 C ATOM 670 O GLN A 48 11.621 -1.748 -7.270 1.00 0.00 O ATOM 671 CB GLN A 48 14.712 -3.284 -7.998 1.00 0.00 C ATOM 672 CG GLN A 48 15.646 -3.718 -9.130 1.00 0.00 C ATOM 673 CD GLN A 48 16.972 -4.243 -8.576 1.00 0.00 C ATOM 674 OE1 GLN A 48 17.109 -4.540 -7.401 1.00 0.00 O ATOM 675 NE2 GLN A 48 17.937 -4.341 -9.486 1.00 0.00 N ATOM 0 H GLN A 48 14.463 -0.743 -8.060 1.00 0.00 H new ATOM 0 HA GLN A 48 13.258 -2.962 -9.522 1.00 0.00 H new ATOM 0 HB2 GLN A 48 15.253 -2.643 -7.301 1.00 0.00 H new ATOM 0 HB3 GLN A 48 14.383 -4.159 -7.437 1.00 0.00 H new ATOM 0 HG2 GLN A 48 15.165 -4.493 -9.726 1.00 0.00 H new ATOM 0 HG3 GLN A 48 15.834 -2.875 -9.795 1.00 0.00 H new ATOM 0 HE21 GLN A 48 17.754 -4.075 -10.454 1.00 0.00 H new ATOM 0 HE22 GLN A 48 18.860 -4.682 -9.216 1.00 0.00 H new ATOM 684 N LYS A 49 12.025 -3.973 -7.288 1.00 0.00 N ATOM 685 CA LYS A 49 10.902 -4.297 -6.424 1.00 0.00 C ATOM 686 C LYS A 49 11.275 -5.484 -5.534 1.00 0.00 C ATOM 687 O LYS A 49 12.007 -6.377 -5.958 1.00 0.00 O ATOM 688 CB LYS A 49 9.636 -4.523 -7.252 1.00 0.00 C ATOM 689 CG LYS A 49 9.345 -3.318 -8.149 1.00 0.00 C ATOM 690 CD LYS A 49 8.029 -3.504 -8.908 1.00 0.00 C ATOM 691 CE LYS A 49 8.131 -2.945 -10.328 1.00 0.00 C ATOM 692 NZ LYS A 49 7.043 -3.480 -11.176 1.00 0.00 N ATOM 0 H LYS A 49 12.575 -4.777 -7.591 1.00 0.00 H new ATOM 0 HA LYS A 49 10.677 -3.460 -5.763 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.753 -5.417 -7.865 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.790 -4.700 -6.588 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.295 -2.413 -7.543 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.162 -3.182 -8.858 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.775 -4.563 -8.948 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.223 -3.002 -8.373 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.077 -1.857 -10.301 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.098 -3.206 -10.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.128 -3.090 -12.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.112 -4.517 -11.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.123 -3.210 -10.772 1.00 0.00 H new ATOM 706 N ALA A 50 10.754 -5.455 -4.316 1.00 0.00 N ATOM 707 CA ALA A 50 11.023 -6.518 -3.362 1.00 0.00 C ATOM 708 C ALA A 50 9.716 -6.927 -2.679 1.00 0.00 C ATOM 709 O ALA A 50 9.129 -6.144 -1.934 1.00 0.00 O ATOM 710 CB ALA A 50 12.082 -6.050 -2.361 1.00 0.00 C ATOM 0 H ALA A 50 10.147 -4.713 -3.968 1.00 0.00 H new ATOM 0 HA ALA A 50 11.420 -7.398 -3.869 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.284 -6.847 -1.645 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.000 -5.799 -2.893 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.718 -5.170 -1.831 1.00 0.00 H new ATOM 716 N CYS A 51 9.299 -8.153 -2.957 1.00 0.00 N ATOM 717 CA CYS A 51 8.073 -8.676 -2.379 1.00 0.00 C ATOM 718 C CYS A 51 8.336 -9.001 -0.908 1.00 0.00 C ATOM 719 O CYS A 51 9.387 -9.539 -0.565 1.00 0.00 O ATOM 720 CB CYS A 51 7.558 -9.894 -3.150 1.00 0.00 C ATOM 721 SG CYS A 51 6.135 -9.561 -4.251 1.00 0.00 S ATOM 0 H CYS A 51 9.789 -8.800 -3.575 1.00 0.00 H new ATOM 0 HA CYS A 51 7.286 -7.925 -2.449 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.374 -10.300 -3.748 1.00 0.00 H new ATOM 0 HB3 CYS A 51 7.273 -10.665 -2.434 1.00 0.00 H new ATOM 726 N LEU A 52 7.362 -8.661 -0.076 1.00 0.00 N ATOM 727 CA LEU A 52 7.475 -8.909 1.351 1.00 0.00 C ATOM 728 C LEU A 52 6.506 -10.025 1.748 1.00 0.00 C ATOM 729 O LEU A 52 5.610 -10.376 0.981 1.00 0.00 O ATOM 730 CB LEU A 52 7.275 -7.613 2.138 1.00 0.00 C ATOM 731 CG LEU A 52 8.273 -6.490 1.846 1.00 0.00 C ATOM 732 CD1 LEU A 52 7.734 -5.140 2.324 1.00 0.00 C ATOM 733 CD2 LEU A 52 9.644 -6.805 2.447 1.00 0.00 C ATOM 0 H LEU A 52 6.491 -8.216 -0.363 1.00 0.00 H new ATOM 0 HA LEU A 52 8.479 -9.254 1.599 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.270 -7.241 1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.322 -7.846 3.202 1.00 0.00 H new ATOM 0 HG LEU A 52 8.403 -6.421 0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.462 -4.359 2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.799 -4.919 1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.557 -5.179 3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.334 -5.991 2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.551 -6.917 3.527 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.025 -7.731 2.018 1.00 0.00 H new ATOM 745 N ASN A 53 6.719 -10.552 2.944 1.00 0.00 N ATOM 746 CA ASN A 53 5.876 -11.621 3.452 1.00 0.00 C ATOM 747 C ASN A 53 4.729 -11.018 4.265 1.00 0.00 C ATOM 748 O ASN A 53 4.951 -10.450 5.333 1.00 0.00 O ATOM 749 CB ASN A 53 6.666 -12.556 4.371 1.00 0.00 C ATOM 750 CG ASN A 53 5.950 -13.898 4.533 1.00 0.00 C ATOM 751 OD1 ASN A 53 5.324 -14.411 3.621 1.00 0.00 O ATOM 752 ND2 ASN A 53 6.079 -14.437 5.743 1.00 0.00 N ATOM 0 H ASN A 53 7.463 -10.259 3.577 1.00 0.00 H new ATOM 0 HA ASN A 53 5.499 -12.186 2.600 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.663 -12.719 3.961 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.796 -12.089 5.347 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.639 -15.333 5.952 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.618 -13.954 6.462 1.00 0.00 H new ATOM 759 N PRO A 54 3.495 -11.165 3.713 1.00 0.00 N ATOM 760 CA PRO A 54 2.312 -10.641 4.374 1.00 0.00 C ATOM 761 C PRO A 54 1.919 -11.513 5.568 1.00 0.00 C ATOM 762 O PRO A 54 0.755 -11.881 5.717 1.00 0.00 O ATOM 763 CB PRO A 54 1.243 -10.598 3.294 1.00 0.00 C ATOM 764 CG PRO A 54 1.726 -11.528 2.193 1.00 0.00 C ATOM 765 CD PRO A 54 3.193 -11.831 2.449 1.00 0.00 C ATOM 0 HA PRO A 54 2.472 -9.649 4.797 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.279 -10.923 3.685 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.108 -9.584 2.918 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.142 -12.448 2.187 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.597 -11.062 1.216 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.370 -12.905 2.515 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.822 -11.454 1.643 1.00 0.00 H new ATOM 773 N ALA A 55 2.914 -11.820 6.389 1.00 0.00 N ATOM 774 CA ALA A 55 2.687 -12.642 7.565 1.00 0.00 C ATOM 775 C ALA A 55 3.938 -12.621 8.445 1.00 0.00 C ATOM 776 O ALA A 55 4.253 -13.609 9.107 1.00 0.00 O ATOM 777 CB ALA A 55 2.303 -14.058 7.132 1.00 0.00 C ATOM 0 H ALA A 55 3.879 -11.514 6.262 1.00 0.00 H new ATOM 0 HA ALA A 55 1.861 -12.247 8.156 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.133 -14.675 8.014 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.393 -14.021 6.534 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.110 -14.488 6.539 1.00 0.00 H new ATOM 783 N SER A 56 4.619 -11.484 8.424 1.00 0.00 N ATOM 784 CA SER A 56 5.829 -11.321 9.212 1.00 0.00 C ATOM 785 C SER A 56 5.674 -10.139 10.171 1.00 0.00 C ATOM 786 O SER A 56 4.932 -9.199 9.888 1.00 0.00 O ATOM 787 CB SER A 56 7.049 -11.119 8.312 1.00 0.00 C ATOM 788 OG SER A 56 8.023 -10.271 8.915 1.00 0.00 O ATOM 0 H SER A 56 4.355 -10.667 7.873 1.00 0.00 H new ATOM 0 HA SER A 56 5.986 -12.231 9.791 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.499 -12.086 8.089 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.732 -10.688 7.362 1.00 0.00 H new ATOM 0 HG SER A 56 8.787 -10.168 8.310 1.00 0.00 H new ATOM 794 N PRO A 57 6.405 -10.226 11.314 1.00 0.00 N ATOM 795 CA PRO A 57 6.356 -9.175 12.316 1.00 0.00 C ATOM 796 C PRO A 57 7.149 -7.948 11.862 1.00 0.00 C ATOM 797 O PRO A 57 6.853 -6.826 12.272 1.00 0.00 O ATOM 798 CB PRO A 57 6.915 -9.809 13.579 1.00 0.00 C ATOM 799 CG PRO A 57 7.683 -11.039 13.124 1.00 0.00 C ATOM 800 CD PRO A 57 7.294 -11.324 11.682 1.00 0.00 C ATOM 0 HA PRO A 57 5.346 -8.803 12.487 1.00 0.00 H new ATOM 0 HB2 PRO A 57 7.568 -9.115 14.108 1.00 0.00 H new ATOM 0 HB3 PRO A 57 6.114 -10.081 14.267 1.00 0.00 H new ATOM 0 HG2 PRO A 57 8.757 -10.870 13.203 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.447 -11.893 13.759 1.00 0.00 H new ATOM 0 HD2 PRO A 57 8.170 -11.358 11.035 1.00 0.00 H new ATOM 0 HD3 PRO A 57 6.792 -12.287 11.590 1.00 0.00 H new ATOM 808 N MET A 58 8.141 -8.201 11.021 1.00 0.00 N ATOM 809 CA MET A 58 8.978 -7.131 10.507 1.00 0.00 C ATOM 810 C MET A 58 8.316 -6.442 9.312 1.00 0.00 C ATOM 811 O MET A 58 8.690 -5.329 8.947 1.00 0.00 O ATOM 812 CB MET A 58 10.332 -7.702 10.080 1.00 0.00 C ATOM 813 CG MET A 58 11.406 -6.613 10.064 1.00 0.00 C ATOM 814 SD MET A 58 12.538 -6.850 11.424 1.00 0.00 S ATOM 815 CE MET A 58 11.386 -6.851 12.789 1.00 0.00 C ATOM 0 H MET A 58 8.384 -9.132 10.683 1.00 0.00 H new ATOM 0 HA MET A 58 9.117 -6.393 11.297 1.00 0.00 H new ATOM 0 HB2 MET A 58 10.627 -8.498 10.764 1.00 0.00 H new ATOM 0 HB3 MET A 58 10.246 -8.148 9.089 1.00 0.00 H new ATOM 0 HG2 MET A 58 11.949 -6.640 9.119 1.00 0.00 H new ATOM 0 HG3 MET A 58 10.940 -5.630 10.135 1.00 0.00 H new ATOM 0 HE1 MET A 58 11.936 -6.811 13.729 1.00 0.00 H new ATOM 0 HE2 MET A 58 10.732 -5.982 12.714 1.00 0.00 H new ATOM 0 HE3 MET A 58 10.786 -7.761 12.758 1.00 0.00 H new ATOM 825 N VAL A 59 7.343 -7.133 8.736 1.00 0.00 N ATOM 826 CA VAL A 59 6.625 -6.602 7.590 1.00 0.00 C ATOM 827 C VAL A 59 5.597 -5.575 8.069 1.00 0.00 C ATOM 828 O VAL A 59 4.998 -4.867 7.261 1.00 0.00 O ATOM 829 CB VAL A 59 5.999 -7.745 6.788 1.00 0.00 C ATOM 830 CG1 VAL A 59 4.789 -7.257 5.989 1.00 0.00 C ATOM 831 CG2 VAL A 59 7.033 -8.402 5.871 1.00 0.00 C ATOM 0 H VAL A 59 7.035 -8.056 9.042 1.00 0.00 H new ATOM 0 HA VAL A 59 7.310 -6.087 6.916 1.00 0.00 H new ATOM 0 HB VAL A 59 5.651 -8.498 7.495 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.363 -8.089 5.428 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.039 -6.858 6.672 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.101 -6.475 5.297 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.562 -9.211 5.312 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.425 -7.661 5.175 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.849 -8.803 6.472 1.00 0.00 H new ATOM 841 N LYS A 60 5.423 -5.527 9.382 1.00 0.00 N ATOM 842 CA LYS A 60 4.477 -4.599 9.978 1.00 0.00 C ATOM 843 C LYS A 60 5.238 -3.405 10.557 1.00 0.00 C ATOM 844 O LYS A 60 4.638 -2.513 11.156 1.00 0.00 O ATOM 845 CB LYS A 60 3.592 -5.318 10.999 1.00 0.00 C ATOM 846 CG LYS A 60 3.100 -6.658 10.450 1.00 0.00 C ATOM 847 CD LYS A 60 2.006 -6.452 9.400 1.00 0.00 C ATOM 848 CE LYS A 60 0.654 -6.182 10.062 1.00 0.00 C ATOM 849 NZ LYS A 60 -0.040 -7.454 10.362 1.00 0.00 N ATOM 0 H LYS A 60 5.921 -6.116 10.050 1.00 0.00 H new ATOM 0 HA LYS A 60 3.797 -4.208 9.221 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.152 -5.482 11.920 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.738 -4.689 11.253 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.935 -7.203 10.009 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.715 -7.270 11.266 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.271 -5.616 8.753 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.934 -7.336 8.766 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.800 -5.615 10.981 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.036 -5.570 9.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.956 -7.252 10.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.196 -7.981 9.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.544 -8.024 11.007 1.00 0.00 H new ATOM 863 N LYS A 61 6.548 -3.425 10.359 1.00 0.00 N ATOM 864 CA LYS A 61 7.397 -2.355 10.853 1.00 0.00 C ATOM 865 C LYS A 61 8.101 -1.682 9.674 1.00 0.00 C ATOM 866 O LYS A 61 8.650 -0.590 9.815 1.00 0.00 O ATOM 867 CB LYS A 61 8.356 -2.882 11.923 1.00 0.00 C ATOM 868 CG LYS A 61 9.610 -3.484 11.285 1.00 0.00 C ATOM 869 CD LYS A 61 10.786 -2.509 11.362 1.00 0.00 C ATOM 870 CE LYS A 61 12.027 -3.191 11.940 1.00 0.00 C ATOM 871 NZ LYS A 61 13.247 -2.727 11.241 1.00 0.00 N ATOM 0 H LYS A 61 7.042 -4.166 9.863 1.00 0.00 H new ATOM 0 HA LYS A 61 6.797 -1.590 11.345 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.638 -2.071 12.595 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.853 -3.637 12.528 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.870 -4.413 11.792 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.408 -3.734 10.244 1.00 0.00 H new ATOM 0 HD2 LYS A 61 11.009 -2.123 10.367 1.00 0.00 H new ATOM 0 HD3 LYS A 61 10.514 -1.654 11.982 1.00 0.00 H new ATOM 0 HE2 LYS A 61 12.106 -2.973 13.005 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.934 -4.273 11.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.080 -3.200 11.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.176 -2.957 10.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 13.343 -1.698 11.356 1.00 0.00 H new ATOM 885 N ILE A 62 8.063 -2.361 8.537 1.00 0.00 N ATOM 886 CA ILE A 62 8.690 -1.842 7.334 1.00 0.00 C ATOM 887 C ILE A 62 7.672 -1.011 6.550 1.00 0.00 C ATOM 888 O ILE A 62 8.045 -0.223 5.683 1.00 0.00 O ATOM 889 CB ILE A 62 9.312 -2.980 6.521 1.00 0.00 C ATOM 890 CG1 ILE A 62 10.324 -3.764 7.359 1.00 0.00 C ATOM 891 CG2 ILE A 62 9.928 -2.453 5.223 1.00 0.00 C ATOM 892 CD1 ILE A 62 10.353 -5.237 6.946 1.00 0.00 C ATOM 0 H ILE A 62 7.607 -3.267 8.424 1.00 0.00 H new ATOM 0 HA ILE A 62 9.514 -1.176 7.591 1.00 0.00 H new ATOM 0 HB ILE A 62 8.519 -3.674 6.243 1.00 0.00 H new ATOM 0 HG12 ILE A 62 11.316 -3.329 7.238 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.067 -3.684 8.415 1.00 0.00 H new ATOM 0 HG21 ILE A 62 10.363 -3.282 4.664 1.00 0.00 H new ATOM 0 HG22 ILE A 62 9.155 -1.975 4.621 1.00 0.00 H new ATOM 0 HG23 ILE A 62 10.705 -1.726 5.458 1.00 0.00 H new ATOM 0 HD11 ILE A 62 11.080 -5.772 7.557 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.365 -5.675 7.091 1.00 0.00 H new ATOM 0 HD13 ILE A 62 10.634 -5.315 5.896 1.00 0.00 H new ATOM 904 N ILE A 63 6.406 -1.216 6.884 1.00 0.00 N ATOM 905 CA ILE A 63 5.332 -0.496 6.222 1.00 0.00 C ATOM 906 C ILE A 63 4.985 0.753 7.035 1.00 0.00 C ATOM 907 O ILE A 63 5.043 1.869 6.521 1.00 0.00 O ATOM 908 CB ILE A 63 4.138 -1.421 5.977 1.00 0.00 C ATOM 909 CG1 ILE A 63 4.413 -2.374 4.812 1.00 0.00 C ATOM 910 CG2 ILE A 63 2.854 -0.616 5.768 1.00 0.00 C ATOM 911 CD1 ILE A 63 3.639 -3.683 4.980 1.00 0.00 C ATOM 0 H ILE A 63 6.100 -1.870 7.604 1.00 0.00 H new ATOM 0 HA ILE A 63 5.651 -0.158 5.236 1.00 0.00 H new ATOM 0 HB ILE A 63 3.992 -2.033 6.867 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.130 -1.898 3.873 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.481 -2.584 4.753 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.021 -1.298 5.596 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.653 -0.014 6.655 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.971 0.039 4.904 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.852 -4.342 4.139 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.942 -4.169 5.908 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.570 -3.472 5.014 1.00 0.00 H new ATOM 923 N GLU A 64 4.632 0.523 8.291 1.00 0.00 N ATOM 924 CA GLU A 64 4.276 1.616 9.180 1.00 0.00 C ATOM 925 C GLU A 64 5.384 2.670 9.196 1.00 0.00 C ATOM 926 O GLU A 64 5.117 3.854 9.395 1.00 0.00 O ATOM 927 CB GLU A 64 3.987 1.103 10.592 1.00 0.00 C ATOM 928 CG GLU A 64 2.753 0.197 10.605 1.00 0.00 C ATOM 929 CD GLU A 64 2.758 -0.719 11.830 1.00 0.00 C ATOM 930 OE1 GLU A 64 3.523 -0.407 12.769 1.00 0.00 O ATOM 931 OE2 GLU A 64 1.997 -1.710 11.801 1.00 0.00 O ATOM 0 H GLU A 64 4.585 -0.404 8.714 1.00 0.00 H new ATOM 0 HA GLU A 64 3.365 2.081 8.804 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.850 0.553 10.967 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.830 1.947 11.264 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.850 0.807 10.606 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.730 -0.405 9.697 1.00 0.00 H new ATOM 938 N LYS A 65 6.605 2.202 8.984 1.00 0.00 N ATOM 939 CA LYS A 65 7.756 3.089 8.972 1.00 0.00 C ATOM 940 C LYS A 65 7.810 3.829 7.633 1.00 0.00 C ATOM 941 O LYS A 65 8.210 4.990 7.577 1.00 0.00 O ATOM 942 CB LYS A 65 9.034 2.314 9.298 1.00 0.00 C ATOM 943 CG LYS A 65 9.060 1.894 10.769 1.00 0.00 C ATOM 944 CD LYS A 65 9.328 3.096 11.678 1.00 0.00 C ATOM 945 CE LYS A 65 8.097 3.429 12.523 1.00 0.00 C ATOM 946 NZ LYS A 65 7.755 4.864 12.396 1.00 0.00 N ATOM 0 H LYS A 65 6.823 1.219 8.819 1.00 0.00 H new ATOM 0 HA LYS A 65 7.662 3.845 9.752 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.100 1.431 8.663 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.905 2.932 9.077 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.108 1.436 11.037 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.831 1.139 10.922 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.174 2.882 12.331 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.603 3.960 11.073 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.253 2.818 12.203 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.289 3.186 13.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.147 5.148 13.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.627 5.431 12.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.250 5.023 11.501 1.00 0.00 H new ATOM 960 N MET A 66 7.400 3.125 6.588 1.00 0.00 N ATOM 961 CA MET A 66 7.397 3.700 5.254 1.00 0.00 C ATOM 962 C MET A 66 6.460 4.908 5.179 1.00 0.00 C ATOM 963 O MET A 66 6.743 5.874 4.473 1.00 0.00 O ATOM 964 CB MET A 66 6.948 2.643 4.243 1.00 0.00 C ATOM 965 CG MET A 66 8.083 2.288 3.280 1.00 0.00 C ATOM 966 SD MET A 66 8.488 3.699 2.266 1.00 0.00 S ATOM 967 CE MET A 66 6.928 3.938 1.431 1.00 0.00 C ATOM 0 H MET A 66 7.068 2.162 6.638 1.00 0.00 H new ATOM 0 HA MET A 66 8.408 4.033 5.021 1.00 0.00 H new ATOM 0 HB2 MET A 66 6.620 1.747 4.770 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.091 3.014 3.680 1.00 0.00 H new ATOM 0 HG2 MET A 66 8.961 1.970 3.842 1.00 0.00 H new ATOM 0 HG3 MET A 66 7.787 1.450 2.649 1.00 0.00 H new ATOM 0 HE1 MET A 66 7.095 4.462 0.490 1.00 0.00 H new ATOM 0 HE2 MET A 66 6.471 2.969 1.230 1.00 0.00 H new ATOM 0 HE3 MET A 66 6.264 4.528 2.062 1.00 0.00 H new ATOM 977 N LEU A 67 5.365 4.813 5.919 1.00 0.00 N ATOM 978 CA LEU A 67 4.385 5.886 5.946 1.00 0.00 C ATOM 979 C LEU A 67 4.962 7.079 6.712 1.00 0.00 C ATOM 980 O LEU A 67 4.445 8.191 6.616 1.00 0.00 O ATOM 981 CB LEU A 67 3.054 5.382 6.506 1.00 0.00 C ATOM 982 CG LEU A 67 2.179 4.583 5.537 1.00 0.00 C ATOM 983 CD1 LEU A 67 2.941 3.383 4.971 1.00 0.00 C ATOM 984 CD2 LEU A 67 0.865 4.167 6.202 1.00 0.00 C ATOM 0 H LEU A 67 5.135 4.010 6.504 1.00 0.00 H new ATOM 0 HA LEU A 67 4.169 6.230 4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.261 4.759 7.376 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.482 6.241 6.858 1.00 0.00 H new ATOM 0 HG LEU A 67 1.924 5.227 4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.296 2.833 4.286 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.824 3.732 4.437 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.246 2.728 5.787 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.261 3.601 5.493 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.078 3.547 7.073 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.318 5.056 6.515 1.00 0.00 H new ATOM 996 N LYS A 68 6.026 6.806 7.454 1.00 0.00 N ATOM 997 CA LYS A 68 6.678 7.843 8.235 1.00 0.00 C ATOM 998 C LYS A 68 7.958 8.284 7.522 1.00 0.00 C ATOM 999 O LYS A 68 8.361 9.441 7.622 1.00 0.00 O ATOM 1000 CB LYS A 68 6.907 7.367 9.671 1.00 0.00 C ATOM 1001 CG LYS A 68 7.974 8.215 10.366 1.00 0.00 C ATOM 1002 CD LYS A 68 7.525 8.616 11.773 1.00 0.00 C ATOM 1003 CE LYS A 68 8.666 8.455 12.779 1.00 0.00 C ATOM 1004 NZ LYS A 68 9.399 9.731 12.941 1.00 0.00 N ATOM 0 H LYS A 68 6.452 5.882 7.530 1.00 0.00 H new ATOM 0 HA LYS A 68 6.037 8.721 8.313 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.973 7.422 10.230 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.214 6.321 9.667 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.908 7.655 10.424 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.174 9.109 9.776 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.183 9.651 11.768 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.678 8.001 12.077 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.268 8.133 13.741 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.350 7.677 12.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.170 9.604 13.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.796 10.022 12.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.747 10.465 13.285 1.00 0.00 H new ATOM 1018 N ASN A 69 8.561 7.337 6.818 1.00 0.00 N ATOM 1019 CA ASN A 69 9.787 7.613 6.088 1.00 0.00 C ATOM 1020 C ASN A 69 10.879 8.031 7.075 1.00 0.00 C ATOM 1021 O ASN A 69 11.748 7.231 7.420 1.00 0.00 O ATOM 1022 CB ASN A 69 9.589 8.756 5.091 1.00 0.00 C ATOM 1023 CG ASN A 69 10.925 9.198 4.490 1.00 0.00 C ATOM 1024 OD1 ASN A 69 11.819 8.403 4.249 1.00 0.00 O ATOM 1025 ND2 ASN A 69 11.010 10.505 4.262 1.00 0.00 N ATOM 0 H ASN A 69 8.223 6.378 6.738 1.00 0.00 H new ATOM 0 HA ASN A 69 10.069 6.709 5.549 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.916 8.436 4.295 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.114 9.600 5.590 1.00 0.00 H new ATOM 0 HD21 ASN A 69 11.862 10.899 3.862 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.224 11.114 4.487 1.00 0.00 H new ATOM 1032 N GLY A 70 10.800 9.283 7.501 1.00 0.00 N ATOM 1033 CA GLY A 70 11.772 9.816 8.441 1.00 0.00 C ATOM 1034 C GLY A 70 12.405 11.101 7.905 1.00 0.00 C ATOM 1035 O GLY A 70 11.700 12.045 7.552 1.00 0.00 O ATOM 0 H GLY A 70 10.078 9.944 7.213 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.287 10.016 9.397 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.548 9.074 8.627 1.00 0.00 H new ATOM 1039 N LYS A 71 13.729 11.096 7.860 1.00 0.00 N ATOM 1040 CA LYS A 71 14.466 12.250 7.372 1.00 0.00 C ATOM 1041 C LYS A 71 14.762 12.068 5.882 1.00 0.00 C ATOM 1042 O LYS A 71 14.001 12.531 5.034 1.00 0.00 O ATOM 1043 CB LYS A 71 15.716 12.486 8.223 1.00 0.00 C ATOM 1044 CG LYS A 71 15.460 13.553 9.289 1.00 0.00 C ATOM 1045 CD LYS A 71 16.750 13.906 10.032 1.00 0.00 C ATOM 1046 CE LYS A 71 17.543 14.973 9.276 1.00 0.00 C ATOM 1047 NZ LYS A 71 18.996 14.782 9.483 1.00 0.00 N ATOM 0 H LYS A 71 14.311 10.311 8.153 1.00 0.00 H new ATOM 0 HA LYS A 71 13.866 13.155 7.470 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.016 11.554 8.701 1.00 0.00 H new ATOM 0 HB3 LYS A 71 16.542 12.797 7.584 1.00 0.00 H new ATOM 0 HG2 LYS A 71 15.049 14.448 8.822 1.00 0.00 H new ATOM 0 HG3 LYS A 71 14.715 13.192 9.998 1.00 0.00 H new ATOM 0 HD2 LYS A 71 16.511 14.266 11.033 1.00 0.00 H new ATOM 0 HD3 LYS A 71 17.361 13.011 10.153 1.00 0.00 H new ATOM 0 HE2 LYS A 71 17.311 14.921 8.212 1.00 0.00 H new ATOM 0 HE3 LYS A 71 17.248 15.965 9.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 19.520 15.515 8.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 19.215 14.854 10.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 19.276 13.843 9.134 1.00 0.00 H new ATOM 1061 N SER A 72 15.869 11.394 5.609 1.00 0.00 N ATOM 1062 CA SER A 72 16.274 11.146 4.236 1.00 0.00 C ATOM 1063 C SER A 72 16.953 12.389 3.658 1.00 0.00 C ATOM 1064 O SER A 72 16.294 13.391 3.387 1.00 0.00 O ATOM 1065 CB SER A 72 15.077 10.745 3.372 1.00 0.00 C ATOM 1066 OG SER A 72 15.365 9.615 2.552 1.00 0.00 O ATOM 0 H SER A 72 16.498 11.012 6.315 1.00 0.00 H new ATOM 0 HA SER A 72 16.983 10.318 4.233 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.226 10.519 4.014 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.787 11.586 2.742 1.00 0.00 H new ATOM 0 HG SER A 72 14.576 9.389 2.017 1.00 0.00 H new ATOM 1072 N ASN A 73 18.263 12.283 3.485 1.00 0.00 N ATOM 1073 CA ASN A 73 19.038 13.386 2.944 1.00 0.00 C ATOM 1074 C ASN A 73 18.328 13.946 1.710 1.00 0.00 C ATOM 1075 O ASN A 73 18.874 14.794 1.007 1.00 0.00 O ATOM 1076 CB ASN A 73 20.432 12.922 2.518 1.00 0.00 C ATOM 1077 CG ASN A 73 21.516 13.824 3.113 1.00 0.00 C ATOM 1078 OD1 ASN A 73 21.423 14.292 4.235 1.00 0.00 O ATOM 1079 ND2 ASN A 73 22.547 14.039 2.300 1.00 0.00 N ATOM 0 H ASN A 73 18.807 11.450 3.710 1.00 0.00 H new ATOM 0 HA ASN A 73 19.132 14.145 3.721 1.00 0.00 H new ATOM 0 HB2 ASN A 73 20.592 11.894 2.842 1.00 0.00 H new ATOM 0 HB3 ASN A 73 20.505 12.929 1.430 1.00 0.00 H new ATOM 0 HD21 ASN A 73 23.323 14.627 2.605 1.00 0.00 H new ATOM 0 HD22 ASN A 73 22.562 13.616 1.372 1.00 0.00 H new TER 1086 ASN A 73 ATOM 1087 N THR B 5 15.271 15.635 -9.970 1.00 0.00 N ATOM 1088 CA THR B 5 15.270 16.662 -8.942 1.00 0.00 C ATOM 1089 C THR B 5 13.978 17.480 -9.007 1.00 0.00 C ATOM 1090 O THR B 5 13.366 17.763 -7.978 1.00 0.00 O ATOM 1091 CB THR B 5 16.533 17.507 -9.116 1.00 0.00 C ATOM 1092 OG1 THR B 5 16.509 17.888 -10.489 1.00 0.00 O ATOM 1093 CG2 THR B 5 17.814 16.680 -8.981 1.00 0.00 C ATOM 0 HA THR B 5 15.290 16.223 -7.945 1.00 0.00 H new ATOM 0 HB THR B 5 16.539 18.308 -8.377 1.00 0.00 H new ATOM 0 HG1 THR B 5 16.148 17.152 -11.026 1.00 0.00 H new ATOM 0 HG21 THR B 5 18.681 17.328 -9.113 1.00 0.00 H new ATOM 0 HG22 THR B 5 17.850 16.223 -7.992 1.00 0.00 H new ATOM 0 HG23 THR B 5 17.825 15.900 -9.742 1.00 0.00 H new ATOM 1101 N GLU B 6 13.602 17.836 -10.226 1.00 0.00 N ATOM 1102 CA GLU B 6 12.395 18.616 -10.439 1.00 0.00 C ATOM 1103 C GLU B 6 11.175 17.695 -10.519 1.00 0.00 C ATOM 1104 O GLU B 6 10.444 17.713 -11.508 1.00 0.00 O ATOM 1105 CB GLU B 6 12.514 19.479 -11.697 1.00 0.00 C ATOM 1106 CG GLU B 6 11.490 20.616 -11.680 1.00 0.00 C ATOM 1107 CD GLU B 6 11.189 21.104 -13.099 1.00 0.00 C ATOM 1108 OE1 GLU B 6 12.168 21.418 -13.810 1.00 0.00 O ATOM 1109 OE2 GLU B 6 9.988 21.151 -13.441 1.00 0.00 O ATOM 0 H GLU B 6 14.112 17.599 -11.077 1.00 0.00 H new ATOM 0 HA GLU B 6 12.265 19.287 -9.590 1.00 0.00 H new ATOM 0 HB2 GLU B 6 13.520 19.892 -11.765 1.00 0.00 H new ATOM 0 HB3 GLU B 6 12.362 18.861 -12.582 1.00 0.00 H new ATOM 0 HG2 GLU B 6 10.570 20.274 -11.206 1.00 0.00 H new ATOM 0 HG3 GLU B 6 11.869 21.443 -11.080 1.00 0.00 H new ATOM 1116 N LEU B 7 10.995 16.912 -9.466 1.00 0.00 N ATOM 1117 CA LEU B 7 9.877 15.986 -9.404 1.00 0.00 C ATOM 1118 C LEU B 7 8.818 16.534 -8.446 1.00 0.00 C ATOM 1119 O LEU B 7 9.076 17.482 -7.706 1.00 0.00 O ATOM 1120 CB LEU B 7 10.364 14.581 -9.044 1.00 0.00 C ATOM 1121 CG LEU B 7 11.323 13.928 -10.041 1.00 0.00 C ATOM 1122 CD1 LEU B 7 12.664 13.604 -9.380 1.00 0.00 C ATOM 1123 CD2 LEU B 7 10.688 12.693 -10.684 1.00 0.00 C ATOM 0 H LEU B 7 11.605 16.900 -8.648 1.00 0.00 H new ATOM 0 HA LEU B 7 9.405 15.894 -10.382 1.00 0.00 H new ATOM 0 HB2 LEU B 7 10.857 14.626 -8.073 1.00 0.00 H new ATOM 0 HB3 LEU B 7 9.494 13.934 -8.930 1.00 0.00 H new ATOM 0 HG LEU B 7 11.522 14.641 -10.841 1.00 0.00 H new ATOM 0 HD11 LEU B 7 13.327 13.141 -10.110 1.00 0.00 H new ATOM 0 HD12 LEU B 7 13.118 14.523 -9.009 1.00 0.00 H new ATOM 0 HD13 LEU B 7 12.503 12.917 -8.549 1.00 0.00 H new ATOM 0 HD21 LEU B 7 11.391 12.248 -11.389 1.00 0.00 H new ATOM 0 HD22 LEU B 7 10.441 11.966 -9.910 1.00 0.00 H new ATOM 0 HD23 LEU B 7 9.780 12.984 -11.212 1.00 0.00 H new ATOM 1135 N ARG B 8 7.647 15.915 -8.491 1.00 0.00 N ATOM 1136 CA ARG B 8 6.548 16.329 -7.635 1.00 0.00 C ATOM 1137 C ARG B 8 5.871 15.106 -7.013 1.00 0.00 C ATOM 1138 O ARG B 8 6.536 14.128 -6.675 1.00 0.00 O ATOM 1139 CB ARG B 8 5.511 17.132 -8.422 1.00 0.00 C ATOM 1140 CG ARG B 8 6.188 18.158 -9.333 1.00 0.00 C ATOM 1141 CD ARG B 8 5.222 18.658 -10.409 1.00 0.00 C ATOM 1142 NE ARG B 8 4.576 19.914 -9.966 1.00 0.00 N ATOM 1143 CZ ARG B 8 3.882 20.727 -10.773 1.00 0.00 C ATOM 1144 NH1 ARG B 8 3.739 20.422 -12.070 1.00 0.00 N ATOM 1145 NH2 ARG B 8 3.331 21.847 -10.284 1.00 0.00 N ATOM 0 H ARG B 8 7.435 15.130 -9.107 1.00 0.00 H new ATOM 0 HA ARG B 8 6.959 16.961 -6.848 1.00 0.00 H new ATOM 0 HB2 ARG B 8 4.900 16.456 -9.020 1.00 0.00 H new ATOM 0 HB3 ARG B 8 4.839 17.641 -7.731 1.00 0.00 H new ATOM 0 HG2 ARG B 8 6.543 19.000 -8.738 1.00 0.00 H new ATOM 0 HG3 ARG B 8 7.063 17.710 -9.804 1.00 0.00 H new ATOM 0 HD2 ARG B 8 5.760 18.826 -11.342 1.00 0.00 H new ATOM 0 HD3 ARG B 8 4.464 17.901 -10.609 1.00 0.00 H new ATOM 0 HE ARG B 8 4.665 20.177 -8.984 1.00 0.00 H new ATOM 0 HH11 ARG B 8 4.159 19.570 -12.443 1.00 0.00 H new ATOM 0 HH12 ARG B 8 3.210 21.041 -12.684 1.00 0.00 H new ATOM 0 HH21 ARG B 8 3.440 22.080 -9.297 1.00 0.00 H new ATOM 0 HH22 ARG B 8 2.803 22.466 -10.899 1.00 0.00 H new ATOM 1159 N CYS B 9 4.556 15.202 -6.879 1.00 0.00 N ATOM 1160 CA CYS B 9 3.781 14.116 -6.303 1.00 0.00 C ATOM 1161 C CYS B 9 3.132 13.331 -7.444 1.00 0.00 C ATOM 1162 O CYS B 9 2.852 13.887 -8.505 1.00 0.00 O ATOM 1163 CB CYS B 9 2.744 14.630 -5.302 1.00 0.00 C ATOM 1164 SG CYS B 9 3.415 15.056 -3.653 1.00 0.00 S ATOM 0 H CYS B 9 4.008 16.015 -7.159 1.00 0.00 H new ATOM 0 HA CYS B 9 4.439 13.456 -5.738 1.00 0.00 H new ATOM 0 HB2 CYS B 9 2.261 15.513 -5.721 1.00 0.00 H new ATOM 0 HB3 CYS B 9 1.971 13.872 -5.179 1.00 0.00 H new ATOM 1169 N GLN B 10 2.912 12.049 -7.188 1.00 0.00 N ATOM 1170 CA GLN B 10 2.301 11.182 -8.180 1.00 0.00 C ATOM 1171 C GLN B 10 0.784 11.376 -8.193 1.00 0.00 C ATOM 1172 O GLN B 10 0.085 10.782 -9.013 1.00 0.00 O ATOM 1173 CB GLN B 10 2.665 9.717 -7.927 1.00 0.00 C ATOM 1174 CG GLN B 10 2.783 8.946 -9.242 1.00 0.00 C ATOM 1175 CD GLN B 10 1.682 7.890 -9.359 1.00 0.00 C ATOM 1176 OE1 GLN B 10 0.705 8.050 -10.073 1.00 0.00 O ATOM 1177 NE2 GLN B 10 1.893 6.804 -8.620 1.00 0.00 N ATOM 0 H GLN B 10 3.146 11.591 -6.307 1.00 0.00 H new ATOM 0 HA GLN B 10 2.690 11.454 -9.161 1.00 0.00 H new ATOM 0 HB2 GLN B 10 3.608 9.662 -7.383 1.00 0.00 H new ATOM 0 HB3 GLN B 10 1.906 9.254 -7.297 1.00 0.00 H new ATOM 0 HG2 GLN B 10 2.718 9.639 -10.081 1.00 0.00 H new ATOM 0 HG3 GLN B 10 3.760 8.466 -9.300 1.00 0.00 H new ATOM 0 HE21 GLN B 10 2.732 6.734 -8.044 1.00 0.00 H new ATOM 0 HE22 GLN B 10 1.216 6.041 -8.629 1.00 0.00 H new ATOM 1186 N CYS B 11 0.318 12.210 -7.275 1.00 0.00 N ATOM 1187 CA CYS B 11 -1.104 12.489 -7.170 1.00 0.00 C ATOM 1188 C CYS B 11 -1.278 13.966 -6.811 1.00 0.00 C ATOM 1189 O CYS B 11 -0.627 14.467 -5.895 1.00 0.00 O ATOM 1190 CB CYS B 11 -1.788 11.571 -6.155 1.00 0.00 C ATOM 1191 SG CYS B 11 -3.174 10.583 -6.826 1.00 0.00 S ATOM 0 H CYS B 11 0.900 12.702 -6.597 1.00 0.00 H new ATOM 0 HA CYS B 11 -1.588 12.288 -8.126 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -1.043 10.892 -5.741 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -2.159 12.178 -5.329 1.00 0.00 H new ATOM 1196 N LEU B 12 -2.159 14.622 -7.552 1.00 0.00 N ATOM 1197 CA LEU B 12 -2.427 16.032 -7.323 1.00 0.00 C ATOM 1198 C LEU B 12 -3.629 16.173 -6.387 1.00 0.00 C ATOM 1199 O LEU B 12 -3.840 17.232 -5.797 1.00 0.00 O ATOM 1200 CB LEU B 12 -2.594 16.768 -8.654 1.00 0.00 C ATOM 1201 CG LEU B 12 -1.600 16.397 -9.756 1.00 0.00 C ATOM 1202 CD1 LEU B 12 -2.223 16.580 -11.141 1.00 0.00 C ATOM 1203 CD2 LEU B 12 -0.296 17.182 -9.605 1.00 0.00 C ATOM 0 H LEU B 12 -2.696 14.203 -8.311 1.00 0.00 H new ATOM 0 HA LEU B 12 -1.580 16.506 -6.827 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -3.602 16.583 -9.025 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -2.515 17.839 -8.467 1.00 0.00 H new ATOM 0 HG LEU B 12 -1.353 15.340 -9.652 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -1.495 16.309 -11.906 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -3.101 15.940 -11.233 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -2.518 17.621 -11.273 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.393 16.899 -10.401 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.505 18.250 -9.668 1.00 0.00 H new ATOM 0 HD23 LEU B 12 0.154 16.957 -8.638 1.00 0.00 H new ATOM 1215 N GLN B 13 -4.385 15.091 -6.279 1.00 0.00 N ATOM 1216 CA GLN B 13 -5.560 15.081 -5.425 1.00 0.00 C ATOM 1217 C GLN B 13 -5.593 13.803 -4.583 1.00 0.00 C ATOM 1218 O GLN B 13 -4.801 12.889 -4.804 1.00 0.00 O ATOM 1219 CB GLN B 13 -6.840 15.226 -6.250 1.00 0.00 C ATOM 1220 CG GLN B 13 -7.863 16.103 -5.526 1.00 0.00 C ATOM 1221 CD GLN B 13 -9.283 15.568 -5.724 1.00 0.00 C ATOM 1222 OE1 GLN B 13 -9.552 14.757 -6.595 1.00 0.00 O ATOM 1223 NE2 GLN B 13 -10.172 16.064 -4.869 1.00 0.00 N ATOM 0 H GLN B 13 -4.207 14.214 -6.769 1.00 0.00 H new ATOM 0 HA GLN B 13 -5.502 15.936 -4.752 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -6.604 15.662 -7.220 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -7.269 14.242 -6.439 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -7.629 16.138 -4.462 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -7.800 17.125 -5.900 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -9.879 16.740 -4.164 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -11.147 15.768 -4.918 1.00 0.00 H new ATOM 1232 N THR B 14 -6.519 13.782 -3.635 1.00 0.00 N ATOM 1233 CA THR B 14 -6.665 12.632 -2.758 1.00 0.00 C ATOM 1234 C THR B 14 -8.095 12.552 -2.218 1.00 0.00 C ATOM 1235 O THR B 14 -8.852 13.517 -2.310 1.00 0.00 O ATOM 1236 CB THR B 14 -5.606 12.736 -1.660 1.00 0.00 C ATOM 1237 OG1 THR B 14 -5.525 14.132 -1.387 1.00 0.00 O ATOM 1238 CG2 THR B 14 -4.206 12.373 -2.160 1.00 0.00 C ATOM 0 H THR B 14 -7.175 14.542 -3.455 1.00 0.00 H new ATOM 0 HA THR B 14 -6.502 11.700 -3.298 1.00 0.00 H new ATOM 0 HB THR B 14 -5.877 12.081 -0.832 1.00 0.00 H new ATOM 0 HG1 THR B 14 -4.861 14.290 -0.684 1.00 0.00 H new ATOM 0 HG21 THR B 14 -3.492 12.463 -1.341 1.00 0.00 H new ATOM 0 HG22 THR B 14 -4.206 11.348 -2.530 1.00 0.00 H new ATOM 0 HG23 THR B 14 -3.921 13.049 -2.966 1.00 0.00 H new ATOM 1246 N LEU B 15 -8.421 11.392 -1.667 1.00 0.00 N ATOM 1247 CA LEU B 15 -9.746 11.174 -1.112 1.00 0.00 C ATOM 1248 C LEU B 15 -9.702 11.390 0.402 1.00 0.00 C ATOM 1249 O LEU B 15 -8.637 11.638 0.967 1.00 0.00 O ATOM 1250 CB LEU B 15 -10.278 9.799 -1.521 1.00 0.00 C ATOM 1251 CG LEU B 15 -10.399 9.547 -3.026 1.00 0.00 C ATOM 1252 CD1 LEU B 15 -10.028 8.104 -3.372 1.00 0.00 C ATOM 1253 CD2 LEU B 15 -11.794 9.919 -3.534 1.00 0.00 C ATOM 0 H LEU B 15 -7.791 10.593 -1.593 1.00 0.00 H new ATOM 0 HA LEU B 15 -10.453 11.898 -1.518 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -9.624 9.037 -1.097 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -11.261 9.663 -1.070 1.00 0.00 H new ATOM 0 HG LEU B 15 -9.687 10.194 -3.539 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -10.122 7.952 -4.447 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -9.000 7.910 -3.067 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -10.697 7.421 -2.849 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -11.853 9.730 -4.606 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -12.542 9.317 -3.018 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -11.982 10.975 -3.341 1.00 0.00 H new ATOM 1265 N GLN B 16 -10.871 11.288 1.016 1.00 0.00 N ATOM 1266 CA GLN B 16 -10.980 11.470 2.454 1.00 0.00 C ATOM 1267 C GLN B 16 -11.311 10.139 3.134 1.00 0.00 C ATOM 1268 O GLN B 16 -11.206 10.018 4.353 1.00 0.00 O ATOM 1269 CB GLN B 16 -12.024 12.534 2.795 1.00 0.00 C ATOM 1270 CG GLN B 16 -12.496 12.395 4.244 1.00 0.00 C ATOM 1271 CD GLN B 16 -11.330 12.570 5.219 1.00 0.00 C ATOM 1272 OE1 GLN B 16 -10.169 12.426 4.871 1.00 0.00 O ATOM 1273 NE2 GLN B 16 -11.702 12.886 6.456 1.00 0.00 N ATOM 0 H GLN B 16 -11.752 11.082 0.544 1.00 0.00 H new ATOM 0 HA GLN B 16 -10.018 11.819 2.830 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -11.601 13.527 2.640 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -12.876 12.442 2.121 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -13.264 13.139 4.453 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -12.953 11.416 4.389 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -12.692 12.991 6.680 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -10.998 13.023 7.181 1.00 0.00 H new ATOM 1282 N GLY B 17 -11.703 9.175 2.315 1.00 0.00 N ATOM 1283 CA GLY B 17 -12.050 7.858 2.821 1.00 0.00 C ATOM 1284 C GLY B 17 -13.122 7.200 1.950 1.00 0.00 C ATOM 1285 O GLY B 17 -14.313 7.454 2.127 1.00 0.00 O ATOM 0 H GLY B 17 -11.788 9.279 1.304 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -11.161 7.229 2.847 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -12.411 7.942 3.846 1.00 0.00 H new ATOM 1289 N ILE B 18 -12.661 6.368 1.028 1.00 0.00 N ATOM 1290 CA ILE B 18 -13.566 5.671 0.129 1.00 0.00 C ATOM 1291 C ILE B 18 -13.939 4.317 0.736 1.00 0.00 C ATOM 1292 O ILE B 18 -13.260 3.829 1.637 1.00 0.00 O ATOM 1293 CB ILE B 18 -12.958 5.572 -1.271 1.00 0.00 C ATOM 1294 CG1 ILE B 18 -13.216 6.849 -2.073 1.00 0.00 C ATOM 1295 CG2 ILE B 18 -13.463 4.325 -2.001 1.00 0.00 C ATOM 1296 CD1 ILE B 18 -14.716 7.111 -2.221 1.00 0.00 C ATOM 0 H ILE B 18 -11.673 6.161 0.884 1.00 0.00 H new ATOM 0 HA ILE B 18 -14.493 6.232 0.010 1.00 0.00 H new ATOM 0 HB ILE B 18 -11.878 5.470 -1.168 1.00 0.00 H new ATOM 0 HG12 ILE B 18 -12.743 7.696 -1.577 1.00 0.00 H new ATOM 0 HG13 ILE B 18 -12.760 6.762 -3.059 1.00 0.00 H new ATOM 0 HG21 ILE B 18 -13.016 4.278 -2.994 1.00 0.00 H new ATOM 0 HG22 ILE B 18 -13.186 3.435 -1.436 1.00 0.00 H new ATOM 0 HG23 ILE B 18 -14.548 4.372 -2.094 1.00 0.00 H new ATOM 0 HD11 ILE B 18 -14.871 8.025 -2.795 1.00 0.00 H new ATOM 0 HD12 ILE B 18 -15.182 6.273 -2.739 1.00 0.00 H new ATOM 0 HD13 ILE B 18 -15.165 7.222 -1.234 1.00 0.00 H new ATOM 1308 N HIS B 19 -15.017 3.749 0.216 1.00 0.00 N ATOM 1309 CA HIS B 19 -15.489 2.461 0.696 1.00 0.00 C ATOM 1310 C HIS B 19 -14.386 1.414 0.522 1.00 0.00 C ATOM 1311 O HIS B 19 -13.716 1.378 -0.509 1.00 0.00 O ATOM 1312 CB HIS B 19 -16.794 2.067 0.002 1.00 0.00 C ATOM 1313 CG HIS B 19 -17.853 1.539 0.939 1.00 0.00 C ATOM 1314 ND1 HIS B 19 -19.036 2.212 1.189 1.00 0.00 N ATOM 1315 CD2 HIS B 19 -17.895 0.397 1.684 1.00 0.00 C ATOM 1316 CE1 HIS B 19 -19.750 1.499 2.048 1.00 0.00 C ATOM 1317 NE2 HIS B 19 -19.041 0.374 2.353 1.00 0.00 N ATOM 0 H HIS B 19 -15.577 4.157 -0.533 1.00 0.00 H new ATOM 0 HA HIS B 19 -15.717 2.527 1.760 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -17.190 2.935 -0.525 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -16.579 1.309 -0.751 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -17.126 -0.360 1.723 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -20.722 1.762 2.438 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -19.342 -0.363 2.990 1.00 0.00 H new ATOM 1325 N LEU B 20 -14.232 0.588 1.546 1.00 0.00 N ATOM 1326 CA LEU B 20 -13.223 -0.457 1.520 1.00 0.00 C ATOM 1327 C LEU B 20 -13.801 -1.702 0.845 1.00 0.00 C ATOM 1328 O LEU B 20 -13.195 -2.772 0.885 1.00 0.00 O ATOM 1329 CB LEU B 20 -12.682 -0.715 2.928 1.00 0.00 C ATOM 1330 CG LEU B 20 -11.561 -1.751 3.036 1.00 0.00 C ATOM 1331 CD1 LEU B 20 -10.366 -1.360 2.165 1.00 0.00 C ATOM 1332 CD2 LEU B 20 -11.159 -1.972 4.496 1.00 0.00 C ATOM 0 H LEU B 20 -14.789 0.621 2.400 1.00 0.00 H new ATOM 0 HA LEU B 20 -12.364 -0.143 0.927 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -12.318 0.229 3.335 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -13.509 -1.037 3.560 1.00 0.00 H new ATOM 0 HG LEU B 20 -11.937 -2.702 2.657 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -9.584 -2.113 2.261 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -10.681 -1.294 1.124 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -9.980 -0.394 2.489 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -10.361 -2.713 4.545 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -10.809 -1.032 4.923 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -12.020 -2.329 5.061 1.00 0.00 H new ATOM 1344 N LYS B 21 -14.967 -1.522 0.242 1.00 0.00 N ATOM 1345 CA LYS B 21 -15.634 -2.618 -0.440 1.00 0.00 C ATOM 1346 C LYS B 21 -15.234 -2.612 -1.917 1.00 0.00 C ATOM 1347 O LYS B 21 -15.482 -3.580 -2.635 1.00 0.00 O ATOM 1348 CB LYS B 21 -17.145 -2.550 -0.212 1.00 0.00 C ATOM 1349 CG LYS B 21 -17.904 -3.208 -1.367 1.00 0.00 C ATOM 1350 CD LYS B 21 -17.632 -4.713 -1.414 1.00 0.00 C ATOM 1351 CE LYS B 21 -17.865 -5.268 -2.821 1.00 0.00 C ATOM 1352 NZ LYS B 21 -16.789 -6.216 -3.188 1.00 0.00 N ATOM 0 H LYS B 21 -15.467 -0.633 0.212 1.00 0.00 H new ATOM 0 HA LYS B 21 -15.315 -3.575 -0.027 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -17.398 -3.047 0.724 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -17.455 -1.510 -0.114 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -18.973 -3.031 -1.252 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -17.605 -2.751 -2.310 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -16.605 -4.910 -1.107 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -18.281 -5.226 -0.705 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -18.831 -5.770 -2.865 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -17.898 -4.450 -3.540 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -16.962 -6.584 -4.145 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -15.872 -5.726 -3.166 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -16.776 -7.006 -2.511 1.00 0.00 H new ATOM 1366 N ASN B 22 -14.621 -1.511 -2.327 1.00 0.00 N ATOM 1367 CA ASN B 22 -14.185 -1.367 -3.706 1.00 0.00 C ATOM 1368 C ASN B 22 -12.670 -1.568 -3.780 1.00 0.00 C ATOM 1369 O ASN B 22 -12.181 -2.329 -4.613 1.00 0.00 O ATOM 1370 CB ASN B 22 -14.503 0.030 -4.241 1.00 0.00 C ATOM 1371 CG ASN B 22 -15.657 -0.017 -5.245 1.00 0.00 C ATOM 1372 OD1 ASN B 22 -15.669 -0.799 -6.181 1.00 0.00 O ATOM 1373 ND2 ASN B 22 -16.625 0.862 -4.998 1.00 0.00 N ATOM 0 H ASN B 22 -14.416 -0.711 -1.729 1.00 0.00 H new ATOM 0 HA ASN B 22 -14.710 -2.111 -4.305 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -14.763 0.690 -3.413 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -13.618 0.451 -4.718 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -17.439 0.909 -5.610 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -16.553 1.489 -4.196 1.00 0.00 H new ATOM 1380 N ILE B 23 -11.969 -0.871 -2.898 1.00 0.00 N ATOM 1381 CA ILE B 23 -10.519 -0.963 -2.853 1.00 0.00 C ATOM 1382 C ILE B 23 -10.103 -2.433 -2.922 1.00 0.00 C ATOM 1383 O ILE B 23 -10.607 -3.261 -2.165 1.00 0.00 O ATOM 1384 CB ILE B 23 -9.973 -0.227 -1.627 1.00 0.00 C ATOM 1385 CG1 ILE B 23 -9.639 1.228 -1.965 1.00 0.00 C ATOM 1386 CG2 ILE B 23 -8.774 -0.967 -1.032 1.00 0.00 C ATOM 1387 CD1 ILE B 23 -10.262 2.185 -0.947 1.00 0.00 C ATOM 0 H ILE B 23 -12.378 -0.240 -2.209 1.00 0.00 H new ATOM 0 HA ILE B 23 -10.079 -0.466 -3.717 1.00 0.00 H new ATOM 0 HB ILE B 23 -10.751 -0.210 -0.864 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -8.557 1.362 -1.981 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -10.004 1.466 -2.964 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -8.406 -0.423 -0.162 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -9.078 -1.969 -0.731 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -7.983 -1.037 -1.778 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -10.009 3.212 -1.211 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -11.345 2.066 -0.951 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -9.876 1.960 0.047 1.00 0.00 H new ATOM 1399 N GLN B 24 -9.188 -2.714 -3.838 1.00 0.00 N ATOM 1400 CA GLN B 24 -8.699 -4.070 -4.017 1.00 0.00 C ATOM 1401 C GLN B 24 -7.220 -4.156 -3.634 1.00 0.00 C ATOM 1402 O GLN B 24 -6.731 -5.224 -3.270 1.00 0.00 O ATOM 1403 CB GLN B 24 -8.922 -4.549 -5.453 1.00 0.00 C ATOM 1404 CG GLN B 24 -9.378 -6.009 -5.479 1.00 0.00 C ATOM 1405 CD GLN B 24 -8.193 -6.957 -5.281 1.00 0.00 C ATOM 1406 OE1 GLN B 24 -7.325 -6.956 -6.289 1.00 0.00 O flip ATOM 1407 NE2 GLN B 24 -8.075 -7.644 -4.279 1.00 0.00 N flip ATOM 0 H GLN B 24 -8.772 -2.025 -4.465 1.00 0.00 H new ATOM 0 HA GLN B 24 -9.264 -4.729 -3.358 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -9.670 -3.922 -5.937 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -7.999 -4.442 -6.023 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -10.117 -6.177 -4.696 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -9.866 -6.225 -6.430 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -8.779 -7.596 -3.542 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -7.273 -8.266 -4.179 1.00 0.00 H new ATOM 1416 N SER B 25 -6.550 -3.017 -3.729 1.00 0.00 N ATOM 1417 CA SER B 25 -5.137 -2.950 -3.396 1.00 0.00 C ATOM 1418 C SER B 25 -4.802 -1.576 -2.812 1.00 0.00 C ATOM 1419 O SER B 25 -5.571 -0.628 -2.964 1.00 0.00 O ATOM 1420 CB SER B 25 -4.269 -3.231 -4.624 1.00 0.00 C ATOM 1421 OG SER B 25 -5.033 -3.740 -5.714 1.00 0.00 O ATOM 0 H SER B 25 -6.959 -2.133 -4.032 1.00 0.00 H new ATOM 0 HA SER B 25 -4.924 -3.716 -2.651 1.00 0.00 H new ATOM 0 HB2 SER B 25 -3.767 -2.313 -4.931 1.00 0.00 H new ATOM 0 HB3 SER B 25 -3.491 -3.947 -4.361 1.00 0.00 H new ATOM 0 HG SER B 25 -4.443 -3.905 -6.479 1.00 0.00 H new ATOM 1427 N VAL B 26 -3.652 -1.512 -2.156 1.00 0.00 N ATOM 1428 CA VAL B 26 -3.205 -0.270 -1.549 1.00 0.00 C ATOM 1429 C VAL B 26 -1.747 -0.014 -1.936 1.00 0.00 C ATOM 1430 O VAL B 26 -0.910 -0.909 -1.841 1.00 0.00 O ATOM 1431 CB VAL B 26 -3.422 -0.320 -0.035 1.00 0.00 C ATOM 1432 CG1 VAL B 26 -2.624 0.778 0.670 1.00 0.00 C ATOM 1433 CG2 VAL B 26 -4.910 -0.224 0.309 1.00 0.00 C ATOM 0 H VAL B 26 -3.017 -2.300 -2.032 1.00 0.00 H new ATOM 0 HA VAL B 26 -3.792 0.570 -1.921 1.00 0.00 H new ATOM 0 HB VAL B 26 -3.057 -1.282 0.324 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -2.796 0.720 1.745 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -1.562 0.645 0.465 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -2.945 1.753 0.303 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -5.036 -0.262 1.391 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -5.311 0.716 -0.071 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -5.444 -1.057 -0.148 1.00 0.00 H new ATOM 1443 N LYS B 27 -1.489 1.213 -2.363 1.00 0.00 N ATOM 1444 CA LYS B 27 -0.147 1.599 -2.765 1.00 0.00 C ATOM 1445 C LYS B 27 0.279 2.840 -1.979 1.00 0.00 C ATOM 1446 O LYS B 27 -0.370 3.882 -2.058 1.00 0.00 O ATOM 1447 CB LYS B 27 -0.072 1.776 -4.283 1.00 0.00 C ATOM 1448 CG LYS B 27 1.339 2.176 -4.719 1.00 0.00 C ATOM 1449 CD LYS B 27 2.397 1.385 -3.946 1.00 0.00 C ATOM 1450 CE LYS B 27 3.696 1.279 -4.748 1.00 0.00 C ATOM 1451 NZ LYS B 27 4.082 2.602 -5.288 1.00 0.00 N ATOM 0 H LYS B 27 -2.187 1.953 -2.439 1.00 0.00 H new ATOM 0 HA LYS B 27 0.565 0.809 -2.524 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -0.359 0.847 -4.776 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -0.784 2.538 -4.600 1.00 0.00 H new ATOM 0 HG2 LYS B 27 1.457 1.999 -5.788 1.00 0.00 H new ATOM 0 HG3 LYS B 27 1.485 3.243 -4.554 1.00 0.00 H new ATOM 0 HD2 LYS B 27 2.594 1.871 -2.991 1.00 0.00 H new ATOM 0 HD3 LYS B 27 2.020 0.387 -3.724 1.00 0.00 H new ATOM 0 HE2 LYS B 27 4.492 0.893 -4.112 1.00 0.00 H new ATOM 0 HE3 LYS B 27 3.569 0.569 -5.565 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 5.077 2.577 -5.589 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 3.479 2.834 -6.103 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 3.961 3.326 -4.551 1.00 0.00 H new ATOM 1465 N VAL B 28 1.368 2.688 -1.239 1.00 0.00 N ATOM 1466 CA VAL B 28 1.888 3.784 -0.440 1.00 0.00 C ATOM 1467 C VAL B 28 3.223 4.249 -1.026 1.00 0.00 C ATOM 1468 O VAL B 28 4.194 3.495 -1.043 1.00 0.00 O ATOM 1469 CB VAL B 28 1.995 3.358 1.026 1.00 0.00 C ATOM 1470 CG1 VAL B 28 3.445 3.043 1.401 1.00 0.00 C ATOM 1471 CG2 VAL B 28 1.410 4.426 1.952 1.00 0.00 C ATOM 0 H VAL B 28 1.904 1.822 -1.176 1.00 0.00 H new ATOM 0 HA VAL B 28 1.207 4.634 -0.469 1.00 0.00 H new ATOM 0 HB VAL B 28 1.410 2.447 1.153 1.00 0.00 H new ATOM 0 HG11 VAL B 28 3.493 2.743 2.448 1.00 0.00 H new ATOM 0 HG12 VAL B 28 3.815 2.232 0.774 1.00 0.00 H new ATOM 0 HG13 VAL B 28 4.061 3.929 1.249 1.00 0.00 H new ATOM 0 HG21 VAL B 28 1.499 4.098 2.988 1.00 0.00 H new ATOM 0 HG22 VAL B 28 1.955 5.361 1.819 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.359 4.582 1.710 1.00 0.00 H new ATOM 1481 N LYS B 29 3.228 5.489 -1.493 1.00 0.00 N ATOM 1482 CA LYS B 29 4.427 6.063 -2.079 1.00 0.00 C ATOM 1483 C LYS B 29 4.891 7.245 -1.225 1.00 0.00 C ATOM 1484 O LYS B 29 4.520 8.388 -1.487 1.00 0.00 O ATOM 1485 CB LYS B 29 4.187 6.422 -3.547 1.00 0.00 C ATOM 1486 CG LYS B 29 5.512 6.581 -4.296 1.00 0.00 C ATOM 1487 CD LYS B 29 6.098 7.978 -4.083 1.00 0.00 C ATOM 1488 CE LYS B 29 6.701 8.523 -5.379 1.00 0.00 C ATOM 1489 NZ LYS B 29 7.224 9.892 -5.172 1.00 0.00 N ATOM 0 H LYS B 29 2.421 6.112 -1.477 1.00 0.00 H new ATOM 0 HA LYS B 29 5.237 5.333 -2.081 1.00 0.00 H new ATOM 0 HB2 LYS B 29 3.588 5.645 -4.022 1.00 0.00 H new ATOM 0 HB3 LYS B 29 3.616 7.348 -3.610 1.00 0.00 H new ATOM 0 HG2 LYS B 29 6.221 5.829 -3.951 1.00 0.00 H new ATOM 0 HG3 LYS B 29 5.355 6.407 -5.361 1.00 0.00 H new ATOM 0 HD2 LYS B 29 5.319 8.653 -3.728 1.00 0.00 H new ATOM 0 HD3 LYS B 29 6.864 7.941 -3.309 1.00 0.00 H new ATOM 0 HE2 LYS B 29 7.504 7.868 -5.717 1.00 0.00 H new ATOM 0 HE3 LYS B 29 5.945 8.531 -6.164 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 7.630 10.247 -6.061 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 6.450 10.518 -4.871 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 7.961 9.875 -4.438 1.00 0.00 H new ATOM 1503 N SER B 30 5.695 6.928 -0.221 1.00 0.00 N ATOM 1504 CA SER B 30 6.214 7.950 0.674 1.00 0.00 C ATOM 1505 C SER B 30 6.792 9.111 -0.138 1.00 0.00 C ATOM 1506 O SER B 30 6.982 8.994 -1.347 1.00 0.00 O ATOM 1507 CB SER B 30 7.278 7.374 1.609 1.00 0.00 C ATOM 1508 OG SER B 30 8.598 7.608 1.125 1.00 0.00 O ATOM 0 H SER B 30 6.000 5.979 -0.007 1.00 0.00 H new ATOM 0 HA SER B 30 5.392 8.318 1.287 1.00 0.00 H new ATOM 0 HB2 SER B 30 7.170 7.819 2.598 1.00 0.00 H new ATOM 0 HB3 SER B 30 7.118 6.302 1.723 1.00 0.00 H new ATOM 0 HG SER B 30 9.248 7.226 1.751 1.00 0.00 H new ATOM 1514 N PRO B 31 7.064 10.234 0.579 1.00 0.00 N ATOM 1515 CA PRO B 31 7.617 11.415 -0.061 1.00 0.00 C ATOM 1516 C PRO B 31 9.100 11.220 -0.383 1.00 0.00 C ATOM 1517 O PRO B 31 9.679 10.184 -0.060 1.00 0.00 O ATOM 1518 CB PRO B 31 7.367 12.548 0.921 1.00 0.00 C ATOM 1519 CG PRO B 31 7.105 11.886 2.263 1.00 0.00 C ATOM 1520 CD PRO B 31 6.853 10.408 2.013 1.00 0.00 C ATOM 0 HA PRO B 31 7.151 11.629 -1.023 1.00 0.00 H new ATOM 0 HB2 PRO B 31 8.228 13.214 0.976 1.00 0.00 H new ATOM 0 HB3 PRO B 31 6.515 13.153 0.611 1.00 0.00 H new ATOM 0 HG2 PRO B 31 7.958 12.021 2.928 1.00 0.00 H new ATOM 0 HG3 PRO B 31 6.245 12.342 2.752 1.00 0.00 H new ATOM 0 HD2 PRO B 31 7.536 9.786 2.592 1.00 0.00 H new ATOM 0 HD3 PRO B 31 5.841 10.124 2.302 1.00 0.00 H new ATOM 1528 N GLY B 32 9.673 12.233 -1.017 1.00 0.00 N ATOM 1529 CA GLY B 32 11.078 12.186 -1.387 1.00 0.00 C ATOM 1530 C GLY B 32 11.696 13.585 -1.371 1.00 0.00 C ATOM 1531 O GLY B 32 11.155 14.500 -0.751 1.00 0.00 O ATOM 0 H GLY B 32 9.190 13.091 -1.284 1.00 0.00 H new ATOM 0 HA2 GLY B 32 11.618 11.538 -0.697 1.00 0.00 H new ATOM 0 HA3 GLY B 32 11.182 11.750 -2.381 1.00 0.00 H new ATOM 1535 N PRO B 33 12.852 13.711 -2.077 1.00 0.00 N ATOM 1536 CA PRO B 33 13.549 14.984 -2.149 1.00 0.00 C ATOM 1537 C PRO B 33 12.828 15.952 -3.089 1.00 0.00 C ATOM 1538 O PRO B 33 13.289 17.072 -3.305 1.00 0.00 O ATOM 1539 CB PRO B 33 14.953 14.636 -2.617 1.00 0.00 C ATOM 1540 CG PRO B 33 14.856 13.250 -3.233 1.00 0.00 C ATOM 1541 CD PRO B 33 13.521 12.650 -2.823 1.00 0.00 C ATOM 0 HA PRO B 33 13.579 15.503 -1.191 1.00 0.00 H new ATOM 0 HB2 PRO B 33 15.313 15.363 -3.345 1.00 0.00 H new ATOM 0 HB3 PRO B 33 15.656 14.645 -1.784 1.00 0.00 H new ATOM 0 HG2 PRO B 33 14.931 13.309 -4.319 1.00 0.00 H new ATOM 0 HG3 PRO B 33 15.678 12.622 -2.891 1.00 0.00 H new ATOM 0 HD2 PRO B 33 12.938 12.349 -3.693 1.00 0.00 H new ATOM 0 HD3 PRO B 33 13.659 11.760 -2.209 1.00 0.00 H new ATOM 1549 N HIS B 34 11.710 15.485 -3.624 1.00 0.00 N ATOM 1550 CA HIS B 34 10.920 16.295 -4.536 1.00 0.00 C ATOM 1551 C HIS B 34 9.599 16.680 -3.868 1.00 0.00 C ATOM 1552 O HIS B 34 9.245 17.857 -3.816 1.00 0.00 O ATOM 1553 CB HIS B 34 10.722 15.574 -5.870 1.00 0.00 C ATOM 1554 CG HIS B 34 10.651 14.071 -5.752 1.00 0.00 C ATOM 1555 ND1 HIS B 34 11.733 13.297 -5.367 1.00 0.00 N ATOM 1556 CD2 HIS B 34 9.618 13.207 -5.970 1.00 0.00 C ATOM 1557 CE1 HIS B 34 11.356 12.027 -5.359 1.00 0.00 C ATOM 1558 NE2 HIS B 34 10.045 11.973 -5.733 1.00 0.00 N ATOM 0 H HIS B 34 11.332 14.555 -3.443 1.00 0.00 H new ATOM 0 HA HIS B 34 11.454 17.218 -4.764 1.00 0.00 H new ATOM 0 HB2 HIS B 34 9.804 15.935 -6.334 1.00 0.00 H new ATOM 0 HB3 HIS B 34 11.542 15.837 -6.538 1.00 0.00 H new ATOM 0 HD2 HIS B 34 8.621 13.481 -6.283 1.00 0.00 H new ATOM 0 HE1 HIS B 34 11.978 11.182 -5.101 1.00 0.00 H new ATOM 0 HE2 HIS B 34 9.485 11.124 -5.817 1.00 0.00 H new ATOM 1566 N CYS B 35 8.905 15.665 -3.373 1.00 0.00 N ATOM 1567 CA CYS B 35 7.631 15.882 -2.710 1.00 0.00 C ATOM 1568 C CYS B 35 7.783 15.496 -1.238 1.00 0.00 C ATOM 1569 O CYS B 35 8.156 14.367 -0.924 1.00 0.00 O ATOM 1570 CB CYS B 35 6.500 15.107 -3.390 1.00 0.00 C ATOM 1571 SG CYS B 35 5.138 16.144 -4.036 1.00 0.00 S ATOM 0 H CYS B 35 9.202 14.690 -3.418 1.00 0.00 H new ATOM 0 HA CYS B 35 7.356 16.934 -2.782 1.00 0.00 H new ATOM 0 HB2 CYS B 35 6.919 14.528 -4.213 1.00 0.00 H new ATOM 0 HB3 CYS B 35 6.087 14.394 -2.677 1.00 0.00 H new ATOM 1576 N ALA B 36 7.486 16.456 -0.373 1.00 0.00 N ATOM 1577 CA ALA B 36 7.585 16.230 1.058 1.00 0.00 C ATOM 1578 C ALA B 36 6.230 15.762 1.592 1.00 0.00 C ATOM 1579 O ALA B 36 5.930 15.932 2.772 1.00 0.00 O ATOM 1580 CB ALA B 36 8.071 17.509 1.744 1.00 0.00 C ATOM 0 H ALA B 36 7.177 17.392 -0.637 1.00 0.00 H new ATOM 0 HA ALA B 36 8.312 15.447 1.273 1.00 0.00 H new ATOM 0 HB1 ALA B 36 8.145 17.340 2.818 1.00 0.00 H new ATOM 0 HB2 ALA B 36 9.050 17.783 1.351 1.00 0.00 H new ATOM 0 HB3 ALA B 36 7.364 18.316 1.552 1.00 0.00 H new ATOM 1586 N GLN B 37 5.446 15.180 0.695 1.00 0.00 N ATOM 1587 CA GLN B 37 4.130 14.686 1.061 1.00 0.00 C ATOM 1588 C GLN B 37 3.954 13.242 0.586 1.00 0.00 C ATOM 1589 O GLN B 37 4.553 12.834 -0.409 1.00 0.00 O ATOM 1590 CB GLN B 37 3.029 15.586 0.495 1.00 0.00 C ATOM 1591 CG GLN B 37 3.482 17.047 0.457 1.00 0.00 C ATOM 1592 CD GLN B 37 3.647 17.607 1.871 1.00 0.00 C ATOM 1593 OE1 GLN B 37 4.822 18.193 2.087 1.00 0.00 O flip ATOM 1594 NE2 GLN B 37 2.767 17.514 2.710 1.00 0.00 N flip ATOM 0 H GLN B 37 5.697 15.040 -0.284 1.00 0.00 H new ATOM 0 HA GLN B 37 4.046 14.704 2.148 1.00 0.00 H new ATOM 0 HB2 GLN B 37 2.766 15.257 -0.510 1.00 0.00 H new ATOM 0 HB3 GLN B 37 2.131 15.496 1.105 1.00 0.00 H new ATOM 0 HG2 GLN B 37 4.427 17.125 -0.081 1.00 0.00 H new ATOM 0 HG3 GLN B 37 2.753 17.643 -0.091 1.00 0.00 H new ATOM 0 HE21 GLN B 37 1.888 17.051 2.478 1.00 0.00 H new ATOM 0 HE22 GLN B 37 2.910 17.899 3.644 1.00 0.00 H new ATOM 1603 N THR B 38 3.131 12.507 1.320 1.00 0.00 N ATOM 1604 CA THR B 38 2.870 11.117 0.986 1.00 0.00 C ATOM 1605 C THR B 38 1.927 11.025 -0.215 1.00 0.00 C ATOM 1606 O THR B 38 1.268 12.002 -0.568 1.00 0.00 O ATOM 1607 CB THR B 38 2.328 10.424 2.238 1.00 0.00 C ATOM 1608 OG1 THR B 38 3.289 10.727 3.246 1.00 0.00 O ATOM 1609 CG2 THR B 38 2.371 8.899 2.128 1.00 0.00 C ATOM 0 H THR B 38 2.636 12.848 2.144 1.00 0.00 H new ATOM 0 HA THR B 38 3.783 10.605 0.682 1.00 0.00 H new ATOM 0 HB THR B 38 1.302 10.746 2.416 1.00 0.00 H new ATOM 0 HG1 THR B 38 3.015 10.317 4.093 1.00 0.00 H new ATOM 0 HG21 THR B 38 1.975 8.457 3.042 1.00 0.00 H new ATOM 0 HG22 THR B 38 1.767 8.578 1.279 1.00 0.00 H new ATOM 0 HG23 THR B 38 3.401 8.574 1.984 1.00 0.00 H new ATOM 1617 N GLU B 39 1.892 9.842 -0.811 1.00 0.00 N ATOM 1618 CA GLU B 39 1.041 9.610 -1.965 1.00 0.00 C ATOM 1619 C GLU B 39 0.397 8.225 -1.880 1.00 0.00 C ATOM 1620 O GLU B 39 0.895 7.267 -2.470 1.00 0.00 O ATOM 1621 CB GLU B 39 1.828 9.770 -3.268 1.00 0.00 C ATOM 1622 CG GLU B 39 1.836 11.228 -3.728 1.00 0.00 C ATOM 1623 CD GLU B 39 3.266 11.762 -3.833 1.00 0.00 C ATOM 1624 OE1 GLU B 39 3.871 11.556 -4.907 1.00 0.00 O ATOM 1625 OE2 GLU B 39 3.721 12.364 -2.837 1.00 0.00 O ATOM 0 H GLU B 39 2.440 9.034 -0.516 1.00 0.00 H new ATOM 0 HA GLU B 39 0.248 10.358 -1.964 1.00 0.00 H new ATOM 0 HB2 GLU B 39 2.852 9.425 -3.123 1.00 0.00 H new ATOM 0 HB3 GLU B 39 1.387 9.143 -4.043 1.00 0.00 H new ATOM 0 HG2 GLU B 39 1.341 11.310 -4.696 1.00 0.00 H new ATOM 0 HG3 GLU B 39 1.267 11.838 -3.026 1.00 0.00 H new ATOM 1632 N VAL B 40 -0.701 8.162 -1.140 1.00 0.00 N ATOM 1633 CA VAL B 40 -1.418 6.910 -0.970 1.00 0.00 C ATOM 1634 C VAL B 40 -2.313 6.670 -2.188 1.00 0.00 C ATOM 1635 O VAL B 40 -3.168 7.495 -2.506 1.00 0.00 O ATOM 1636 CB VAL B 40 -2.194 6.927 0.348 1.00 0.00 C ATOM 1637 CG1 VAL B 40 -3.024 5.652 0.512 1.00 0.00 C ATOM 1638 CG2 VAL B 40 -1.252 7.124 1.537 1.00 0.00 C ATOM 0 H VAL B 40 -1.111 8.958 -0.652 1.00 0.00 H new ATOM 0 HA VAL B 40 -0.720 6.075 -0.910 1.00 0.00 H new ATOM 0 HB VAL B 40 -2.881 7.773 0.321 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -3.566 5.690 1.457 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -3.735 5.572 -0.311 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -2.364 4.785 0.507 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -1.830 7.132 2.461 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -0.530 6.308 1.568 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -0.725 8.072 1.430 1.00 0.00 H new ATOM 1648 N ILE B 41 -2.085 5.537 -2.835 1.00 0.00 N ATOM 1649 CA ILE B 41 -2.860 5.178 -4.011 1.00 0.00 C ATOM 1650 C ILE B 41 -3.482 3.796 -3.804 1.00 0.00 C ATOM 1651 O ILE B 41 -2.772 2.792 -3.764 1.00 0.00 O ATOM 1652 CB ILE B 41 -2.001 5.284 -5.272 1.00 0.00 C ATOM 1653 CG1 ILE B 41 -1.190 6.581 -5.276 1.00 0.00 C ATOM 1654 CG2 ILE B 41 -2.856 5.138 -6.532 1.00 0.00 C ATOM 1655 CD1 ILE B 41 0.307 6.292 -5.406 1.00 0.00 C ATOM 0 H ILE B 41 -1.375 4.855 -2.568 1.00 0.00 H new ATOM 0 HA ILE B 41 -3.682 5.879 -4.154 1.00 0.00 H new ATOM 0 HB ILE B 41 -1.288 4.459 -5.270 1.00 0.00 H new ATOM 0 HG12 ILE B 41 -1.515 7.214 -6.102 1.00 0.00 H new ATOM 0 HG13 ILE B 41 -1.378 7.135 -4.356 1.00 0.00 H new ATOM 0 HG21 ILE B 41 -2.221 5.217 -7.414 1.00 0.00 H new ATOM 0 HG22 ILE B 41 -3.349 4.166 -6.526 1.00 0.00 H new ATOM 0 HG23 ILE B 41 -3.608 5.927 -6.555 1.00 0.00 H new ATOM 0 HD11 ILE B 41 0.860 7.231 -5.406 1.00 0.00 H new ATOM 0 HD12 ILE B 41 0.633 5.679 -4.566 1.00 0.00 H new ATOM 0 HD13 ILE B 41 0.495 5.760 -6.338 1.00 0.00 H new ATOM 1667 N ALA B 42 -4.801 3.788 -3.679 1.00 0.00 N ATOM 1668 CA ALA B 42 -5.526 2.545 -3.478 1.00 0.00 C ATOM 1669 C ALA B 42 -6.137 2.095 -4.806 1.00 0.00 C ATOM 1670 O ALA B 42 -6.796 2.879 -5.488 1.00 0.00 O ATOM 1671 CB ALA B 42 -6.581 2.740 -2.387 1.00 0.00 C ATOM 0 H ALA B 42 -5.386 4.623 -3.713 1.00 0.00 H new ATOM 0 HA ALA B 42 -4.851 1.757 -3.142 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -7.125 1.808 -2.236 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -6.093 3.030 -1.457 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -7.278 3.522 -2.690 1.00 0.00 H new ATOM 1677 N THR B 43 -5.898 0.834 -5.134 1.00 0.00 N ATOM 1678 CA THR B 43 -6.416 0.270 -6.369 1.00 0.00 C ATOM 1679 C THR B 43 -7.873 -0.161 -6.188 1.00 0.00 C ATOM 1680 O THR B 43 -8.256 -0.632 -5.119 1.00 0.00 O ATOM 1681 CB THR B 43 -5.492 -0.874 -6.791 1.00 0.00 C ATOM 1682 OG1 THR B 43 -4.295 -0.219 -7.202 1.00 0.00 O ATOM 1683 CG2 THR B 43 -5.981 -1.585 -8.055 1.00 0.00 C ATOM 0 H THR B 43 -5.352 0.186 -4.566 1.00 0.00 H new ATOM 0 HA THR B 43 -6.426 1.011 -7.169 1.00 0.00 H new ATOM 0 HB THR B 43 -5.411 -1.595 -5.977 1.00 0.00 H new ATOM 0 HG1 THR B 43 -3.639 -0.887 -7.491 1.00 0.00 H new ATOM 0 HG21 THR B 43 -5.290 -2.388 -8.311 1.00 0.00 H new ATOM 0 HG22 THR B 43 -6.972 -2.002 -7.877 1.00 0.00 H new ATOM 0 HG23 THR B 43 -6.030 -0.872 -8.878 1.00 0.00 H new ATOM 1691 N LEU B 44 -8.645 0.017 -7.250 1.00 0.00 N ATOM 1692 CA LEU B 44 -10.052 -0.347 -7.222 1.00 0.00 C ATOM 1693 C LEU B 44 -10.215 -1.773 -7.752 1.00 0.00 C ATOM 1694 O LEU B 44 -9.435 -2.220 -8.592 1.00 0.00 O ATOM 1695 CB LEU B 44 -10.889 0.689 -7.974 1.00 0.00 C ATOM 1696 CG LEU B 44 -12.134 1.201 -7.247 1.00 0.00 C ATOM 1697 CD1 LEU B 44 -12.649 2.493 -7.885 1.00 0.00 C ATOM 1698 CD2 LEU B 44 -13.217 0.121 -7.187 1.00 0.00 C ATOM 0 H LEU B 44 -8.323 0.408 -8.135 1.00 0.00 H new ATOM 0 HA LEU B 44 -10.427 -0.342 -6.199 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -10.252 1.542 -8.207 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -11.200 0.255 -8.924 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.857 1.437 -6.220 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -13.534 2.836 -7.349 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -11.875 3.258 -7.833 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -12.905 2.307 -8.928 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -14.091 0.511 -6.665 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -13.498 -0.169 -8.199 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -12.834 -0.749 -6.654 1.00 0.00 H new ATOM 1710 N LYS B 45 -11.235 -2.447 -7.241 1.00 0.00 N ATOM 1711 CA LYS B 45 -11.511 -3.813 -7.653 1.00 0.00 C ATOM 1712 C LYS B 45 -12.104 -3.806 -9.063 1.00 0.00 C ATOM 1713 O LYS B 45 -12.334 -4.863 -9.649 1.00 0.00 O ATOM 1714 CB LYS B 45 -12.391 -4.517 -6.619 1.00 0.00 C ATOM 1715 CG LYS B 45 -13.209 -5.637 -7.266 1.00 0.00 C ATOM 1716 CD LYS B 45 -12.296 -6.726 -7.832 1.00 0.00 C ATOM 1717 CE LYS B 45 -12.391 -8.007 -7.001 1.00 0.00 C ATOM 1718 NZ LYS B 45 -12.002 -7.744 -5.597 1.00 0.00 N ATOM 0 H LYS B 45 -11.880 -2.073 -6.545 1.00 0.00 H new ATOM 0 HA LYS B 45 -10.588 -4.391 -7.698 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -11.767 -4.929 -5.826 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -13.061 -3.794 -6.154 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -13.885 -6.071 -6.529 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -13.828 -5.226 -8.063 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -12.573 -6.937 -8.865 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -11.265 -6.372 -7.844 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -13.409 -8.396 -7.036 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -11.743 -8.773 -7.427 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -12.623 -8.281 -4.958 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -11.015 -8.038 -5.449 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -12.094 -6.728 -5.396 1.00 0.00 H new ATOM 1732 N ASN B 46 -12.335 -2.603 -9.567 1.00 0.00 N ATOM 1733 CA ASN B 46 -12.897 -2.444 -10.898 1.00 0.00 C ATOM 1734 C ASN B 46 -11.769 -2.169 -11.894 1.00 0.00 C ATOM 1735 O ASN B 46 -11.987 -2.188 -13.104 1.00 0.00 O ATOM 1736 CB ASN B 46 -13.870 -1.264 -10.947 1.00 0.00 C ATOM 1737 CG ASN B 46 -13.725 -0.489 -12.258 1.00 0.00 C ATOM 1738 OD1 ASN B 46 -13.954 -1.001 -13.341 1.00 0.00 O ATOM 1739 ND2 ASN B 46 -13.332 0.772 -12.100 1.00 0.00 N ATOM 0 H ASN B 46 -12.143 -1.729 -9.078 1.00 0.00 H new ATOM 0 HA ASN B 46 -13.429 -3.361 -11.151 1.00 0.00 H new ATOM 0 HB2 ASN B 46 -14.893 -1.627 -10.846 1.00 0.00 H new ATOM 0 HB3 ASN B 46 -13.683 -0.598 -10.104 1.00 0.00 H new ATOM 0 HD21 ASN B 46 -13.205 1.373 -12.915 1.00 0.00 H new ATOM 0 HD22 ASN B 46 -13.157 1.138 -11.164 1.00 0.00 H new ATOM 1746 N GLY B 47 -10.588 -1.920 -11.347 1.00 0.00 N ATOM 1747 CA GLY B 47 -9.425 -1.641 -12.173 1.00 0.00 C ATOM 1748 C GLY B 47 -8.989 -0.181 -12.031 1.00 0.00 C ATOM 1749 O GLY B 47 -7.901 0.190 -12.468 1.00 0.00 O ATOM 0 H GLY B 47 -10.411 -1.906 -10.343 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -8.605 -2.299 -11.886 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -9.656 -1.856 -13.216 1.00 0.00 H new ATOM 1753 N GLN B 48 -9.861 0.607 -11.420 1.00 0.00 N ATOM 1754 CA GLN B 48 -9.580 2.017 -11.215 1.00 0.00 C ATOM 1755 C GLN B 48 -8.715 2.211 -9.968 1.00 0.00 C ATOM 1756 O GLN B 48 -8.284 1.238 -9.350 1.00 0.00 O ATOM 1757 CB GLN B 48 -10.875 2.826 -11.115 1.00 0.00 C ATOM 1758 CG GLN B 48 -11.307 3.342 -12.489 1.00 0.00 C ATOM 1759 CD GLN B 48 -12.416 4.388 -12.357 1.00 0.00 C ATOM 1760 OE1 GLN B 48 -13.441 4.169 -11.732 1.00 0.00 O ATOM 1761 NE2 GLN B 48 -12.155 5.534 -12.980 1.00 0.00 N ATOM 0 H GLN B 48 -10.763 0.295 -11.060 1.00 0.00 H new ATOM 0 HA GLN B 48 -9.026 2.385 -12.078 1.00 0.00 H new ATOM 0 HB2 GLN B 48 -11.664 2.205 -10.691 1.00 0.00 H new ATOM 0 HB3 GLN B 48 -10.731 3.666 -10.436 1.00 0.00 H new ATOM 0 HG2 GLN B 48 -10.451 3.778 -13.004 1.00 0.00 H new ATOM 0 HG3 GLN B 48 -11.657 2.510 -13.100 1.00 0.00 H new ATOM 0 HE21 GLN B 48 -11.277 5.651 -13.485 1.00 0.00 H new ATOM 0 HE22 GLN B 48 -12.833 6.296 -12.952 1.00 0.00 H new ATOM 1770 N LYS B 49 -8.485 3.472 -9.636 1.00 0.00 N ATOM 1771 CA LYS B 49 -7.679 3.806 -8.474 1.00 0.00 C ATOM 1772 C LYS B 49 -8.254 5.053 -7.800 1.00 0.00 C ATOM 1773 O LYS B 49 -8.773 5.943 -8.472 1.00 0.00 O ATOM 1774 CB LYS B 49 -6.206 3.942 -8.865 1.00 0.00 C ATOM 1775 CG LYS B 49 -5.696 2.664 -9.533 1.00 0.00 C ATOM 1776 CD LYS B 49 -5.907 2.715 -11.048 1.00 0.00 C ATOM 1777 CE LYS B 49 -4.663 2.227 -11.792 1.00 0.00 C ATOM 1778 NZ LYS B 49 -4.062 3.329 -12.576 1.00 0.00 N ATOM 0 H LYS B 49 -8.843 4.276 -10.152 1.00 0.00 H new ATOM 0 HA LYS B 49 -7.717 3.001 -7.740 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -6.083 4.786 -9.544 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -5.609 4.156 -7.979 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -4.636 2.533 -9.314 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -6.216 1.800 -9.119 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -6.763 2.098 -11.320 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -6.140 3.735 -11.352 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -3.934 1.840 -11.080 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -4.928 1.404 -12.455 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -3.219 2.980 -13.075 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -4.754 3.680 -13.269 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -3.791 4.103 -11.936 1.00 0.00 H new ATOM 1792 N ALA B 50 -8.143 5.078 -6.480 1.00 0.00 N ATOM 1793 CA ALA B 50 -8.645 6.202 -5.708 1.00 0.00 C ATOM 1794 C ALA B 50 -7.572 6.654 -4.715 1.00 0.00 C ATOM 1795 O ALA B 50 -7.276 5.948 -3.752 1.00 0.00 O ATOM 1796 CB ALA B 50 -9.950 5.803 -5.015 1.00 0.00 C ATOM 0 H ALA B 50 -7.713 4.338 -5.925 1.00 0.00 H new ATOM 0 HA ALA B 50 -8.867 7.047 -6.360 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -10.327 6.646 -4.436 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -10.688 5.519 -5.765 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -9.766 4.959 -4.350 1.00 0.00 H new ATOM 1802 N CYS B 51 -7.019 7.827 -4.984 1.00 0.00 N ATOM 1803 CA CYS B 51 -5.985 8.381 -4.127 1.00 0.00 C ATOM 1804 C CYS B 51 -6.617 8.732 -2.778 1.00 0.00 C ATOM 1805 O CYS B 51 -7.725 9.263 -2.726 1.00 0.00 O ATOM 1806 CB CYS B 51 -5.305 9.592 -4.770 1.00 0.00 C ATOM 1807 SG CYS B 51 -3.643 9.261 -5.460 1.00 0.00 S ATOM 0 H CYS B 51 -7.268 8.409 -5.784 1.00 0.00 H new ATOM 0 HA CYS B 51 -5.198 7.642 -3.978 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -5.945 9.970 -5.567 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -5.223 10.383 -4.025 1.00 0.00 H new ATOM 1812 N LEU B 52 -5.884 8.419 -1.719 1.00 0.00 N ATOM 1813 CA LEU B 52 -6.359 8.694 -0.373 1.00 0.00 C ATOM 1814 C LEU B 52 -5.513 9.810 0.243 1.00 0.00 C ATOM 1815 O LEU B 52 -4.444 10.138 -0.269 1.00 0.00 O ATOM 1816 CB LEU B 52 -6.384 7.411 0.459 1.00 0.00 C ATOM 1817 CG LEU B 52 -7.262 6.279 -0.080 1.00 0.00 C ATOM 1818 CD1 LEU B 52 -6.876 4.939 0.549 1.00 0.00 C ATOM 1819 CD2 LEU B 52 -8.746 6.597 0.114 1.00 0.00 C ATOM 0 H LEU B 52 -4.965 7.978 -1.766 1.00 0.00 H new ATOM 0 HA LEU B 52 -7.389 9.050 -0.398 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -5.363 7.040 0.550 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -6.723 7.660 1.464 1.00 0.00 H new ATOM 0 HG LEU B 52 -7.089 6.193 -1.153 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -7.515 4.152 0.149 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -5.835 4.714 0.317 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -7.003 4.995 1.630 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -9.348 5.777 -0.277 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -8.955 6.726 1.176 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -8.994 7.515 -0.418 1.00 0.00 H new ATOM 1831 N ASN B 53 -6.024 10.363 1.334 1.00 0.00 N ATOM 1832 CA ASN B 53 -5.328 11.435 2.026 1.00 0.00 C ATOM 1833 C ASN B 53 -4.604 10.863 3.246 1.00 0.00 C ATOM 1834 O ASN B 53 -5.240 10.353 4.167 1.00 0.00 O ATOM 1835 CB ASN B 53 -6.309 12.502 2.515 1.00 0.00 C ATOM 1836 CG ASN B 53 -5.569 13.660 3.188 1.00 0.00 C ATOM 1837 OD1 ASN B 53 -4.452 14.003 2.838 1.00 0.00 O ATOM 1838 ND2 ASN B 53 -6.253 14.241 4.170 1.00 0.00 N ATOM 0 H ASN B 53 -6.911 10.089 1.755 1.00 0.00 H new ATOM 0 HA ASN B 53 -4.623 11.886 1.327 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -6.892 12.878 1.674 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -7.014 12.058 3.218 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -5.846 15.024 4.681 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -7.185 13.903 4.412 1.00 0.00 H new ATOM 1845 N PRO B 54 -3.249 10.971 3.213 1.00 0.00 N ATOM 1846 CA PRO B 54 -2.431 10.470 4.305 1.00 0.00 C ATOM 1847 C PRO B 54 -2.509 11.399 5.518 1.00 0.00 C ATOM 1848 O PRO B 54 -1.867 11.149 6.537 1.00 0.00 O ATOM 1849 CB PRO B 54 -1.028 10.362 3.728 1.00 0.00 C ATOM 1850 CG PRO B 54 -1.019 11.239 2.487 1.00 0.00 C ATOM 1851 CD PRO B 54 -2.461 11.569 2.138 1.00 0.00 C ATOM 0 HA PRO B 54 -2.770 9.503 4.676 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -0.282 10.698 4.449 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -0.787 9.329 3.478 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -0.452 12.152 2.669 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -0.534 10.723 1.658 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -2.619 12.646 2.084 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -2.738 11.157 1.168 1.00 0.00 H new ATOM 1859 N ALA B 55 -3.301 12.450 5.368 1.00 0.00 N ATOM 1860 CA ALA B 55 -3.471 13.417 6.439 1.00 0.00 C ATOM 1861 C ALA B 55 -4.820 13.183 7.123 1.00 0.00 C ATOM 1862 O ALA B 55 -5.212 13.941 8.008 1.00 0.00 O ATOM 1863 CB ALA B 55 -3.343 14.833 5.874 1.00 0.00 C ATOM 0 H ALA B 55 -3.832 12.653 4.521 1.00 0.00 H new ATOM 0 HA ALA B 55 -2.693 13.295 7.193 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -3.471 15.558 6.678 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -2.357 14.958 5.425 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -4.110 14.993 5.116 1.00 0.00 H new ATOM 1869 N SER B 56 -5.493 12.128 6.686 1.00 0.00 N ATOM 1870 CA SER B 56 -6.790 11.784 7.244 1.00 0.00 C ATOM 1871 C SER B 56 -6.679 10.505 8.076 1.00 0.00 C ATOM 1872 O SER B 56 -5.873 9.628 7.767 1.00 0.00 O ATOM 1873 CB SER B 56 -7.836 11.611 6.141 1.00 0.00 C ATOM 1874 OG SER B 56 -9.063 11.092 6.646 1.00 0.00 O ATOM 0 H SER B 56 -5.164 11.500 5.952 1.00 0.00 H new ATOM 0 HA SER B 56 -7.113 12.602 7.888 1.00 0.00 H new ATOM 0 HB2 SER B 56 -8.019 12.572 5.661 1.00 0.00 H new ATOM 0 HB3 SER B 56 -7.447 10.941 5.374 1.00 0.00 H new ATOM 0 HG SER B 56 -9.705 10.998 5.912 1.00 0.00 H new ATOM 1880 N PRO B 57 -7.521 10.437 9.141 1.00 0.00 N ATOM 1881 CA PRO B 57 -7.525 9.279 10.019 1.00 0.00 C ATOM 1882 C PRO B 57 -8.216 8.088 9.353 1.00 0.00 C ATOM 1883 O PRO B 57 -7.713 6.966 9.403 1.00 0.00 O ATOM 1884 CB PRO B 57 -8.231 9.745 11.282 1.00 0.00 C ATOM 1885 CG PRO B 57 -9.004 10.994 10.890 1.00 0.00 C ATOM 1886 CD PRO B 57 -8.488 11.456 9.537 1.00 0.00 C ATOM 0 HA PRO B 57 -6.521 8.922 10.248 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -8.901 8.974 11.662 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -7.513 9.962 12.073 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -10.072 10.782 10.839 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -8.870 11.776 11.637 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -9.297 11.537 8.811 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -8.022 12.439 9.606 1.00 0.00 H new ATOM 1894 N MET B 58 -9.358 8.372 8.744 1.00 0.00 N ATOM 1895 CA MET B 58 -10.123 7.338 8.068 1.00 0.00 C ATOM 1896 C MET B 58 -9.292 6.669 6.971 1.00 0.00 C ATOM 1897 O MET B 58 -9.598 5.555 6.549 1.00 0.00 O ATOM 1898 CB MET B 58 -11.381 7.953 7.453 1.00 0.00 C ATOM 1899 CG MET B 58 -12.564 6.987 7.541 1.00 0.00 C ATOM 1900 SD MET B 58 -13.720 7.549 8.781 1.00 0.00 S ATOM 1901 CE MET B 58 -12.999 6.807 10.235 1.00 0.00 C ATOM 0 H MET B 58 -9.772 9.303 8.705 1.00 0.00 H new ATOM 0 HA MET B 58 -10.400 6.580 8.801 1.00 0.00 H new ATOM 0 HB2 MET B 58 -11.626 8.881 7.969 1.00 0.00 H new ATOM 0 HB3 MET B 58 -11.193 8.208 6.410 1.00 0.00 H new ATOM 0 HG2 MET B 58 -13.061 6.918 6.573 1.00 0.00 H new ATOM 0 HG3 MET B 58 -12.210 5.987 7.789 1.00 0.00 H new ATOM 0 HE1 MET B 58 -13.610 7.044 11.106 1.00 0.00 H new ATOM 0 HE2 MET B 58 -12.954 5.725 10.107 1.00 0.00 H new ATOM 0 HE3 MET B 58 -11.992 7.197 10.381 1.00 0.00 H new ATOM 1911 N VAL B 59 -8.258 7.377 6.542 1.00 0.00 N ATOM 1912 CA VAL B 59 -7.381 6.866 5.502 1.00 0.00 C ATOM 1913 C VAL B 59 -6.345 5.931 6.129 1.00 0.00 C ATOM 1914 O VAL B 59 -5.537 5.331 5.422 1.00 0.00 O ATOM 1915 CB VAL B 59 -6.749 8.028 4.733 1.00 0.00 C ATOM 1916 CG1 VAL B 59 -5.566 7.548 3.890 1.00 0.00 C ATOM 1917 CG2 VAL B 59 -7.788 8.740 3.865 1.00 0.00 C ATOM 0 H VAL B 59 -8.008 8.300 6.896 1.00 0.00 H new ATOM 0 HA VAL B 59 -7.948 6.283 4.776 1.00 0.00 H new ATOM 0 HB VAL B 59 -6.372 8.746 5.461 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -5.135 8.393 3.354 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -4.811 7.108 4.541 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -5.909 6.801 3.174 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -7.313 9.562 3.329 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -8.209 8.034 3.148 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -8.584 9.132 4.498 1.00 0.00 H new ATOM 1927 N LYS B 60 -6.403 5.836 7.450 1.00 0.00 N ATOM 1928 CA LYS B 60 -5.480 4.984 8.180 1.00 0.00 C ATOM 1929 C LYS B 60 -6.227 3.750 8.691 1.00 0.00 C ATOM 1930 O LYS B 60 -5.653 2.920 9.394 1.00 0.00 O ATOM 1931 CB LYS B 60 -4.776 5.777 9.283 1.00 0.00 C ATOM 1932 CG LYS B 60 -4.330 7.149 8.772 1.00 0.00 C ATOM 1933 CD LYS B 60 -3.091 7.026 7.881 1.00 0.00 C ATOM 1934 CE LYS B 60 -1.859 6.649 8.706 1.00 0.00 C ATOM 1935 NZ LYS B 60 -0.986 7.829 8.902 1.00 0.00 N ATOM 0 H LYS B 60 -7.075 6.335 8.033 1.00 0.00 H new ATOM 0 HA LYS B 60 -4.688 4.628 7.521 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -5.448 5.902 10.132 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -3.911 5.219 9.641 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -5.141 7.613 8.211 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -4.112 7.802 9.617 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -3.264 6.272 7.113 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -2.914 7.970 7.366 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -2.169 6.254 9.673 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -1.304 5.858 8.201 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -0.154 7.556 9.464 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -0.676 8.189 7.977 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -1.514 8.572 9.403 1.00 0.00 H new ATOM 1949 N LYS B 61 -7.495 3.669 8.317 1.00 0.00 N ATOM 1950 CA LYS B 61 -8.327 2.551 8.729 1.00 0.00 C ATOM 1951 C LYS B 61 -8.797 1.787 7.490 1.00 0.00 C ATOM 1952 O LYS B 61 -9.265 0.654 7.595 1.00 0.00 O ATOM 1953 CB LYS B 61 -9.470 3.034 9.624 1.00 0.00 C ATOM 1954 CG LYS B 61 -10.624 3.589 8.787 1.00 0.00 C ATOM 1955 CD LYS B 61 -11.736 2.550 8.629 1.00 0.00 C ATOM 1956 CE LYS B 61 -13.059 3.216 8.246 1.00 0.00 C ATOM 1957 NZ LYS B 61 -13.943 2.253 7.553 1.00 0.00 N ATOM 0 H LYS B 61 -7.967 4.359 7.733 1.00 0.00 H new ATOM 0 HA LYS B 61 -7.752 1.852 9.336 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -9.827 2.209 10.241 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -9.105 3.805 10.303 1.00 0.00 H new ATOM 0 HG2 LYS B 61 -11.024 4.485 9.261 1.00 0.00 H new ATOM 0 HG3 LYS B 61 -10.256 3.885 7.805 1.00 0.00 H new ATOM 0 HD2 LYS B 61 -11.455 1.825 7.865 1.00 0.00 H new ATOM 0 HD3 LYS B 61 -11.859 1.999 9.561 1.00 0.00 H new ATOM 0 HE2 LYS B 61 -13.554 3.595 9.140 1.00 0.00 H new ATOM 0 HE3 LYS B 61 -12.868 4.073 7.600 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 -14.741 2.762 7.123 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 -13.406 1.761 6.811 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 -14.304 1.558 8.238 1.00 0.00 H new ATOM 1971 N ILE B 62 -8.655 2.437 6.344 1.00 0.00 N ATOM 1972 CA ILE B 62 -9.060 1.833 5.086 1.00 0.00 C ATOM 1973 C ILE B 62 -7.862 1.112 4.463 1.00 0.00 C ATOM 1974 O ILE B 62 -8.029 0.280 3.573 1.00 0.00 O ATOM 1975 CB ILE B 62 -9.692 2.881 4.167 1.00 0.00 C ATOM 1976 CG1 ILE B 62 -10.890 3.552 4.844 1.00 0.00 C ATOM 1977 CG2 ILE B 62 -10.066 2.271 2.815 1.00 0.00 C ATOM 1978 CD1 ILE B 62 -11.051 4.996 4.366 1.00 0.00 C ATOM 0 H ILE B 62 -8.265 3.376 6.260 1.00 0.00 H new ATOM 0 HA ILE B 62 -9.833 1.083 5.255 1.00 0.00 H new ATOM 0 HB ILE B 62 -8.952 3.658 3.976 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -11.798 2.989 4.626 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -10.757 3.536 5.926 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -10.513 3.037 2.181 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -9.171 1.878 2.333 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -10.781 1.462 2.966 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -11.909 5.450 4.862 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -10.151 5.562 4.607 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -11.208 5.007 3.287 1.00 0.00 H new ATOM 1990 N ILE B 63 -6.682 1.458 4.956 1.00 0.00 N ATOM 1991 CA ILE B 63 -5.458 0.854 4.459 1.00 0.00 C ATOM 1992 C ILE B 63 -5.093 -0.345 5.337 1.00 0.00 C ATOM 1993 O ILE B 63 -4.929 -1.457 4.838 1.00 0.00 O ATOM 1994 CB ILE B 63 -4.347 1.902 4.356 1.00 0.00 C ATOM 1995 CG1 ILE B 63 -4.631 2.892 3.225 1.00 0.00 C ATOM 1996 CG2 ILE B 63 -2.978 1.236 4.205 1.00 0.00 C ATOM 1997 CD1 ILE B 63 -3.896 4.214 3.456 1.00 0.00 C ATOM 0 H ILE B 63 -6.548 2.149 5.694 1.00 0.00 H new ATOM 0 HA ILE B 63 -5.603 0.476 3.447 1.00 0.00 H new ATOM 0 HB ILE B 63 -4.327 2.472 5.285 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -4.321 2.461 2.273 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -5.703 3.075 3.158 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -2.206 2.003 4.134 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -2.783 0.604 5.072 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -2.968 0.626 3.302 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -4.115 4.900 2.638 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -4.226 4.654 4.397 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -2.822 4.031 3.498 1.00 0.00 H new ATOM 2009 N GLU B 64 -4.975 -0.077 6.629 1.00 0.00 N ATOM 2010 CA GLU B 64 -4.632 -1.120 7.581 1.00 0.00 C ATOM 2011 C GLU B 64 -5.603 -2.295 7.453 1.00 0.00 C ATOM 2012 O GLU B 64 -5.210 -3.450 7.614 1.00 0.00 O ATOM 2013 CB GLU B 64 -4.617 -0.574 9.011 1.00 0.00 C ATOM 2014 CG GLU B 64 -3.507 0.462 9.190 1.00 0.00 C ATOM 2015 CD GLU B 64 -3.801 1.381 10.378 1.00 0.00 C ATOM 2016 OE1 GLU B 64 -4.574 0.943 11.256 1.00 0.00 O ATOM 2017 OE2 GLU B 64 -3.246 2.501 10.380 1.00 0.00 O ATOM 0 H GLU B 64 -5.111 0.847 7.039 1.00 0.00 H new ATOM 0 HA GLU B 64 -3.628 -1.477 7.353 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -5.582 -0.122 9.242 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -4.472 -1.393 9.715 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -2.554 -0.044 9.344 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -3.409 1.056 8.281 1.00 0.00 H new ATOM 2024 N LYS B 65 -6.853 -1.961 7.166 1.00 0.00 N ATOM 2025 CA LYS B 65 -7.883 -2.975 7.014 1.00 0.00 C ATOM 2026 C LYS B 65 -7.639 -3.754 5.720 1.00 0.00 C ATOM 2027 O LYS B 65 -7.880 -4.959 5.662 1.00 0.00 O ATOM 2028 CB LYS B 65 -9.273 -2.342 7.099 1.00 0.00 C ATOM 2029 CG LYS B 65 -9.719 -2.190 8.554 1.00 0.00 C ATOM 2030 CD LYS B 65 -11.183 -2.600 8.725 1.00 0.00 C ATOM 2031 CE LYS B 65 -12.065 -1.382 9.006 1.00 0.00 C ATOM 2032 NZ LYS B 65 -12.622 -0.843 7.744 1.00 0.00 N ATOM 0 H LYS B 65 -7.176 -1.002 7.035 1.00 0.00 H new ATOM 0 HA LYS B 65 -7.835 -3.694 7.832 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -9.262 -1.366 6.615 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -9.991 -2.958 6.558 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -9.088 -2.804 9.197 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -9.588 -1.156 8.872 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -11.531 -3.105 7.824 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -11.271 -3.314 9.544 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -12.876 -1.660 9.679 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -11.482 -0.612 9.511 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -13.426 -0.219 7.958 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -11.888 -0.303 7.243 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -12.944 -1.628 7.143 1.00 0.00 H new ATOM 2046 N MET B 66 -7.164 -3.035 4.714 1.00 0.00 N ATOM 2047 CA MET B 66 -6.885 -3.644 3.425 1.00 0.00 C ATOM 2048 C MET B 66 -5.880 -4.789 3.565 1.00 0.00 C ATOM 2049 O MET B 66 -6.002 -5.812 2.894 1.00 0.00 O ATOM 2050 CB MET B 66 -6.324 -2.587 2.471 1.00 0.00 C ATOM 2051 CG MET B 66 -7.207 -2.446 1.229 1.00 0.00 C ATOM 2052 SD MET B 66 -7.294 -4.004 0.362 1.00 0.00 S ATOM 2053 CE MET B 66 -5.562 -4.260 0.012 1.00 0.00 C ATOM 0 H MET B 66 -6.965 -2.036 4.766 1.00 0.00 H new ATOM 0 HA MET B 66 -7.816 -4.049 3.027 1.00 0.00 H new ATOM 0 HB2 MET B 66 -6.256 -1.628 2.984 1.00 0.00 H new ATOM 0 HB3 MET B 66 -5.312 -2.861 2.173 1.00 0.00 H new ATOM 0 HG2 MET B 66 -8.208 -2.125 1.519 1.00 0.00 H new ATOM 0 HG3 MET B 66 -6.803 -1.676 0.571 1.00 0.00 H new ATOM 0 HE1 MET B 66 -5.454 -4.733 -0.964 1.00 0.00 H new ATOM 0 HE2 MET B 66 -5.046 -3.300 0.009 1.00 0.00 H new ATOM 0 HE3 MET B 66 -5.127 -4.903 0.777 1.00 0.00 H new ATOM 2063 N LEU B 67 -4.910 -4.578 4.443 1.00 0.00 N ATOM 2064 CA LEU B 67 -3.885 -5.580 4.680 1.00 0.00 C ATOM 2065 C LEU B 67 -4.507 -6.781 5.395 1.00 0.00 C ATOM 2066 O LEU B 67 -3.908 -7.854 5.451 1.00 0.00 O ATOM 2067 CB LEU B 67 -2.699 -4.967 5.427 1.00 0.00 C ATOM 2068 CG LEU B 67 -1.749 -4.110 4.588 1.00 0.00 C ATOM 2069 CD1 LEU B 67 -2.512 -3.011 3.846 1.00 0.00 C ATOM 2070 CD2 LEU B 67 -0.619 -3.541 5.449 1.00 0.00 C ATOM 0 H LEU B 67 -4.813 -3.728 4.999 1.00 0.00 H new ATOM 0 HA LEU B 67 -3.483 -5.944 3.735 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -3.085 -4.355 6.242 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -2.124 -5.774 5.880 1.00 0.00 H new ATOM 0 HG LEU B 67 -1.290 -4.749 3.834 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -1.813 -2.417 3.257 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -3.250 -3.464 3.184 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -3.017 -2.368 4.567 1.00 0.00 H new ATOM 0 HD21 LEU B 67 0.042 -2.936 4.828 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -1.041 -2.922 6.241 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -0.052 -4.360 5.892 1.00 0.00 H new ATOM 2082 N LYS B 68 -5.701 -6.560 5.925 1.00 0.00 N ATOM 2083 CA LYS B 68 -6.412 -7.611 6.635 1.00 0.00 C ATOM 2084 C LYS B 68 -7.524 -8.162 5.740 1.00 0.00 C ATOM 2085 O LYS B 68 -7.927 -9.315 5.885 1.00 0.00 O ATOM 2086 CB LYS B 68 -6.907 -7.102 7.990 1.00 0.00 C ATOM 2087 CG LYS B 68 -7.990 -8.022 8.558 1.00 0.00 C ATOM 2088 CD LYS B 68 -7.799 -8.228 10.062 1.00 0.00 C ATOM 2089 CE LYS B 68 -6.806 -9.358 10.339 1.00 0.00 C ATOM 2090 NZ LYS B 68 -6.649 -9.565 11.796 1.00 0.00 N ATOM 0 H LYS B 68 -6.195 -5.669 5.877 1.00 0.00 H new ATOM 0 HA LYS B 68 -5.742 -8.441 6.859 1.00 0.00 H new ATOM 0 HB2 LYS B 68 -6.072 -7.043 8.688 1.00 0.00 H new ATOM 0 HB3 LYS B 68 -7.303 -6.092 7.881 1.00 0.00 H new ATOM 0 HG2 LYS B 68 -8.974 -7.593 8.368 1.00 0.00 H new ATOM 0 HG3 LYS B 68 -7.959 -8.985 8.048 1.00 0.00 H new ATOM 0 HD2 LYS B 68 -7.440 -7.304 10.516 1.00 0.00 H new ATOM 0 HD3 LYS B 68 -8.758 -8.460 10.526 1.00 0.00 H new ATOM 0 HE2 LYS B 68 -7.154 -10.279 9.870 1.00 0.00 H new ATOM 0 HE3 LYS B 68 -5.840 -9.119 9.894 1.00 0.00 H new ATOM 0 HZ1 LYS B 68 -5.972 -10.336 11.966 1.00 0.00 H new ATOM 0 HZ2 LYS B 68 -6.296 -8.691 12.235 1.00 0.00 H new ATOM 0 HZ3 LYS B 68 -7.569 -9.815 12.212 1.00 0.00 H new ATOM 2104 N ASN B 69 -7.989 -7.312 4.837 1.00 0.00 N ATOM 2105 CA ASN B 69 -9.047 -7.700 3.919 1.00 0.00 C ATOM 2106 C ASN B 69 -10.310 -8.033 4.715 1.00 0.00 C ATOM 2107 O ASN B 69 -11.240 -7.230 4.775 1.00 0.00 O ATOM 2108 CB ASN B 69 -8.653 -8.942 3.117 1.00 0.00 C ATOM 2109 CG ASN B 69 -9.835 -9.464 2.299 1.00 0.00 C ATOM 2110 OD1 ASN B 69 -10.816 -9.962 2.825 1.00 0.00 O ATOM 2111 ND2 ASN B 69 -9.688 -9.322 0.984 1.00 0.00 N ATOM 0 H ASN B 69 -7.653 -6.356 4.721 1.00 0.00 H new ATOM 0 HA ASN B 69 -9.221 -6.869 3.235 1.00 0.00 H new ATOM 0 HB2 ASN B 69 -7.824 -8.702 2.452 1.00 0.00 H new ATOM 0 HB3 ASN B 69 -8.303 -9.721 3.794 1.00 0.00 H new ATOM 0 HD21 ASN B 69 -10.423 -9.639 0.352 1.00 0.00 H new ATOM 0 HD22 ASN B 69 -8.841 -8.896 0.609 1.00 0.00 H new ATOM 2118 N GLY B 70 -10.302 -9.218 5.308 1.00 0.00 N ATOM 2119 CA GLY B 70 -11.436 -9.667 6.098 1.00 0.00 C ATOM 2120 C GLY B 70 -10.981 -10.194 7.460 1.00 0.00 C ATOM 2121 O GLY B 70 -9.983 -10.908 7.551 1.00 0.00 O ATOM 0 H GLY B 70 -9.528 -9.881 5.257 1.00 0.00 H new ATOM 0 HA2 GLY B 70 -12.135 -8.843 6.238 1.00 0.00 H new ATOM 0 HA3 GLY B 70 -11.970 -10.451 5.561 1.00 0.00 H new ATOM 2125 N LYS B 71 -11.733 -9.821 8.485 1.00 0.00 N ATOM 2126 CA LYS B 71 -11.419 -10.248 9.838 1.00 0.00 C ATOM 2127 C LYS B 71 -11.669 -11.752 9.965 1.00 0.00 C ATOM 2128 O LYS B 71 -11.956 -12.423 8.975 1.00 0.00 O ATOM 2129 CB LYS B 71 -12.192 -9.408 10.857 1.00 0.00 C ATOM 2130 CG LYS B 71 -11.449 -8.108 11.173 1.00 0.00 C ATOM 2131 CD LYS B 71 -12.379 -7.093 11.839 1.00 0.00 C ATOM 2132 CE LYS B 71 -11.609 -6.200 12.814 1.00 0.00 C ATOM 2133 NZ LYS B 71 -12.221 -6.254 14.160 1.00 0.00 N ATOM 0 H LYS B 71 -12.559 -9.228 8.406 1.00 0.00 H new ATOM 0 HA LYS B 71 -10.364 -10.081 10.055 1.00 0.00 H new ATOM 0 HB2 LYS B 71 -13.184 -9.179 10.467 1.00 0.00 H new ATOM 0 HB3 LYS B 71 -12.335 -9.981 11.773 1.00 0.00 H new ATOM 0 HG2 LYS B 71 -10.604 -8.318 11.829 1.00 0.00 H new ATOM 0 HG3 LYS B 71 -11.042 -7.685 10.255 1.00 0.00 H new ATOM 0 HD2 LYS B 71 -12.857 -6.478 11.077 1.00 0.00 H new ATOM 0 HD3 LYS B 71 -13.174 -7.617 12.370 1.00 0.00 H new ATOM 0 HE2 LYS B 71 -10.569 -6.522 12.868 1.00 0.00 H new ATOM 0 HE3 LYS B 71 -11.606 -5.172 12.450 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 -11.686 -5.642 14.809 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 -13.206 -5.925 14.107 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 -12.201 -7.233 14.511 1.00 0.00 H new ATOM 2147 N SER B 72 -11.550 -12.238 11.192 1.00 0.00 N ATOM 2148 CA SER B 72 -11.759 -13.650 11.461 1.00 0.00 C ATOM 2149 C SER B 72 -10.500 -14.443 11.104 1.00 0.00 C ATOM 2150 O SER B 72 -9.984 -15.199 11.925 1.00 0.00 O ATOM 2151 CB SER B 72 -12.963 -14.187 10.684 1.00 0.00 C ATOM 2152 OG SER B 72 -13.842 -14.940 11.515 1.00 0.00 O ATOM 0 H SER B 72 -11.311 -11.679 12.011 1.00 0.00 H new ATOM 0 HA SER B 72 -11.966 -13.768 12.525 1.00 0.00 H new ATOM 0 HB2 SER B 72 -13.509 -13.354 10.240 1.00 0.00 H new ATOM 0 HB3 SER B 72 -12.614 -14.814 9.863 1.00 0.00 H new ATOM 0 HG SER B 72 -14.598 -15.264 10.983 1.00 0.00 H new ATOM 2158 N ASN B 73 -10.042 -14.243 9.877 1.00 0.00 N ATOM 2159 CA ASN B 73 -8.853 -14.929 9.400 1.00 0.00 C ATOM 2160 C ASN B 73 -8.453 -14.362 8.037 1.00 0.00 C ATOM 2161 O ASN B 73 -9.280 -13.780 7.336 1.00 0.00 O ATOM 2162 CB ASN B 73 -9.113 -16.428 9.231 1.00 0.00 C ATOM 2163 CG ASN B 73 -10.567 -16.690 8.833 1.00 0.00 C ATOM 2164 OD1 ASN B 73 -11.119 -16.060 7.946 1.00 0.00 O ATOM 2165 ND2 ASN B 73 -11.155 -17.654 9.537 1.00 0.00 N ATOM 0 H ASN B 73 -10.473 -13.615 9.198 1.00 0.00 H new ATOM 0 HA ASN B 73 -8.061 -14.780 10.134 1.00 0.00 H new ATOM 0 HB2 ASN B 73 -8.445 -16.833 8.471 1.00 0.00 H new ATOM 0 HB3 ASN B 73 -8.888 -16.947 10.163 1.00 0.00 H new ATOM 0 HD21 ASN B 73 -12.125 -17.905 9.347 1.00 0.00 H new ATOM 0 HD22 ASN B 73 -10.635 -18.142 10.266 1.00 0.00 H new TER 2172 ASN B 73