USER MOD reduce.3.24.130724 H: found=0, std=0, add=1046, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 1046 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 29 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Set 1.2: B 47 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.458 K(o=-0.46,f=-4.4!) USER MOD Single : A 18 THR OG1 : rot -120:sc= -2.65! USER MOD Single : A 19 THR OG1 : rot 93:sc= 0.294 USER MOD Single : A 20 GLN : amide:sc= -1.11 K(o=-1.1,f=-2.8!) USER MOD Single : A 23 HIS : no HD1:sc= -3.66! C(o=-3.7!,f=-14!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 31 GLN : amide:sc= -0.0367 X(o=-0.037,f=0) USER MOD Single : A 38 GLN : amide:sc= -2.36! K(o=-2.4!,f=-0.84) USER MOD Single : A 40 SER OG : rot -57:sc= 0.177 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 163:sc= -0.0581 (180deg=-0.333) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 169:sc= -0.0108 (180deg=-0.152) USER MOD Single : A 68 GLN : amide:sc= -0.0156 X(o=-0.016,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 GLN : amide:sc= -0.421 K(o=-0.42,f=-4.3!) USER MOD Single : B 18 THR OG1 : rot -130:sc= -2.49! USER MOD Single : B 19 THR OG1 : rot 91:sc= 0.294 USER MOD Single : B 20 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.8!) USER MOD Single : B 23 HIS : no HD1:sc= -3.57! C(o=-3.6!,f=-14!) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 MET CE :methyl 152:sc= -0.0763 (180deg=-0.682) USER MOD Single : B 28 SER OG : rot -140:sc= 0 USER MOD Single : B 31 GLN : amide:sc= -0.232 K(o=-0.23,f=-1.3) USER MOD Single : B 38 GLN : amide:sc= -0.173 X(o=-0.17,f=0) USER MOD Single : B 40 SER OG : rot -53:sc= 0.0955 USER MOD Single : B 41 LYS NZ :NH3+ 174:sc= 0.097 (180deg=0.0909) USER MOD Single : B 49 LYS NZ :NH3+ 161:sc= -0.0548 (180deg=-0.388) USER MOD Single : B 50 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 LYS NZ :NH3+ 169:sc= -0.0146 (180deg=-0.129) USER MOD Single : B 68 GLN : amide:sc= -0.0103 X(o=-0.01,f=0) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 8 -7.135 -18.406 15.534 1.00 0.81 N ATOM 2 CA LEU A 8 -7.690 -18.902 14.254 1.00 0.78 C ATOM 3 C LEU A 8 -9.146 -19.376 14.455 1.00 0.78 C ATOM 4 O LEU A 8 -9.432 -20.529 14.772 1.00 0.80 O ATOM 5 CB LEU A 8 -6.782 -20.016 13.704 1.00 0.80 C ATOM 6 CG LEU A 8 -7.129 -20.530 12.293 1.00 0.78 C ATOM 7 CD1 LEU A 8 -5.883 -21.154 11.672 1.00 0.80 C ATOM 8 CD2 LEU A 8 -8.206 -21.621 12.288 1.00 0.78 C ATOM 0 HA LEU A 8 -7.716 -18.098 13.518 1.00 0.78 H new ATOM 0 HB2 LEU A 8 -5.755 -19.650 13.694 1.00 0.80 H new ATOM 0 HB3 LEU A 8 -6.814 -20.859 14.395 1.00 0.80 H new ATOM 0 HG LEU A 8 -7.501 -19.668 11.740 1.00 0.78 H new ATOM 0 HD11 LEU A 8 -6.119 -21.521 10.673 1.00 0.80 H new ATOM 0 HD12 LEU A 8 -5.095 -20.404 11.606 1.00 0.80 H new ATOM 0 HD13 LEU A 8 -5.544 -21.984 12.292 1.00 0.80 H new ATOM 0 HD21 LEU A 8 -8.400 -21.936 11.263 1.00 0.78 H new ATOM 0 HD22 LEU A 8 -7.861 -22.475 12.871 1.00 0.78 H new ATOM 0 HD23 LEU A 8 -9.123 -21.229 12.727 1.00 0.78 H new ATOM 20 N ARG A 9 -10.020 -18.385 14.494 1.00 0.76 N ATOM 21 CA ARG A 9 -11.462 -18.634 14.682 1.00 0.76 C ATOM 22 C ARG A 9 -12.300 -17.869 13.659 1.00 0.72 C ATOM 23 O ARG A 9 -12.938 -18.464 12.797 1.00 0.71 O ATOM 24 CB ARG A 9 -11.901 -18.380 16.137 1.00 0.79 C ATOM 25 CG ARG A 9 -11.615 -16.964 16.643 1.00 0.78 C ATOM 26 CD ARG A 9 -12.256 -16.707 18.003 1.00 0.82 C ATOM 27 NE ARG A 9 -12.026 -15.304 18.396 1.00 0.81 N ATOM 28 CZ ARG A 9 -10.887 -14.775 18.847 1.00 0.83 C ATOM 29 NH1 ARG A 9 -9.784 -15.506 18.989 1.00 0.84 N ATOM 30 NH2 ARG A 9 -10.848 -13.501 19.212 1.00 0.83 N ATOM 0 H ARG A 9 -9.770 -17.401 14.400 1.00 0.76 H new ATOM 0 HA ARG A 9 -11.645 -19.692 14.495 1.00 0.76 H new ATOM 0 HB2 ARG A 9 -12.970 -18.574 16.221 1.00 0.79 H new ATOM 0 HB3 ARG A 9 -11.396 -19.094 16.787 1.00 0.79 H new ATOM 0 HG2 ARG A 9 -10.538 -16.815 16.715 1.00 0.78 H new ATOM 0 HG3 ARG A 9 -11.990 -16.238 15.922 1.00 0.78 H new ATOM 0 HD2 ARG A 9 -13.325 -16.913 17.958 1.00 0.82 H new ATOM 0 HD3 ARG A 9 -11.833 -17.379 18.750 1.00 0.82 H new ATOM 0 HE ARG A 9 -12.822 -14.671 18.314 1.00 0.81 H new ATOM 0 HH11 ARG A 9 -9.795 -16.498 18.751 1.00 0.84 H new ATOM 0 HH12 ARG A 9 -8.927 -15.075 19.336 1.00 0.84 H new ATOM 0 HH21 ARG A 9 -11.688 -12.926 19.148 1.00 0.83 H new ATOM 0 HH22 ARG A 9 -9.978 -13.096 19.557 1.00 0.83 H new ATOM 44 N GLU A 10 -12.244 -16.535 13.749 1.00 0.70 N ATOM 45 CA GLU A 10 -13.074 -15.625 12.952 1.00 0.67 C ATOM 46 C GLU A 10 -12.363 -14.284 12.762 1.00 0.65 C ATOM 47 O GLU A 10 -12.003 -13.613 13.730 1.00 0.67 O ATOM 48 CB GLU A 10 -14.408 -15.372 13.662 1.00 0.69 C ATOM 49 CG GLU A 10 -15.271 -16.634 13.768 1.00 0.71 C ATOM 50 CD GLU A 10 -16.634 -16.390 14.417 1.00 0.73 C ATOM 51 OE1 GLU A 10 -17.134 -15.247 14.308 1.00 0.72 O ATOM 52 OE2 GLU A 10 -17.158 -17.364 14.996 1.00 0.76 O ATOM 0 H GLU A 10 -11.612 -16.051 14.387 1.00 0.70 H new ATOM 0 HA GLU A 10 -13.250 -16.089 11.981 1.00 0.67 H new ATOM 0 HB2 GLU A 10 -14.215 -14.984 14.662 1.00 0.69 H new ATOM 0 HB3 GLU A 10 -14.961 -14.603 13.123 1.00 0.69 H new ATOM 0 HG2 GLU A 10 -15.421 -17.046 12.770 1.00 0.71 H new ATOM 0 HG3 GLU A 10 -14.732 -17.385 14.345 1.00 0.71 H new ATOM 59 N LEU A 11 -12.046 -14.023 11.507 1.00 0.62 N ATOM 60 CA LEU A 11 -11.376 -12.776 11.098 1.00 0.60 C ATOM 61 C LEU A 11 -12.175 -12.086 9.990 1.00 0.57 C ATOM 62 O LEU A 11 -12.696 -12.736 9.082 1.00 0.56 O ATOM 63 CB LEU A 11 -9.963 -13.094 10.610 1.00 0.60 C ATOM 64 CG LEU A 11 -9.103 -13.675 11.731 1.00 0.63 C ATOM 65 CD1 LEU A 11 -8.514 -15.015 11.295 1.00 0.65 C ATOM 66 CD2 LEU A 11 -8.005 -12.687 12.125 1.00 0.64 C ATOM 0 H LEU A 11 -12.240 -14.660 10.735 1.00 0.62 H new ATOM 0 HA LEU A 11 -11.318 -12.102 11.953 1.00 0.60 H new ATOM 0 HB2 LEU A 11 -10.013 -13.803 9.783 1.00 0.60 H new ATOM 0 HB3 LEU A 11 -9.497 -12.187 10.225 1.00 0.60 H new ATOM 0 HG LEU A 11 -9.726 -13.847 12.608 1.00 0.63 H new ATOM 0 HD11 LEU A 11 -7.902 -15.423 12.100 1.00 0.65 H new ATOM 0 HD12 LEU A 11 -9.322 -15.710 11.066 1.00 0.65 H new ATOM 0 HD13 LEU A 11 -7.897 -14.870 10.408 1.00 0.65 H new ATOM 0 HD21 LEU A 11 -7.400 -13.115 12.925 1.00 0.64 H new ATOM 0 HD22 LEU A 11 -7.372 -12.483 11.261 1.00 0.64 H new ATOM 0 HD23 LEU A 11 -8.458 -11.758 12.470 1.00 0.64 H new ATOM 78 N ARG A 12 -12.231 -10.773 10.107 1.00 0.56 N ATOM 79 CA ARG A 12 -13.020 -9.925 9.192 1.00 0.54 C ATOM 80 C ARG A 12 -12.058 -9.202 8.259 1.00 0.51 C ATOM 81 O ARG A 12 -10.947 -8.842 8.656 1.00 0.51 O ATOM 82 CB ARG A 12 -13.820 -8.890 10.003 1.00 0.55 C ATOM 83 CG ARG A 12 -14.525 -9.446 11.249 1.00 0.59 C ATOM 84 CD ARG A 12 -15.356 -10.685 10.910 1.00 0.59 C ATOM 85 NE ARG A 12 -16.140 -11.138 12.059 1.00 0.63 N ATOM 86 CZ ARG A 12 -17.457 -10.983 12.092 1.00 0.65 C ATOM 87 NH1 ARG A 12 -17.988 -9.824 12.451 1.00 0.66 N ATOM 88 NH2 ARG A 12 -18.238 -12.023 11.862 1.00 0.66 N ATOM 0 H ARG A 12 -11.738 -10.252 10.832 1.00 0.56 H new ATOM 0 HA ARG A 12 -13.714 -10.540 8.619 1.00 0.54 H new ATOM 0 HB2 ARG A 12 -13.145 -8.092 10.312 1.00 0.55 H new ATOM 0 HB3 ARG A 12 -14.569 -8.440 9.351 1.00 0.55 H new ATOM 0 HG2 ARG A 12 -13.783 -9.699 12.007 1.00 0.59 H new ATOM 0 HG3 ARG A 12 -15.170 -8.679 11.678 1.00 0.59 H new ATOM 0 HD2 ARG A 12 -16.024 -10.459 10.079 1.00 0.59 H new ATOM 0 HD3 ARG A 12 -14.696 -11.487 10.580 1.00 0.59 H new ATOM 0 HE ARG A 12 -15.667 -11.580 12.847 1.00 0.63 H new ATOM 0 HH11 ARG A 12 -17.383 -9.043 12.705 1.00 0.66 H new ATOM 0 HH12 ARG A 12 -19.002 -9.713 12.474 1.00 0.66 H new ATOM 0 HH21 ARG A 12 -17.827 -12.935 11.661 1.00 0.66 H new ATOM 0 HH22 ARG A 12 -19.252 -11.914 11.885 1.00 0.66 H new ATOM 102 N CYS A 13 -12.500 -8.979 7.023 1.00 0.49 N ATOM 103 CA CYS A 13 -11.738 -8.157 6.065 1.00 0.47 C ATOM 104 C CYS A 13 -11.448 -6.777 6.676 1.00 0.47 C ATOM 105 O CYS A 13 -12.206 -6.285 7.510 1.00 0.48 O ATOM 106 CB CYS A 13 -12.554 -7.990 4.782 1.00 0.47 C ATOM 107 SG CYS A 13 -12.575 -9.467 3.699 1.00 0.48 S ATOM 0 H CYS A 13 -13.376 -9.350 6.656 1.00 0.49 H new ATOM 0 HA CYS A 13 -10.793 -8.650 5.836 1.00 0.47 H new ATOM 0 HB2 CYS A 13 -13.580 -7.736 5.049 1.00 0.47 H new ATOM 0 HB3 CYS A 13 -12.153 -7.147 4.219 1.00 0.47 H new ATOM 112 N VAL A 14 -10.337 -6.176 6.252 1.00 0.45 N ATOM 113 CA VAL A 14 -9.960 -4.818 6.721 1.00 0.45 C ATOM 114 C VAL A 14 -11.043 -3.774 6.361 1.00 0.44 C ATOM 115 O VAL A 14 -11.242 -2.786 7.061 1.00 0.45 O ATOM 116 CB VAL A 14 -8.541 -4.427 6.243 1.00 0.44 C ATOM 117 CG1 VAL A 14 -8.377 -4.271 4.729 1.00 0.43 C ATOM 118 CG2 VAL A 14 -8.043 -3.149 6.924 1.00 0.45 C ATOM 0 H VAL A 14 -9.680 -6.592 5.592 1.00 0.45 H new ATOM 0 HA VAL A 14 -9.913 -4.835 7.810 1.00 0.45 H new ATOM 0 HB VAL A 14 -7.934 -5.283 6.538 1.00 0.44 H new ATOM 0 HG11 VAL A 14 -7.347 -3.996 4.501 1.00 0.43 H new ATOM 0 HG12 VAL A 14 -8.618 -5.214 4.238 1.00 0.43 H new ATOM 0 HG13 VAL A 14 -9.049 -3.492 4.369 1.00 0.43 H new ATOM 0 HG21 VAL A 14 -7.044 -2.909 6.561 1.00 0.45 H new ATOM 0 HG22 VAL A 14 -8.720 -2.326 6.694 1.00 0.45 H new ATOM 0 HG23 VAL A 14 -8.010 -3.301 8.003 1.00 0.45 H new ATOM 128 N CYS A 15 -11.711 -4.034 5.240 1.00 0.44 N ATOM 129 CA CYS A 15 -12.798 -3.203 4.702 1.00 0.44 C ATOM 130 C CYS A 15 -14.103 -3.988 4.616 1.00 0.46 C ATOM 131 O CYS A 15 -14.247 -4.886 3.785 1.00 0.46 O ATOM 132 CB CYS A 15 -12.441 -2.735 3.296 1.00 0.43 C ATOM 133 SG CYS A 15 -11.169 -1.440 3.288 1.00 0.42 S ATOM 0 H CYS A 15 -11.510 -4.849 4.661 1.00 0.44 H new ATOM 0 HA CYS A 15 -12.927 -2.355 5.374 1.00 0.44 H new ATOM 0 HB2 CYS A 15 -12.090 -3.586 2.713 1.00 0.43 H new ATOM 0 HB3 CYS A 15 -13.338 -2.360 2.804 1.00 0.43 H new ATOM 138 N LEU A 16 -14.988 -3.691 5.555 1.00 0.48 N ATOM 139 CA LEU A 16 -16.343 -4.281 5.553 1.00 0.51 C ATOM 140 C LEU A 16 -17.331 -3.556 4.626 1.00 0.53 C ATOM 141 O LEU A 16 -18.201 -4.180 4.013 1.00 0.55 O ATOM 142 CB LEU A 16 -16.896 -4.361 6.981 1.00 0.54 C ATOM 143 CG LEU A 16 -16.101 -5.333 7.867 1.00 0.53 C ATOM 144 CD1 LEU A 16 -16.664 -5.304 9.290 1.00 0.57 C ATOM 145 CD2 LEU A 16 -16.132 -6.769 7.325 1.00 0.53 C ATOM 0 H LEU A 16 -14.807 -3.051 6.328 1.00 0.48 H new ATOM 0 HA LEU A 16 -16.236 -5.287 5.148 1.00 0.51 H new ATOM 0 HB2 LEU A 16 -16.878 -3.368 7.430 1.00 0.54 H new ATOM 0 HB3 LEU A 16 -17.939 -4.676 6.946 1.00 0.54 H new ATOM 0 HG LEU A 16 -15.061 -5.007 7.867 1.00 0.53 H new ATOM 0 HD11 LEU A 16 -16.100 -5.993 9.918 1.00 0.57 H new ATOM 0 HD12 LEU A 16 -16.581 -4.295 9.693 1.00 0.57 H new ATOM 0 HD13 LEU A 16 -17.712 -5.603 9.273 1.00 0.57 H new ATOM 0 HD21 LEU A 16 -15.557 -7.419 7.984 1.00 0.53 H new ATOM 0 HD22 LEU A 16 -17.163 -7.119 7.280 1.00 0.53 H new ATOM 0 HD23 LEU A 16 -15.698 -6.790 6.325 1.00 0.53 H new ATOM 157 N GLN A 17 -17.157 -2.256 4.511 1.00 0.53 N ATOM 158 CA GLN A 17 -17.994 -1.366 3.696 1.00 0.55 C ATOM 159 C GLN A 17 -17.187 -0.830 2.500 1.00 0.53 C ATOM 160 O GLN A 17 -16.005 -1.124 2.332 1.00 0.50 O ATOM 161 CB GLN A 17 -18.559 -0.221 4.560 1.00 0.57 C ATOM 162 CG GLN A 17 -17.539 0.824 5.044 1.00 0.56 C ATOM 163 CD GLN A 17 -16.548 0.331 6.108 1.00 0.54 C ATOM 164 OE1 GLN A 17 -16.586 -0.753 6.664 1.00 0.54 O ATOM 165 NE2 GLN A 17 -15.607 1.177 6.443 1.00 0.53 N ATOM 0 H GLN A 17 -16.407 -1.762 4.994 1.00 0.53 H new ATOM 0 HA GLN A 17 -18.840 -1.930 3.303 1.00 0.55 H new ATOM 0 HB2 GLN A 17 -19.332 0.292 3.988 1.00 0.57 H new ATOM 0 HB3 GLN A 17 -19.045 -0.657 5.433 1.00 0.57 H new ATOM 0 HG2 GLN A 17 -16.974 1.182 4.183 1.00 0.56 H new ATOM 0 HG3 GLN A 17 -18.083 1.679 5.446 1.00 0.56 H new ATOM 0 HE21 GLN A 17 -15.557 2.090 5.990 1.00 0.53 H new ATOM 0 HE22 GLN A 17 -14.924 0.924 7.157 1.00 0.53 H new ATOM 174 N THR A 18 -17.865 0.001 1.731 1.00 0.56 N ATOM 175 CA THR A 18 -17.287 0.660 0.548 1.00 0.55 C ATOM 176 C THR A 18 -17.519 2.181 0.581 1.00 0.57 C ATOM 177 O THR A 18 -18.065 2.727 1.543 1.00 0.58 O ATOM 178 CB THR A 18 -17.872 -0.019 -0.703 1.00 0.57 C ATOM 179 OG1 THR A 18 -17.210 0.502 -1.853 1.00 0.57 O ATOM 180 CG2 THR A 18 -19.392 0.142 -0.847 1.00 0.62 C ATOM 0 H THR A 18 -18.840 0.247 1.901 1.00 0.56 H new ATOM 0 HA THR A 18 -16.203 0.543 0.534 1.00 0.55 H new ATOM 0 HB THR A 18 -17.701 -1.091 -0.600 1.00 0.57 H new ATOM 0 HG1 THR A 18 -17.867 0.926 -2.444 1.00 0.57 H new ATOM 0 HG21 THR A 18 -19.727 -0.364 -1.752 1.00 0.62 H new ATOM 0 HG22 THR A 18 -19.888 -0.297 0.019 1.00 0.62 H new ATOM 0 HG23 THR A 18 -19.641 1.201 -0.910 1.00 0.62 H new ATOM 188 N THR A 19 -17.188 2.839 -0.523 1.00 0.57 N ATOM 189 CA THR A 19 -17.318 4.290 -0.731 1.00 0.59 C ATOM 190 C THR A 19 -17.372 4.608 -2.236 1.00 0.61 C ATOM 191 O THR A 19 -16.835 3.880 -3.079 1.00 0.60 O ATOM 192 CB THR A 19 -16.139 5.023 -0.054 1.00 0.56 C ATOM 193 OG1 THR A 19 -16.118 4.717 1.344 1.00 0.55 O ATOM 194 CG2 THR A 19 -16.196 6.548 -0.190 1.00 0.58 C ATOM 0 H THR A 19 -16.804 2.362 -1.339 1.00 0.57 H new ATOM 0 HA THR A 19 -18.247 4.637 -0.278 1.00 0.59 H new ATOM 0 HB THR A 19 -15.243 4.673 -0.567 1.00 0.56 H new ATOM 0 HG1 THR A 19 -15.533 3.946 1.501 1.00 0.55 H new ATOM 0 HG21 THR A 19 -15.335 6.990 0.311 1.00 0.58 H new ATOM 0 HG22 THR A 19 -16.181 6.820 -1.245 1.00 0.58 H new ATOM 0 HG23 THR A 19 -17.113 6.920 0.268 1.00 0.58 H new ATOM 202 N GLN A 20 -18.040 5.717 -2.522 1.00 0.65 N ATOM 203 CA GLN A 20 -18.201 6.291 -3.861 1.00 0.68 C ATOM 204 C GLN A 20 -17.808 7.771 -3.904 1.00 0.68 C ATOM 205 O GLN A 20 -18.622 8.691 -3.965 1.00 0.72 O ATOM 206 CB GLN A 20 -19.621 6.042 -4.408 1.00 0.72 C ATOM 207 CG GLN A 20 -20.790 6.711 -3.676 1.00 0.75 C ATOM 208 CD GLN A 20 -21.027 6.237 -2.239 1.00 0.74 C ATOM 209 OE1 GLN A 20 -20.562 5.227 -1.736 1.00 0.71 O ATOM 210 NE2 GLN A 20 -21.848 6.975 -1.538 1.00 0.76 N ATOM 0 H GLN A 20 -18.506 6.268 -1.801 1.00 0.65 H new ATOM 0 HA GLN A 20 -17.508 5.775 -4.525 1.00 0.68 H new ATOM 0 HB2 GLN A 20 -19.643 6.370 -5.447 1.00 0.72 H new ATOM 0 HB3 GLN A 20 -19.797 4.966 -4.410 1.00 0.72 H new ATOM 0 HG2 GLN A 20 -20.618 7.787 -3.661 1.00 0.75 H new ATOM 0 HG3 GLN A 20 -21.700 6.541 -4.251 1.00 0.75 H new ATOM 0 HE21 GLN A 20 -22.245 7.822 -1.944 1.00 0.76 H new ATOM 0 HE22 GLN A 20 -22.091 6.703 -0.585 1.00 0.76 H new ATOM 219 N GLY A 21 -16.492 7.968 -3.815 1.00 0.65 N ATOM 220 CA GLY A 21 -15.949 9.316 -3.964 1.00 0.65 C ATOM 221 C GLY A 21 -15.757 9.670 -5.455 1.00 0.68 C ATOM 222 O GLY A 21 -15.942 8.802 -6.299 1.00 0.69 O ATOM 0 H GLY A 21 -15.802 7.236 -3.646 1.00 0.65 H new ATOM 0 HA2 GLY A 21 -16.621 10.037 -3.498 1.00 0.65 H new ATOM 0 HA3 GLY A 21 -14.994 9.388 -3.443 1.00 0.65 H new ATOM 226 N VAL A 22 -15.226 10.823 -5.843 1.00 0.69 N ATOM 227 CA VAL A 22 -14.555 11.979 -5.178 1.00 0.68 C ATOM 228 C VAL A 22 -13.358 12.365 -6.076 1.00 0.67 C ATOM 229 O VAL A 22 -13.172 11.795 -7.146 1.00 0.68 O ATOM 230 CB VAL A 22 -14.109 11.767 -3.702 1.00 0.64 C ATOM 231 CG1 VAL A 22 -12.916 10.813 -3.514 1.00 0.60 C ATOM 232 CG2 VAL A 22 -13.948 13.078 -2.923 1.00 0.65 C ATOM 0 H VAL A 22 -15.257 11.022 -6.843 1.00 0.69 H new ATOM 0 HA VAL A 22 -15.293 12.776 -5.084 1.00 0.68 H new ATOM 0 HB VAL A 22 -14.950 11.241 -3.251 1.00 0.64 H new ATOM 0 HG11 VAL A 22 -12.680 10.730 -2.453 1.00 0.60 H new ATOM 0 HG12 VAL A 22 -13.172 9.829 -3.907 1.00 0.60 H new ATOM 0 HG13 VAL A 22 -12.050 11.204 -4.049 1.00 0.60 H new ATOM 0 HG21 VAL A 22 -13.636 12.859 -1.902 1.00 0.65 H new ATOM 0 HG22 VAL A 22 -13.194 13.699 -3.407 1.00 0.65 H new ATOM 0 HG23 VAL A 22 -14.899 13.610 -2.905 1.00 0.65 H new ATOM 242 N HIS A 23 -12.514 13.278 -5.611 1.00 0.66 N ATOM 243 CA HIS A 23 -11.289 13.643 -6.323 1.00 0.66 C ATOM 244 C HIS A 23 -10.054 13.299 -5.463 1.00 0.62 C ATOM 245 O HIS A 23 -10.084 13.509 -4.245 1.00 0.60 O ATOM 246 CB HIS A 23 -11.347 15.135 -6.677 1.00 0.69 C ATOM 247 CG HIS A 23 -10.244 15.527 -7.665 1.00 0.70 C ATOM 248 ND1 HIS A 23 -8.971 15.734 -7.346 1.00 0.68 N ATOM 249 CD2 HIS A 23 -10.376 15.756 -8.967 1.00 0.73 C ATOM 250 CE1 HIS A 23 -8.316 16.107 -8.441 1.00 0.70 C ATOM 251 NE2 HIS A 23 -9.187 16.120 -9.445 1.00 0.73 N ATOM 0 H HIS A 23 -12.655 13.785 -4.737 1.00 0.66 H new ATOM 0 HA HIS A 23 -11.204 13.074 -7.249 1.00 0.66 H new ATOM 0 HB2 HIS A 23 -12.321 15.369 -7.107 1.00 0.69 H new ATOM 0 HB3 HIS A 23 -11.249 15.729 -5.768 1.00 0.69 H new ATOM 0 HD2 HIS A 23 -11.288 15.663 -9.538 1.00 0.73 H new ATOM 0 HE1 HIS A 23 -7.267 16.355 -8.504 1.00 0.70 H new ATOM 0 HE2 HIS A 23 -8.981 16.366 -10.413 1.00 0.73 H new ATOM 259 N PRO A 24 -8.971 12.847 -6.118 1.00 0.61 N ATOM 260 CA PRO A 24 -7.657 12.582 -5.493 1.00 0.58 C ATOM 261 C PRO A 24 -7.145 13.759 -4.668 1.00 0.58 C ATOM 262 O PRO A 24 -6.315 13.561 -3.794 1.00 0.56 O ATOM 263 CB PRO A 24 -6.684 12.433 -6.655 1.00 0.60 C ATOM 264 CG PRO A 24 -7.547 11.880 -7.777 1.00 0.62 C ATOM 265 CD PRO A 24 -8.906 12.532 -7.561 1.00 0.64 C ATOM 0 HA PRO A 24 -7.744 11.715 -4.838 1.00 0.58 H new ATOM 0 HB2 PRO A 24 -6.236 13.389 -6.928 1.00 0.60 H new ATOM 0 HB3 PRO A 24 -5.866 11.756 -6.408 1.00 0.60 H new ATOM 0 HG2 PRO A 24 -7.136 12.130 -8.755 1.00 0.62 H new ATOM 0 HG3 PRO A 24 -7.615 10.793 -7.728 1.00 0.62 H new ATOM 0 HD2 PRO A 24 -9.008 13.434 -8.164 1.00 0.64 H new ATOM 0 HD3 PRO A 24 -9.714 11.861 -7.852 1.00 0.64 H new ATOM 273 N LYS A 25 -7.644 14.962 -4.953 1.00 0.61 N ATOM 274 CA LYS A 25 -7.275 16.204 -4.259 1.00 0.61 C ATOM 275 C LYS A 25 -7.394 16.086 -2.728 1.00 0.59 C ATOM 276 O LYS A 25 -6.635 16.704 -1.995 1.00 0.59 O ATOM 277 CB LYS A 25 -8.181 17.328 -4.758 1.00 0.65 C ATOM 278 CG LYS A 25 -7.386 18.628 -4.880 1.00 0.67 C ATOM 279 CD LYS A 25 -8.233 19.793 -5.401 1.00 0.70 C ATOM 280 CE LYS A 25 -9.260 20.262 -4.368 1.00 0.71 C ATOM 281 NZ LYS A 25 -9.178 21.719 -4.215 1.00 0.74 N ATOM 0 H LYS A 25 -8.333 15.107 -5.691 1.00 0.61 H new ATOM 0 HA LYS A 25 -6.229 16.415 -4.481 1.00 0.61 H new ATOM 0 HB2 LYS A 25 -8.606 17.061 -5.725 1.00 0.65 H new ATOM 0 HB3 LYS A 25 -9.015 17.466 -4.070 1.00 0.65 H new ATOM 0 HG2 LYS A 25 -6.975 18.891 -3.905 1.00 0.67 H new ATOM 0 HG3 LYS A 25 -6.541 18.471 -5.550 1.00 0.67 H new ATOM 0 HD2 LYS A 25 -7.581 20.625 -5.667 1.00 0.70 H new ATOM 0 HD3 LYS A 25 -8.748 19.488 -6.312 1.00 0.70 H new ATOM 0 HE2 LYS A 25 -10.264 19.976 -4.683 1.00 0.71 H new ATOM 0 HE3 LYS A 25 -9.075 19.775 -3.410 1.00 0.71 H new ATOM 0 HZ1 LYS A 25 -9.877 22.034 -3.512 1.00 0.74 H new ATOM 0 HZ2 LYS A 25 -8.224 21.981 -3.896 1.00 0.74 H new ATOM 0 HZ3 LYS A 25 -9.375 22.176 -5.128 1.00 0.74 H new ATOM 295 N MET A 26 -8.312 15.222 -2.289 1.00 0.58 N ATOM 296 CA MET A 26 -8.509 14.909 -0.862 1.00 0.58 C ATOM 297 C MET A 26 -7.617 13.762 -0.356 1.00 0.54 C ATOM 298 O MET A 26 -7.415 13.594 0.850 1.00 0.54 O ATOM 299 CB MET A 26 -9.986 14.609 -0.596 1.00 0.59 C ATOM 300 CG MET A 26 -10.720 15.799 0.040 1.00 0.67 C ATOM 301 SD MET A 26 -10.043 16.332 1.657 1.00 0.79 S ATOM 302 CE MET A 26 -10.456 18.064 1.677 1.00 1.08 C ATOM 0 H MET A 26 -8.943 14.716 -2.910 1.00 0.58 H new ATOM 0 HA MET A 26 -8.204 15.791 -0.299 1.00 0.58 H new ATOM 0 HB2 MET A 26 -10.475 14.343 -1.533 1.00 0.59 H new ATOM 0 HB3 MET A 26 -10.065 13.743 0.061 1.00 0.59 H new ATOM 0 HG2 MET A 26 -10.685 16.642 -0.650 1.00 0.67 H new ATOM 0 HG3 MET A 26 -11.770 15.536 0.169 1.00 0.67 H new ATOM 0 HE1 MET A 26 -10.102 18.512 2.606 1.00 1.08 H new ATOM 0 HE2 MET A 26 -9.982 18.561 0.831 1.00 1.08 H new ATOM 0 HE3 MET A 26 -11.537 18.181 1.607 1.00 1.08 H new ATOM 312 N ILE A 27 -7.104 12.959 -1.281 1.00 0.52 N ATOM 313 CA ILE A 27 -6.265 11.810 -0.934 1.00 0.50 C ATOM 314 C ILE A 27 -4.775 12.153 -0.999 1.00 0.51 C ATOM 315 O ILE A 27 -4.350 12.969 -1.818 1.00 0.58 O ATOM 316 CB ILE A 27 -6.550 10.617 -1.881 1.00 0.53 C ATOM 317 CG1 ILE A 27 -8.060 10.454 -2.110 1.00 0.56 C ATOM 318 CG2 ILE A 27 -5.949 9.331 -1.328 1.00 0.54 C ATOM 319 CD1 ILE A 27 -8.846 10.141 -0.851 1.00 0.57 C ATOM 0 H ILE A 27 -7.253 13.081 -2.283 1.00 0.52 H new ATOM 0 HA ILE A 27 -6.514 11.535 0.091 1.00 0.50 H new ATOM 0 HB ILE A 27 -6.079 10.827 -2.841 1.00 0.53 H new ATOM 0 HG12 ILE A 27 -8.451 11.371 -2.551 1.00 0.56 H new ATOM 0 HG13 ILE A 27 -8.223 9.657 -2.835 1.00 0.56 H new ATOM 0 HG21 ILE A 27 -6.162 8.507 -2.010 1.00 0.54 H new ATOM 0 HG22 ILE A 27 -4.870 9.448 -1.226 1.00 0.54 H new ATOM 0 HG23 ILE A 27 -6.384 9.116 -0.352 1.00 0.54 H new ATOM 0 HD11 ILE A 27 -9.903 10.041 -1.097 1.00 0.57 H new ATOM 0 HD12 ILE A 27 -8.484 9.208 -0.419 1.00 0.57 H new ATOM 0 HD13 ILE A 27 -8.716 10.949 -0.131 1.00 0.57 H new ATOM 331 N SER A 28 -3.984 11.525 -0.124 1.00 0.49 N ATOM 332 CA SER A 28 -2.542 11.756 -0.080 1.00 0.54 C ATOM 333 C SER A 28 -1.788 10.468 0.267 1.00 0.55 C ATOM 334 O SER A 28 -0.573 10.488 0.471 1.00 0.69 O ATOM 335 CB SER A 28 -2.209 12.846 0.944 1.00 0.61 C ATOM 336 OG SER A 28 -2.779 14.091 0.576 1.00 0.69 O ATOM 0 H SER A 28 -4.322 10.852 0.564 1.00 0.49 H new ATOM 0 HA SER A 28 -2.224 12.085 -1.070 1.00 0.54 H new ATOM 0 HB2 SER A 28 -2.579 12.551 1.926 1.00 0.61 H new ATOM 0 HB3 SER A 28 -1.127 12.950 1.029 1.00 0.61 H new ATOM 0 HG SER A 28 -2.551 14.767 1.248 1.00 0.69 H new ATOM 342 N ASN A 29 -2.515 9.353 0.331 1.00 0.51 N ATOM 343 CA ASN A 29 -1.917 8.055 0.657 1.00 0.51 C ATOM 344 C ASN A 29 -2.801 6.909 0.163 1.00 0.50 C ATOM 345 O ASN A 29 -4.016 6.921 0.362 1.00 0.51 O ATOM 346 CB ASN A 29 -1.715 7.940 2.173 1.00 0.54 C ATOM 347 CG ASN A 29 -1.016 6.655 2.582 1.00 0.57 C ATOM 348 OD1 ASN A 29 -0.167 6.136 1.857 1.00 0.64 O ATOM 349 ND2 ASN A 29 -1.370 6.136 3.751 1.00 0.78 N ATOM 0 H ASN A 29 -3.520 9.321 0.161 1.00 0.51 H new ATOM 0 HA ASN A 29 -0.951 7.986 0.156 1.00 0.51 H new ATOM 0 HB2 ASN A 29 -1.131 8.792 2.522 1.00 0.54 H new ATOM 0 HB3 ASN A 29 -2.684 7.994 2.668 1.00 0.54 H new ATOM 0 HD21 ASN A 29 -0.934 5.275 4.080 1.00 0.78 H new ATOM 0 HD22 ASN A 29 -2.078 6.599 4.321 1.00 0.78 H new ATOM 356 N LEU A 30 -2.181 5.923 -0.480 1.00 0.54 N ATOM 357 CA LEU A 30 -2.901 4.765 -1.000 1.00 0.56 C ATOM 358 C LEU A 30 -2.271 3.469 -0.497 1.00 0.57 C ATOM 359 O LEU A 30 -1.053 3.375 -0.376 1.00 0.74 O ATOM 360 CB LEU A 30 -2.896 4.779 -2.531 1.00 0.60 C ATOM 361 CG LEU A 30 -3.649 3.622 -3.194 1.00 0.67 C ATOM 362 CD1 LEU A 30 -5.151 3.812 -3.062 1.00 0.69 C ATOM 363 CD2 LEU A 30 -3.252 3.494 -4.657 1.00 0.73 C ATOM 0 H LEU A 30 -1.176 5.904 -0.654 1.00 0.54 H new ATOM 0 HA LEU A 30 -3.930 4.818 -0.645 1.00 0.56 H new ATOM 0 HB2 LEU A 30 -3.332 5.718 -2.872 1.00 0.60 H new ATOM 0 HB3 LEU A 30 -1.862 4.764 -2.876 1.00 0.60 H new ATOM 0 HG LEU A 30 -3.376 2.699 -2.682 1.00 0.67 H new ATOM 0 HD11 LEU A 30 -5.667 2.979 -3.540 1.00 0.69 H new ATOM 0 HD12 LEU A 30 -5.422 3.849 -2.007 1.00 0.69 H new ATOM 0 HD13 LEU A 30 -5.444 4.745 -3.545 1.00 0.69 H new ATOM 0 HD21 LEU A 30 -3.797 2.667 -5.111 1.00 0.73 H new ATOM 0 HD22 LEU A 30 -3.493 4.419 -5.182 1.00 0.73 H new ATOM 0 HD23 LEU A 30 -2.181 3.305 -4.728 1.00 0.73 H new ATOM 375 N GLN A 31 -3.104 2.477 -0.192 1.00 0.50 N ATOM 376 CA GLN A 31 -2.613 1.190 0.292 1.00 0.51 C ATOM 377 C GLN A 31 -3.359 0.035 -0.374 1.00 0.52 C ATOM 378 O GLN A 31 -4.569 -0.120 -0.205 1.00 0.61 O ATOM 379 CB GLN A 31 -2.749 1.099 1.814 1.00 0.54 C ATOM 380 CG GLN A 31 -1.848 2.062 2.572 1.00 0.61 C ATOM 381 CD GLN A 31 -2.161 2.115 4.054 1.00 0.84 C ATOM 382 OE1 GLN A 31 -2.983 2.916 4.499 1.00 1.16 O ATOM 383 NE2 GLN A 31 -1.500 1.264 4.829 1.00 1.16 N ATOM 0 H GLN A 31 -4.119 2.539 -0.271 1.00 0.50 H new ATOM 0 HA GLN A 31 -1.558 1.114 0.030 1.00 0.51 H new ATOM 0 HB2 GLN A 31 -3.786 1.294 2.089 1.00 0.54 H new ATOM 0 HB3 GLN A 31 -2.522 0.080 2.129 1.00 0.54 H new ATOM 0 HG2 GLN A 31 -0.808 1.764 2.435 1.00 0.61 H new ATOM 0 HG3 GLN A 31 -1.952 3.060 2.147 1.00 0.61 H new ATOM 0 HE21 GLN A 31 -0.827 0.617 4.418 1.00 1.16 H new ATOM 0 HE22 GLN A 31 -1.665 1.257 5.836 1.00 1.16 H new ATOM 392 N VAL A 32 -2.621 -0.770 -1.134 1.00 0.49 N ATOM 393 CA VAL A 32 -3.187 -1.915 -1.839 1.00 0.51 C ATOM 394 C VAL A 32 -2.841 -3.223 -1.129 1.00 0.50 C ATOM 395 O VAL A 32 -1.708 -3.699 -1.199 1.00 0.61 O ATOM 396 CB VAL A 32 -2.678 -1.987 -3.296 1.00 0.56 C ATOM 397 CG1 VAL A 32 -3.521 -2.954 -4.114 1.00 0.62 C ATOM 398 CG2 VAL A 32 -2.672 -0.605 -3.937 1.00 0.59 C ATOM 0 H VAL A 32 -1.619 -0.647 -1.278 1.00 0.49 H new ATOM 0 HA VAL A 32 -4.269 -1.780 -1.845 1.00 0.51 H new ATOM 0 HB VAL A 32 -1.653 -2.358 -3.278 1.00 0.56 H new ATOM 0 HG11 VAL A 32 -3.145 -2.989 -5.137 1.00 0.62 H new ATOM 0 HG12 VAL A 32 -3.465 -3.949 -3.672 1.00 0.62 H new ATOM 0 HG13 VAL A 32 -4.558 -2.618 -4.120 1.00 0.62 H new ATOM 0 HG21 VAL A 32 -2.310 -0.681 -4.962 1.00 0.59 H new ATOM 0 HG22 VAL A 32 -3.684 -0.200 -3.939 1.00 0.59 H new ATOM 0 HG23 VAL A 32 -2.018 0.057 -3.369 1.00 0.59 H new ATOM 408 N PHE A 33 -3.828 -3.795 -0.450 1.00 0.48 N ATOM 409 CA PHE A 33 -3.649 -5.046 0.279 1.00 0.49 C ATOM 410 C PHE A 33 -4.075 -6.237 -0.574 1.00 0.52 C ATOM 411 O PHE A 33 -5.088 -6.177 -1.269 1.00 0.57 O ATOM 412 CB PHE A 33 -4.473 -5.023 1.572 1.00 0.52 C ATOM 413 CG PHE A 33 -3.933 -4.097 2.626 1.00 0.53 C ATOM 414 CD1 PHE A 33 -4.224 -2.741 2.597 1.00 0.60 C ATOM 415 CD2 PHE A 33 -3.138 -4.584 3.651 1.00 0.63 C ATOM 416 CE1 PHE A 33 -3.732 -1.891 3.569 1.00 0.68 C ATOM 417 CE2 PHE A 33 -2.644 -3.738 4.625 1.00 0.73 C ATOM 418 CZ PHE A 33 -2.940 -2.391 4.584 1.00 0.72 C ATOM 0 H PHE A 33 -4.770 -3.408 -0.389 1.00 0.48 H new ATOM 0 HA PHE A 33 -2.591 -5.149 0.522 1.00 0.49 H new ATOM 0 HB2 PHE A 33 -5.495 -4.729 1.334 1.00 0.52 H new ATOM 0 HB3 PHE A 33 -4.519 -6.033 1.979 1.00 0.52 H new ATOM 0 HD1 PHE A 33 -4.843 -2.345 1.805 1.00 0.60 H new ATOM 0 HD2 PHE A 33 -2.902 -5.637 3.689 1.00 0.63 H new ATOM 0 HE1 PHE A 33 -3.966 -0.837 3.535 1.00 0.68 H new ATOM 0 HE2 PHE A 33 -2.026 -4.131 5.419 1.00 0.73 H new ATOM 0 HZ PHE A 33 -2.553 -1.729 5.344 1.00 0.72 H new ATOM 428 N ALA A 34 -3.300 -7.320 -0.520 1.00 0.53 N ATOM 429 CA ALA A 34 -3.617 -8.520 -1.288 1.00 0.58 C ATOM 430 C ALA A 34 -4.290 -9.582 -0.411 1.00 0.58 C ATOM 431 O ALA A 34 -5.105 -9.259 0.455 1.00 0.62 O ATOM 432 CB ALA A 34 -2.359 -9.075 -1.942 1.00 0.66 C ATOM 0 H ALA A 34 -2.453 -7.390 0.045 1.00 0.53 H new ATOM 0 HA ALA A 34 -4.324 -8.245 -2.071 1.00 0.58 H new ATOM 0 HB1 ALA A 34 -2.610 -9.970 -2.512 1.00 0.66 H new ATOM 0 HB2 ALA A 34 -1.936 -8.326 -2.611 1.00 0.66 H new ATOM 0 HB3 ALA A 34 -1.630 -9.327 -1.172 1.00 0.66 H new ATOM 438 N ILE A 35 -3.947 -10.849 -0.647 1.00 0.63 N ATOM 439 CA ILE A 35 -4.517 -11.964 0.107 1.00 0.65 C ATOM 440 C ILE A 35 -3.902 -12.076 1.503 1.00 0.62 C ATOM 441 O ILE A 35 -2.680 -12.107 1.659 1.00 0.68 O ATOM 442 CB ILE A 35 -4.320 -13.300 -0.646 1.00 0.77 C ATOM 443 CG1 ILE A 35 -5.018 -13.249 -2.009 1.00 0.91 C ATOM 444 CG2 ILE A 35 -4.843 -14.472 0.178 1.00 0.80 C ATOM 445 CD1 ILE A 35 -4.758 -14.468 -2.871 1.00 1.14 C ATOM 0 H ILE A 35 -3.273 -11.129 -1.359 1.00 0.63 H new ATOM 0 HA ILE A 35 -5.583 -11.762 0.212 1.00 0.65 H new ATOM 0 HB ILE A 35 -3.252 -13.449 -0.805 1.00 0.77 H new ATOM 0 HG12 ILE A 35 -6.092 -13.147 -1.854 1.00 0.91 H new ATOM 0 HG13 ILE A 35 -4.687 -12.359 -2.544 1.00 0.91 H new ATOM 0 HG21 ILE A 35 -4.693 -15.400 -0.373 1.00 0.80 H new ATOM 0 HG22 ILE A 35 -4.304 -14.521 1.124 1.00 0.80 H new ATOM 0 HG23 ILE A 35 -5.906 -14.334 0.373 1.00 0.80 H new ATOM 0 HD11 ILE A 35 -5.284 -14.361 -3.820 1.00 1.14 H new ATOM 0 HD12 ILE A 35 -3.688 -14.560 -3.057 1.00 1.14 H new ATOM 0 HD13 ILE A 35 -5.115 -15.360 -2.357 1.00 1.14 H new ATOM 457 N GLY A 36 -4.768 -12.136 2.511 1.00 0.61 N ATOM 458 CA GLY A 36 -4.322 -12.256 3.886 1.00 0.63 C ATOM 459 C GLY A 36 -5.151 -13.267 4.664 1.00 0.65 C ATOM 460 O GLY A 36 -6.043 -13.899 4.097 1.00 0.66 O ATOM 0 H GLY A 36 -5.781 -12.103 2.396 1.00 0.61 H new ATOM 0 HA2 GLY A 36 -3.274 -12.555 3.903 1.00 0.63 H new ATOM 0 HA3 GLY A 36 -4.384 -11.283 4.374 1.00 0.63 H new ATOM 464 N PRO A 37 -4.878 -13.440 5.972 1.00 0.69 N ATOM 465 CA PRO A 37 -5.610 -14.386 6.829 1.00 0.74 C ATOM 466 C PRO A 37 -6.991 -13.869 7.234 1.00 0.72 C ATOM 467 O PRO A 37 -7.787 -14.597 7.828 1.00 0.77 O ATOM 468 CB PRO A 37 -4.712 -14.521 8.070 1.00 0.81 C ATOM 469 CG PRO A 37 -3.462 -13.762 7.769 1.00 0.79 C ATOM 470 CD PRO A 37 -3.827 -12.748 6.726 1.00 0.71 C ATOM 0 HA PRO A 37 -5.798 -15.328 6.313 1.00 0.74 H new ATOM 0 HB2 PRO A 37 -5.207 -14.119 8.954 1.00 0.81 H new ATOM 0 HB3 PRO A 37 -4.491 -15.568 8.277 1.00 0.81 H new ATOM 0 HG2 PRO A 37 -3.076 -13.276 8.665 1.00 0.79 H new ATOM 0 HG3 PRO A 37 -2.680 -14.429 7.406 1.00 0.79 H new ATOM 0 HD2 PRO A 37 -4.188 -11.820 7.170 1.00 0.71 H new ATOM 0 HD3 PRO A 37 -2.977 -12.490 6.095 1.00 0.71 H new ATOM 478 N GLN A 38 -7.268 -12.612 6.905 1.00 0.66 N ATOM 479 CA GLN A 38 -8.554 -11.983 7.241 1.00 0.65 C ATOM 480 C GLN A 38 -9.428 -11.706 6.005 1.00 0.61 C ATOM 481 O GLN A 38 -10.632 -11.493 6.122 1.00 0.62 O ATOM 482 CB GLN A 38 -8.290 -10.691 8.023 1.00 0.65 C ATOM 483 CG GLN A 38 -7.520 -9.628 7.231 1.00 0.60 C ATOM 484 CD GLN A 38 -7.303 -8.383 8.086 1.00 0.63 C ATOM 485 OE1 GLN A 38 -6.652 -8.396 9.117 1.00 0.73 O ATOM 486 NE2 GLN A 38 -7.809 -7.270 7.614 1.00 0.61 N ATOM 0 H GLN A 38 -6.622 -12.002 6.405 1.00 0.66 H new ATOM 0 HA GLN A 38 -9.118 -12.684 7.856 1.00 0.65 H new ATOM 0 HB2 GLN A 38 -9.244 -10.271 8.343 1.00 0.65 H new ATOM 0 HB3 GLN A 38 -7.730 -10.933 8.926 1.00 0.65 H new ATOM 0 HG2 GLN A 38 -6.559 -10.029 6.911 1.00 0.60 H new ATOM 0 HG3 GLN A 38 -8.073 -9.366 6.329 1.00 0.60 H new ATOM 0 HE21 GLN A 38 -8.350 -7.282 6.750 1.00 0.61 H new ATOM 0 HE22 GLN A 38 -7.661 -6.392 8.111 1.00 0.61 H new ATOM 495 N CYS A 39 -8.785 -11.633 4.841 1.00 0.57 N ATOM 496 CA CYS A 39 -9.479 -11.326 3.596 1.00 0.55 C ATOM 497 C CYS A 39 -8.746 -11.923 2.401 1.00 0.61 C ATOM 498 O CYS A 39 -7.541 -11.735 2.248 1.00 0.71 O ATOM 499 CB CYS A 39 -9.570 -9.804 3.430 1.00 0.49 C ATOM 500 SG CYS A 39 -10.993 -9.225 2.450 1.00 0.47 S ATOM 0 H CYS A 39 -7.782 -11.783 4.736 1.00 0.57 H new ATOM 0 HA CYS A 39 -10.478 -11.760 3.639 1.00 0.55 H new ATOM 0 HB2 CYS A 39 -9.618 -9.347 4.419 1.00 0.49 H new ATOM 0 HB3 CYS A 39 -8.654 -9.449 2.959 1.00 0.49 H new ATOM 505 N SER A 40 -9.477 -12.634 1.550 1.00 0.67 N ATOM 506 CA SER A 40 -8.885 -13.246 0.367 1.00 0.78 C ATOM 507 C SER A 40 -9.212 -12.423 -0.880 1.00 0.74 C ATOM 508 O SER A 40 -9.479 -12.972 -1.950 1.00 0.97 O ATOM 509 CB SER A 40 -9.390 -14.683 0.208 1.00 0.92 C ATOM 510 OG SER A 40 -8.610 -15.401 -0.734 1.00 1.07 O ATOM 0 H SER A 40 -10.478 -12.800 1.657 1.00 0.67 H new ATOM 0 HA SER A 40 -7.802 -13.268 0.490 1.00 0.78 H new ATOM 0 HB2 SER A 40 -9.359 -15.191 1.172 1.00 0.92 H new ATOM 0 HB3 SER A 40 -10.432 -14.671 -0.112 1.00 0.92 H new ATOM 0 HG SER A 40 -8.625 -14.933 -1.595 1.00 1.07 H new ATOM 516 N LYS A 41 -9.184 -11.101 -0.732 1.00 0.72 N ATOM 517 CA LYS A 41 -9.480 -10.195 -1.836 1.00 0.69 C ATOM 518 C LYS A 41 -8.676 -8.900 -1.706 1.00 0.68 C ATOM 519 O LYS A 41 -8.272 -8.520 -0.605 1.00 0.70 O ATOM 520 CB LYS A 41 -10.979 -9.880 -1.871 1.00 0.68 C ATOM 521 CG LYS A 41 -11.464 -9.346 -3.209 1.00 0.77 C ATOM 522 CD LYS A 41 -12.955 -9.055 -3.184 1.00 0.88 C ATOM 523 CE LYS A 41 -13.430 -8.477 -4.508 1.00 1.07 C ATOM 524 NZ LYS A 41 -14.883 -8.153 -4.486 1.00 1.29 N ATOM 0 H LYS A 41 -8.958 -10.633 0.146 1.00 0.72 H new ATOM 0 HA LYS A 41 -9.196 -10.685 -2.767 1.00 0.69 H new ATOM 0 HB2 LYS A 41 -11.536 -10.785 -1.628 1.00 0.68 H new ATOM 0 HB3 LYS A 41 -11.205 -9.148 -1.095 1.00 0.68 H new ATOM 0 HG2 LYS A 41 -10.919 -8.436 -3.458 1.00 0.77 H new ATOM 0 HG3 LYS A 41 -11.247 -10.072 -3.992 1.00 0.77 H new ATOM 0 HD2 LYS A 41 -13.503 -9.972 -2.968 1.00 0.88 H new ATOM 0 HD3 LYS A 41 -13.177 -8.355 -2.379 1.00 0.88 H new ATOM 0 HE2 LYS A 41 -12.861 -7.575 -4.735 1.00 1.07 H new ATOM 0 HE3 LYS A 41 -13.230 -9.190 -5.308 1.00 1.07 H new ATOM 0 HZ1 LYS A 41 -15.165 -7.762 -5.407 1.00 1.29 H new ATOM 0 HZ2 LYS A 41 -15.429 -9.018 -4.295 1.00 1.29 H new ATOM 0 HZ3 LYS A 41 -15.071 -7.453 -3.740 1.00 1.29 H new ATOM 538 N VAL A 42 -8.448 -8.232 -2.836 1.00 0.67 N ATOM 539 CA VAL A 42 -7.698 -6.978 -2.854 1.00 0.68 C ATOM 540 C VAL A 42 -8.598 -5.789 -2.516 1.00 0.67 C ATOM 541 O VAL A 42 -9.668 -5.620 -3.106 1.00 0.75 O ATOM 542 CB VAL A 42 -7.029 -6.738 -4.228 1.00 0.74 C ATOM 543 CG1 VAL A 42 -5.803 -7.621 -4.386 1.00 0.80 C ATOM 544 CG2 VAL A 42 -8.010 -6.981 -5.369 1.00 0.83 C ATOM 0 H VAL A 42 -8.773 -8.540 -3.753 1.00 0.67 H new ATOM 0 HA VAL A 42 -6.921 -7.065 -2.094 1.00 0.68 H new ATOM 0 HB VAL A 42 -6.716 -5.695 -4.269 1.00 0.74 H new ATOM 0 HG11 VAL A 42 -5.346 -7.438 -5.358 1.00 0.80 H new ATOM 0 HG12 VAL A 42 -5.085 -7.391 -3.599 1.00 0.80 H new ATOM 0 HG13 VAL A 42 -6.097 -8.668 -4.314 1.00 0.80 H new ATOM 0 HG21 VAL A 42 -7.511 -6.804 -6.322 1.00 0.83 H new ATOM 0 HG22 VAL A 42 -8.365 -8.011 -5.331 1.00 0.83 H new ATOM 0 HG23 VAL A 42 -8.857 -6.302 -5.272 1.00 0.83 H new ATOM 554 N GLU A 43 -8.168 -4.972 -1.552 1.00 0.60 N ATOM 555 CA GLU A 43 -8.946 -3.805 -1.147 1.00 0.59 C ATOM 556 C GLU A 43 -8.063 -2.561 -1.132 1.00 0.58 C ATOM 557 O GLU A 43 -6.978 -2.570 -0.550 1.00 0.63 O ATOM 558 CB GLU A 43 -9.567 -4.039 0.234 1.00 0.60 C ATOM 559 CG GLU A 43 -10.258 -5.389 0.359 1.00 0.66 C ATOM 560 CD GLU A 43 -10.971 -5.572 1.676 1.00 0.70 C ATOM 561 OE1 GLU A 43 -10.322 -5.438 2.731 1.00 0.75 O ATOM 562 OE2 GLU A 43 -12.181 -5.862 1.651 1.00 0.79 O ATOM 0 H GLU A 43 -7.293 -5.097 -1.043 1.00 0.60 H new ATOM 0 HA GLU A 43 -9.749 -3.650 -1.867 1.00 0.59 H new ATOM 0 HB2 GLU A 43 -8.788 -3.965 0.993 1.00 0.60 H new ATOM 0 HB3 GLU A 43 -10.288 -3.248 0.440 1.00 0.60 H new ATOM 0 HG2 GLU A 43 -10.976 -5.499 -0.454 1.00 0.66 H new ATOM 0 HG3 GLU A 43 -9.518 -6.181 0.241 1.00 0.66 H new ATOM 569 N VAL A 44 -8.532 -1.493 -1.772 1.00 0.55 N ATOM 570 CA VAL A 44 -7.760 -0.258 -1.841 1.00 0.56 C ATOM 571 C VAL A 44 -8.244 0.784 -0.836 1.00 0.54 C ATOM 572 O VAL A 44 -9.301 1.393 -0.995 1.00 0.57 O ATOM 573 CB VAL A 44 -7.771 0.358 -3.257 1.00 0.60 C ATOM 574 CG1 VAL A 44 -6.701 -0.284 -4.125 1.00 0.66 C ATOM 575 CG2 VAL A 44 -9.136 0.214 -3.907 1.00 0.64 C ATOM 0 H VAL A 44 -9.435 -1.458 -2.246 1.00 0.55 H new ATOM 0 HA VAL A 44 -6.738 -0.539 -1.588 1.00 0.56 H new ATOM 0 HB VAL A 44 -7.553 1.422 -3.162 1.00 0.60 H new ATOM 0 HG11 VAL A 44 -6.723 0.162 -5.119 1.00 0.66 H new ATOM 0 HG12 VAL A 44 -5.721 -0.121 -3.676 1.00 0.66 H new ATOM 0 HG13 VAL A 44 -6.890 -1.355 -4.203 1.00 0.66 H new ATOM 0 HG21 VAL A 44 -9.113 0.657 -4.903 1.00 0.64 H new ATOM 0 HG22 VAL A 44 -9.392 -0.843 -3.985 1.00 0.64 H new ATOM 0 HG23 VAL A 44 -9.884 0.724 -3.300 1.00 0.64 H new ATOM 585 N VAL A 45 -7.454 0.962 0.209 1.00 0.51 N ATOM 586 CA VAL A 45 -7.743 1.953 1.268 1.00 0.50 C ATOM 587 C VAL A 45 -7.034 3.292 0.974 1.00 0.51 C ATOM 588 O VAL A 45 -6.060 3.377 0.221 1.00 0.54 O ATOM 589 CB VAL A 45 -7.441 1.410 2.686 1.00 0.51 C ATOM 590 CG1 VAL A 45 -8.128 0.092 2.960 1.00 0.69 C ATOM 591 CG2 VAL A 45 -6.009 1.005 2.948 1.00 0.67 C ATOM 0 H VAL A 45 -6.595 0.434 0.360 1.00 0.51 H new ATOM 0 HA VAL A 45 -8.816 2.146 1.256 1.00 0.50 H new ATOM 0 HB VAL A 45 -7.762 2.259 3.290 1.00 0.51 H new ATOM 0 HG11 VAL A 45 -7.883 -0.244 3.968 1.00 0.69 H new ATOM 0 HG12 VAL A 45 -9.207 0.219 2.873 1.00 0.69 H new ATOM 0 HG13 VAL A 45 -7.791 -0.651 2.238 1.00 0.69 H new ATOM 0 HG21 VAL A 45 -5.915 0.641 3.971 1.00 0.67 H new ATOM 0 HG22 VAL A 45 -5.721 0.215 2.254 1.00 0.67 H new ATOM 0 HG23 VAL A 45 -5.356 1.866 2.808 1.00 0.67 H new ATOM 601 N ALA A 46 -7.647 4.365 1.440 1.00 0.52 N ATOM 602 CA ALA A 46 -7.109 5.729 1.251 1.00 0.54 C ATOM 603 C ALA A 46 -7.302 6.577 2.510 1.00 0.55 C ATOM 604 O ALA A 46 -8.193 6.313 3.323 1.00 0.55 O ATOM 605 CB ALA A 46 -7.794 6.397 0.053 1.00 0.58 C ATOM 0 H ALA A 46 -8.525 4.333 1.958 1.00 0.52 H new ATOM 0 HA ALA A 46 -6.039 5.652 1.058 1.00 0.54 H new ATOM 0 HB1 ALA A 46 -7.394 7.402 -0.081 1.00 0.58 H new ATOM 0 HB2 ALA A 46 -7.609 5.809 -0.846 1.00 0.58 H new ATOM 0 HB3 ALA A 46 -8.867 6.455 0.234 1.00 0.58 H new ATOM 611 N SER A 47 -6.424 7.558 2.667 1.00 0.57 N ATOM 612 CA SER A 47 -6.491 8.519 3.782 1.00 0.60 C ATOM 613 C SER A 47 -6.549 9.951 3.249 1.00 0.64 C ATOM 614 O SER A 47 -5.775 10.356 2.371 1.00 0.65 O ATOM 615 CB SER A 47 -5.283 8.388 4.708 1.00 0.63 C ATOM 616 OG SER A 47 -5.160 7.038 5.159 1.00 0.62 O ATOM 0 H SER A 47 -5.643 7.718 2.031 1.00 0.57 H new ATOM 0 HA SER A 47 -7.395 8.294 4.347 1.00 0.60 H new ATOM 0 HB2 SER A 47 -4.377 8.689 4.183 1.00 0.63 H new ATOM 0 HB3 SER A 47 -5.394 9.057 5.561 1.00 0.63 H new ATOM 0 HG SER A 47 -4.383 6.960 5.751 1.00 0.62 H new ATOM 622 N LEU A 48 -7.476 10.719 3.812 1.00 0.66 N ATOM 623 CA LEU A 48 -7.670 12.109 3.429 1.00 0.71 C ATOM 624 C LEU A 48 -6.687 13.017 4.162 1.00 0.74 C ATOM 625 O LEU A 48 -5.998 12.583 5.086 1.00 0.74 O ATOM 626 CB LEU A 48 -9.108 12.553 3.732 1.00 0.72 C ATOM 627 CG LEU A 48 -10.186 12.001 2.791 1.00 0.74 C ATOM 628 CD1 LEU A 48 -10.576 10.582 3.181 1.00 0.72 C ATOM 629 CD2 LEU A 48 -11.405 12.909 2.795 1.00 0.79 C ATOM 0 H LEU A 48 -8.110 10.396 4.543 1.00 0.66 H new ATOM 0 HA LEU A 48 -7.489 12.190 2.357 1.00 0.71 H new ATOM 0 HB2 LEU A 48 -9.354 12.255 4.751 1.00 0.72 H new ATOM 0 HB3 LEU A 48 -9.147 13.642 3.700 1.00 0.72 H new ATOM 0 HG LEU A 48 -9.775 11.972 1.782 1.00 0.74 H new ATOM 0 HD11 LEU A 48 -11.342 10.214 2.498 1.00 0.72 H new ATOM 0 HD12 LEU A 48 -9.700 9.936 3.126 1.00 0.72 H new ATOM 0 HD13 LEU A 48 -10.966 10.579 4.199 1.00 0.72 H new ATOM 0 HD21 LEU A 48 -12.162 12.505 2.123 1.00 0.79 H new ATOM 0 HD22 LEU A 48 -11.811 12.969 3.805 1.00 0.79 H new ATOM 0 HD23 LEU A 48 -11.117 13.906 2.460 1.00 0.79 H new ATOM 641 N LYS A 49 -6.634 14.280 3.747 1.00 0.80 N ATOM 642 CA LYS A 49 -5.742 15.257 4.364 1.00 0.86 C ATOM 643 C LYS A 49 -6.292 15.708 5.719 1.00 0.87 C ATOM 644 O LYS A 49 -5.568 16.272 6.542 1.00 0.93 O ATOM 645 CB LYS A 49 -5.558 16.463 3.435 1.00 0.94 C ATOM 646 CG LYS A 49 -4.518 17.466 3.916 1.00 1.01 C ATOM 647 CD LYS A 49 -3.120 16.864 3.936 1.00 1.07 C ATOM 648 CE LYS A 49 -2.111 17.819 4.554 1.00 1.20 C ATOM 649 NZ LYS A 49 -2.426 18.114 5.981 1.00 1.23 N ATOM 0 H LYS A 49 -7.200 14.651 2.984 1.00 0.80 H new ATOM 0 HA LYS A 49 -4.772 14.787 4.527 1.00 0.86 H new ATOM 0 HB2 LYS A 49 -5.272 16.106 2.446 1.00 0.94 H new ATOM 0 HB3 LYS A 49 -6.515 16.973 3.325 1.00 0.94 H new ATOM 0 HG2 LYS A 49 -4.528 18.340 3.265 1.00 1.01 H new ATOM 0 HG3 LYS A 49 -4.780 17.810 4.917 1.00 1.01 H new ATOM 0 HD2 LYS A 49 -3.132 15.931 4.500 1.00 1.07 H new ATOM 0 HD3 LYS A 49 -2.814 16.618 2.919 1.00 1.07 H new ATOM 0 HE2 LYS A 49 -1.113 17.387 4.484 1.00 1.20 H new ATOM 0 HE3 LYS A 49 -2.096 18.749 3.986 1.00 1.20 H new ATOM 0 HZ1 LYS A 49 -1.588 18.520 6.445 1.00 1.23 H new ATOM 0 HZ2 LYS A 49 -3.212 18.793 6.030 1.00 1.23 H new ATOM 0 HZ3 LYS A 49 -2.698 17.235 6.465 1.00 1.23 H new ATOM 663 N ASN A 50 -7.575 15.437 5.947 1.00 0.84 N ATOM 664 CA ASN A 50 -8.233 15.803 7.197 1.00 0.88 C ATOM 665 C ASN A 50 -7.879 14.820 8.313 1.00 0.84 C ATOM 666 O ASN A 50 -8.142 15.080 9.486 1.00 1.01 O ATOM 667 CB ASN A 50 -9.752 15.843 7.002 1.00 0.90 C ATOM 668 CG ASN A 50 -10.176 16.819 5.920 1.00 0.98 C ATOM 669 OD1 ASN A 50 -9.528 17.843 5.698 1.00 1.05 O ATOM 670 ND2 ASN A 50 -11.270 16.503 5.236 1.00 1.01 N ATOM 0 H ASN A 50 -8.182 14.963 5.278 1.00 0.84 H new ATOM 0 HA ASN A 50 -7.880 16.793 7.487 1.00 0.88 H new ATOM 0 HB2 ASN A 50 -10.108 14.845 6.746 1.00 0.90 H new ATOM 0 HB3 ASN A 50 -10.228 16.120 7.943 1.00 0.90 H new ATOM 0 HD21 ASN A 50 -11.603 17.119 4.494 1.00 1.01 H new ATOM 0 HD22 ASN A 50 -11.777 15.645 5.453 1.00 1.01 H new ATOM 677 N GLY A 51 -7.283 13.690 7.936 1.00 0.70 N ATOM 678 CA GLY A 51 -6.902 12.685 8.913 1.00 0.69 C ATOM 679 C GLY A 51 -7.943 11.594 9.059 1.00 0.64 C ATOM 680 O GLY A 51 -8.268 11.184 10.174 1.00 0.69 O ATOM 0 H GLY A 51 -7.057 13.453 6.970 1.00 0.70 H new ATOM 0 HA2 GLY A 51 -5.952 12.239 8.619 1.00 0.69 H new ATOM 0 HA3 GLY A 51 -6.744 13.164 9.879 1.00 0.69 H new ATOM 684 N LYS A 52 -8.469 11.124 7.932 1.00 0.60 N ATOM 685 CA LYS A 52 -9.482 10.075 7.938 1.00 0.57 C ATOM 686 C LYS A 52 -9.083 8.911 7.036 1.00 0.53 C ATOM 687 O LYS A 52 -8.202 9.041 6.192 1.00 0.62 O ATOM 688 CB LYS A 52 -10.836 10.632 7.491 1.00 0.62 C ATOM 689 CG LYS A 52 -11.458 11.605 8.482 1.00 0.70 C ATOM 690 CD LYS A 52 -12.896 11.942 8.114 1.00 0.86 C ATOM 691 CE LYS A 52 -13.826 10.760 8.346 1.00 0.96 C ATOM 692 NZ LYS A 52 -15.242 11.098 8.033 1.00 1.19 N ATOM 0 H LYS A 52 -8.210 11.454 7.002 1.00 0.60 H new ATOM 0 HA LYS A 52 -9.565 9.706 8.960 1.00 0.57 H new ATOM 0 HB2 LYS A 52 -10.713 11.134 6.532 1.00 0.62 H new ATOM 0 HB3 LYS A 52 -11.524 9.802 7.330 1.00 0.62 H new ATOM 0 HG2 LYS A 52 -11.430 11.173 9.482 1.00 0.70 H new ATOM 0 HG3 LYS A 52 -10.867 12.520 8.513 1.00 0.70 H new ATOM 0 HD2 LYS A 52 -13.234 12.793 8.706 1.00 0.86 H new ATOM 0 HD3 LYS A 52 -12.943 12.243 7.067 1.00 0.86 H new ATOM 0 HE2 LYS A 52 -13.508 9.921 7.727 1.00 0.96 H new ATOM 0 HE3 LYS A 52 -13.751 10.437 9.384 1.00 0.96 H new ATOM 0 HZ1 LYS A 52 -15.843 10.267 8.204 1.00 1.19 H new ATOM 0 HZ2 LYS A 52 -15.554 11.882 8.641 1.00 1.19 H new ATOM 0 HZ3 LYS A 52 -15.319 11.382 7.035 1.00 1.19 H new ATOM 706 N GLU A 53 -9.747 7.778 7.230 1.00 0.52 N ATOM 707 CA GLU A 53 -9.489 6.562 6.439 1.00 0.49 C ATOM 708 C GLU A 53 -10.816 5.948 5.977 1.00 0.49 C ATOM 709 O GLU A 53 -11.757 5.788 6.758 1.00 0.51 O ATOM 710 CB GLU A 53 -8.686 5.560 7.275 1.00 0.49 C ATOM 711 CG GLU A 53 -9.485 5.039 8.478 1.00 0.63 C ATOM 712 CD GLU A 53 -8.651 4.226 9.450 1.00 0.63 C ATOM 713 OE1 GLU A 53 -7.689 4.818 9.987 1.00 0.64 O ATOM 714 OE2 GLU A 53 -9.045 3.066 9.692 1.00 0.69 O ATOM 0 H GLU A 53 -10.477 7.667 7.934 1.00 0.52 H new ATOM 0 HA GLU A 53 -8.905 6.821 5.556 1.00 0.49 H new ATOM 0 HB2 GLU A 53 -8.389 4.720 6.647 1.00 0.49 H new ATOM 0 HB3 GLU A 53 -7.770 6.034 7.627 1.00 0.49 H new ATOM 0 HG2 GLU A 53 -9.924 5.885 9.007 1.00 0.63 H new ATOM 0 HG3 GLU A 53 -10.311 4.425 8.118 1.00 0.63 H new ATOM 721 N ILE A 54 -10.879 5.679 4.694 1.00 0.47 N ATOM 722 CA ILE A 54 -12.072 5.046 4.098 1.00 0.47 C ATOM 723 C ILE A 54 -11.656 3.810 3.287 1.00 0.45 C ATOM 724 O ILE A 54 -10.469 3.519 3.123 1.00 0.43 O ATOM 725 CB ILE A 54 -12.878 6.066 3.272 1.00 0.49 C ATOM 726 CG1 ILE A 54 -12.053 6.593 2.083 1.00 0.48 C ATOM 727 CG2 ILE A 54 -13.424 7.182 4.181 1.00 0.53 C ATOM 728 CD1 ILE A 54 -12.831 7.478 1.105 1.00 0.51 C ATOM 0 H ILE A 54 -10.131 5.881 4.031 1.00 0.47 H new ATOM 0 HA ILE A 54 -12.738 4.703 4.890 1.00 0.47 H new ATOM 0 HB ILE A 54 -13.744 5.568 2.836 1.00 0.49 H new ATOM 0 HG12 ILE A 54 -11.206 7.160 2.469 1.00 0.48 H new ATOM 0 HG13 ILE A 54 -11.645 5.743 1.536 1.00 0.48 H new ATOM 0 HG21 ILE A 54 -13.991 7.894 3.582 1.00 0.53 H new ATOM 0 HG22 ILE A 54 -14.074 6.747 4.940 1.00 0.53 H new ATOM 0 HG23 ILE A 54 -12.594 7.695 4.666 1.00 0.53 H new ATOM 0 HD11 ILE A 54 -12.169 7.802 0.302 1.00 0.51 H new ATOM 0 HD12 ILE A 54 -13.662 6.912 0.684 1.00 0.51 H new ATOM 0 HD13 ILE A 54 -13.216 8.351 1.632 1.00 0.51 H new ATOM 740 N CYS A 55 -12.663 3.165 2.718 1.00 0.46 N ATOM 741 CA CYS A 55 -12.463 1.991 1.858 1.00 0.44 C ATOM 742 C CYS A 55 -13.177 2.213 0.532 1.00 0.46 C ATOM 743 O CYS A 55 -14.329 2.636 0.481 1.00 0.49 O ATOM 744 CB CYS A 55 -13.044 0.751 2.522 1.00 0.45 C ATOM 745 SG CYS A 55 -12.120 0.211 4.005 1.00 0.43 S ATOM 0 H CYS A 55 -13.640 3.433 2.834 1.00 0.46 H new ATOM 0 HA CYS A 55 -11.395 1.850 1.695 1.00 0.44 H new ATOM 0 HB2 CYS A 55 -14.078 0.950 2.802 1.00 0.45 H new ATOM 0 HB3 CYS A 55 -13.061 -0.064 1.798 1.00 0.45 H new ATOM 750 N LEU A 56 -12.490 1.823 -0.517 1.00 0.46 N ATOM 751 CA LEU A 56 -13.007 1.987 -1.872 1.00 0.49 C ATOM 752 C LEU A 56 -13.258 0.600 -2.473 1.00 0.50 C ATOM 753 O LEU A 56 -12.593 -0.381 -2.123 1.00 0.48 O ATOM 754 CB LEU A 56 -11.932 2.813 -2.593 1.00 0.49 C ATOM 755 CG LEU A 56 -11.604 4.206 -2.039 1.00 0.48 C ATOM 756 CD1 LEU A 56 -10.686 4.925 -3.027 1.00 0.49 C ATOM 757 CD2 LEU A 56 -12.851 5.049 -1.769 1.00 0.51 C ATOM 0 H LEU A 56 -11.569 1.388 -0.466 1.00 0.46 H new ATOM 0 HA LEU A 56 -13.965 2.503 -1.944 1.00 0.49 H new ATOM 0 HB2 LEU A 56 -11.011 2.230 -2.599 1.00 0.49 H new ATOM 0 HB3 LEU A 56 -12.241 2.931 -3.631 1.00 0.49 H new ATOM 0 HG LEU A 56 -11.108 4.074 -1.077 1.00 0.48 H new ATOM 0 HD11 LEU A 56 -10.445 5.917 -2.644 1.00 0.49 H new ATOM 0 HD12 LEU A 56 -9.767 4.352 -3.153 1.00 0.49 H new ATOM 0 HD13 LEU A 56 -11.190 5.019 -3.989 1.00 0.49 H new ATOM 0 HD21 LEU A 56 -12.555 6.023 -1.379 1.00 0.51 H new ATOM 0 HD22 LEU A 56 -13.407 5.184 -2.697 1.00 0.51 H new ATOM 0 HD23 LEU A 56 -13.482 4.542 -1.039 1.00 0.51 H new ATOM 769 N ASP A 57 -14.185 0.509 -3.415 1.00 0.53 N ATOM 770 CA ASP A 57 -14.466 -0.769 -4.070 1.00 0.54 C ATOM 771 C ASP A 57 -13.824 -0.815 -5.458 1.00 0.57 C ATOM 772 O ASP A 57 -14.241 -0.082 -6.356 1.00 0.62 O ATOM 773 CB ASP A 57 -15.972 -0.994 -4.191 1.00 0.59 C ATOM 774 CG ASP A 57 -16.357 -2.444 -3.971 1.00 0.60 C ATOM 775 OD1 ASP A 57 -15.783 -3.322 -4.649 1.00 0.62 O ATOM 776 OD2 ASP A 57 -17.230 -2.702 -3.118 1.00 0.67 O ATOM 0 H ASP A 57 -14.751 1.291 -3.743 1.00 0.53 H new ATOM 0 HA ASP A 57 -14.039 -1.562 -3.456 1.00 0.54 H new ATOM 0 HB2 ASP A 57 -16.490 -0.369 -3.464 1.00 0.59 H new ATOM 0 HB3 ASP A 57 -16.306 -0.678 -5.179 1.00 0.59 H new ATOM 781 N PRO A 58 -12.799 -1.684 -5.655 1.00 0.58 N ATOM 782 CA PRO A 58 -12.095 -1.827 -6.950 1.00 0.64 C ATOM 783 C PRO A 58 -13.042 -2.202 -8.085 1.00 0.73 C ATOM 784 O PRO A 58 -12.714 -2.079 -9.267 1.00 0.86 O ATOM 785 CB PRO A 58 -11.098 -2.964 -6.698 1.00 0.68 C ATOM 786 CG PRO A 58 -10.948 -3.049 -5.220 1.00 0.63 C ATOM 787 CD PRO A 58 -12.257 -2.597 -4.633 1.00 0.59 C ATOM 0 HA PRO A 58 -11.627 -0.892 -7.259 1.00 0.64 H new ATOM 0 HB2 PRO A 58 -11.465 -3.905 -7.109 1.00 0.68 H new ATOM 0 HB3 PRO A 58 -10.141 -2.759 -7.177 1.00 0.68 H new ATOM 0 HG2 PRO A 58 -10.715 -4.068 -4.911 1.00 0.63 H new ATOM 0 HG3 PRO A 58 -10.129 -2.417 -4.876 1.00 0.63 H new ATOM 0 HD2 PRO A 58 -12.926 -3.438 -4.451 1.00 0.59 H new ATOM 0 HD3 PRO A 58 -12.115 -2.091 -3.678 1.00 0.59 H new ATOM 795 N GLU A 59 -14.219 -2.666 -7.693 1.00 0.69 N ATOM 796 CA GLU A 59 -15.290 -3.067 -8.616 1.00 0.81 C ATOM 797 C GLU A 59 -15.869 -1.895 -9.437 1.00 0.87 C ATOM 798 O GLU A 59 -16.562 -2.104 -10.434 1.00 0.96 O ATOM 799 CB GLU A 59 -16.391 -3.759 -7.804 1.00 0.84 C ATOM 800 CG GLU A 59 -17.431 -4.408 -8.716 1.00 1.11 C ATOM 801 CD GLU A 59 -18.515 -5.149 -7.938 1.00 1.18 C ATOM 802 OE1 GLU A 59 -19.200 -4.481 -7.131 1.00 1.35 O ATOM 803 OE2 GLU A 59 -18.618 -6.368 -8.174 1.00 1.29 O ATOM 0 H GLU A 59 -14.469 -2.779 -6.711 1.00 0.69 H new ATOM 0 HA GLU A 59 -14.862 -3.749 -9.351 1.00 0.81 H new ATOM 0 HB2 GLU A 59 -15.947 -4.517 -7.158 1.00 0.84 H new ATOM 0 HB3 GLU A 59 -16.878 -3.032 -7.154 1.00 0.84 H new ATOM 0 HG2 GLU A 59 -17.895 -3.640 -9.336 1.00 1.11 H new ATOM 0 HG3 GLU A 59 -16.933 -5.104 -9.390 1.00 1.11 H new ATOM 810 N ALA A 60 -15.606 -0.669 -9.004 1.00 0.84 N ATOM 811 CA ALA A 60 -16.116 0.524 -9.684 1.00 0.92 C ATOM 812 C ALA A 60 -15.023 1.156 -10.570 1.00 0.95 C ATOM 813 O ALA A 60 -13.906 1.391 -10.100 1.00 0.92 O ATOM 814 CB ALA A 60 -16.617 1.494 -8.620 1.00 0.91 C ATOM 0 H ALA A 60 -15.039 -0.470 -8.180 1.00 0.84 H new ATOM 0 HA ALA A 60 -16.939 0.262 -10.349 1.00 0.92 H new ATOM 0 HB1 ALA A 60 -17.003 2.393 -9.100 1.00 0.91 H new ATOM 0 HB2 ALA A 60 -17.411 1.022 -8.042 1.00 0.91 H new ATOM 0 HB3 ALA A 60 -15.795 1.762 -7.956 1.00 0.91 H new ATOM 820 N PRO A 61 -15.385 1.533 -11.803 1.00 1.04 N ATOM 821 CA PRO A 61 -14.452 2.129 -12.782 1.00 1.08 C ATOM 822 C PRO A 61 -13.916 3.502 -12.353 1.00 1.06 C ATOM 823 O PRO A 61 -12.706 3.716 -12.350 1.00 1.05 O ATOM 824 CB PRO A 61 -15.256 2.213 -14.079 1.00 1.20 C ATOM 825 CG PRO A 61 -16.697 2.378 -13.596 1.00 1.24 C ATOM 826 CD PRO A 61 -16.752 1.483 -12.359 1.00 1.13 C ATOM 0 HA PRO A 61 -13.553 1.522 -12.886 1.00 1.08 H new ATOM 0 HB2 PRO A 61 -14.940 3.056 -14.693 1.00 1.20 H new ATOM 0 HB3 PRO A 61 -15.136 1.315 -14.684 1.00 1.20 H new ATOM 0 HG2 PRO A 61 -16.924 3.416 -13.353 1.00 1.24 H new ATOM 0 HG3 PRO A 61 -17.415 2.063 -14.354 1.00 1.24 H new ATOM 0 HD2 PRO A 61 -17.486 1.846 -11.640 1.00 1.13 H new ATOM 0 HD3 PRO A 61 -17.037 0.464 -12.619 1.00 1.13 H new ATOM 834 N PHE A 62 -14.802 4.339 -11.805 1.00 1.08 N ATOM 835 CA PHE A 62 -14.428 5.670 -11.282 1.00 1.08 C ATOM 836 C PHE A 62 -13.406 5.570 -10.147 1.00 0.97 C ATOM 837 O PHE A 62 -12.571 6.450 -9.959 1.00 0.97 O ATOM 838 CB PHE A 62 -15.658 6.447 -10.797 1.00 1.15 C ATOM 839 CG PHE A 62 -16.361 5.788 -9.607 1.00 1.13 C ATOM 840 CD1 PHE A 62 -15.962 6.090 -8.312 1.00 1.08 C ATOM 841 CD2 PHE A 62 -17.416 4.915 -9.832 1.00 1.18 C ATOM 842 CE1 PHE A 62 -16.621 5.518 -7.235 1.00 1.10 C ATOM 843 CE2 PHE A 62 -18.086 4.357 -8.753 1.00 1.19 C ATOM 844 CZ PHE A 62 -17.682 4.651 -7.459 1.00 1.15 C ATOM 0 H PHE A 62 -15.794 4.121 -11.709 1.00 1.08 H new ATOM 0 HA PHE A 62 -13.972 6.211 -12.111 1.00 1.08 H new ATOM 0 HB2 PHE A 62 -15.355 7.456 -10.518 1.00 1.15 H new ATOM 0 HB3 PHE A 62 -16.366 6.544 -11.620 1.00 1.15 H new ATOM 0 HD1 PHE A 62 -15.140 6.769 -8.144 1.00 1.08 H new ATOM 0 HD2 PHE A 62 -17.714 4.671 -10.841 1.00 1.18 H new ATOM 0 HE1 PHE A 62 -16.310 5.746 -6.226 1.00 1.10 H new ATOM 0 HE2 PHE A 62 -18.922 3.694 -8.920 1.00 1.19 H new ATOM 0 HZ PHE A 62 -18.196 4.203 -6.621 1.00 1.15 H new ATOM 854 N LEU A 63 -13.442 4.443 -9.455 1.00 0.89 N ATOM 855 CA LEU A 63 -12.532 4.179 -8.361 1.00 0.79 C ATOM 856 C LEU A 63 -11.121 3.922 -8.884 1.00 0.80 C ATOM 857 O LEU A 63 -10.141 4.302 -8.252 1.00 0.80 O ATOM 858 CB LEU A 63 -13.025 2.974 -7.586 1.00 0.72 C ATOM 859 CG LEU A 63 -12.720 2.997 -6.104 1.00 0.64 C ATOM 860 CD1 LEU A 63 -14.024 2.995 -5.319 1.00 0.60 C ATOM 861 CD2 LEU A 63 -11.833 1.812 -5.747 1.00 0.63 C ATOM 0 H LEU A 63 -14.103 3.688 -9.638 1.00 0.89 H new ATOM 0 HA LEU A 63 -12.499 5.050 -7.707 1.00 0.79 H new ATOM 0 HB2 LEU A 63 -14.104 2.893 -7.718 1.00 0.72 H new ATOM 0 HB3 LEU A 63 -12.582 2.077 -8.019 1.00 0.72 H new ATOM 0 HG LEU A 63 -12.177 3.905 -5.842 1.00 0.64 H new ATOM 0 HD11 LEU A 63 -13.806 3.012 -4.251 1.00 0.60 H new ATOM 0 HD12 LEU A 63 -14.609 3.876 -5.584 1.00 0.60 H new ATOM 0 HD13 LEU A 63 -14.592 2.096 -5.559 1.00 0.60 H new ATOM 0 HD21 LEU A 63 -11.614 1.830 -4.679 1.00 0.63 H new ATOM 0 HD22 LEU A 63 -12.348 0.884 -5.996 1.00 0.63 H new ATOM 0 HD23 LEU A 63 -10.901 1.873 -6.309 1.00 0.63 H new ATOM 873 N LYS A 64 -11.035 3.280 -10.051 1.00 0.85 N ATOM 874 CA LYS A 64 -9.753 2.964 -10.679 1.00 0.90 C ATOM 875 C LYS A 64 -9.114 4.225 -11.270 1.00 0.94 C ATOM 876 O LYS A 64 -7.913 4.274 -11.505 1.00 0.99 O ATOM 877 CB LYS A 64 -9.955 1.908 -11.767 1.00 1.00 C ATOM 878 CG LYS A 64 -8.691 1.142 -12.126 1.00 1.10 C ATOM 879 CD LYS A 64 -8.989 -0.322 -12.420 1.00 1.26 C ATOM 880 CE LYS A 64 -9.916 -0.483 -13.615 1.00 1.46 C ATOM 881 NZ LYS A 64 -10.332 -1.901 -13.808 1.00 1.71 N ATOM 0 H LYS A 64 -11.847 2.967 -10.583 1.00 0.85 H new ATOM 0 HA LYS A 64 -9.079 2.567 -9.919 1.00 0.90 H new ATOM 0 HB2 LYS A 64 -10.715 1.200 -11.436 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -10.341 2.394 -12.663 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -8.222 1.601 -12.996 1.00 1.10 H new ATOM 0 HG3 LYS A 64 -7.977 1.211 -11.305 1.00 1.10 H new ATOM 0 HD2 LYS A 64 -8.055 -0.851 -12.611 1.00 1.26 H new ATOM 0 HD3 LYS A 64 -9.443 -0.783 -11.543 1.00 1.26 H new ATOM 0 HE2 LYS A 64 -10.800 0.139 -13.475 1.00 1.46 H new ATOM 0 HE3 LYS A 64 -9.414 -0.126 -14.514 1.00 1.46 H new ATOM 0 HZ1 LYS A 64 -10.963 -1.969 -14.632 1.00 1.71 H new ATOM 0 HZ2 LYS A 64 -9.490 -2.491 -13.967 1.00 1.71 H new ATOM 0 HZ3 LYS A 64 -10.833 -2.234 -12.960 1.00 1.71 H new ATOM 895 N LYS A 65 -9.949 5.229 -11.499 1.00 0.94 N ATOM 896 CA LYS A 65 -9.533 6.533 -12.047 1.00 0.99 C ATOM 897 C LYS A 65 -8.861 7.433 -11.008 1.00 0.96 C ATOM 898 O LYS A 65 -7.685 7.769 -11.143 1.00 1.01 O ATOM 899 CB LYS A 65 -10.746 7.250 -12.624 1.00 1.02 C ATOM 900 CG LYS A 65 -11.326 6.497 -13.822 1.00 1.09 C ATOM 901 CD LYS A 65 -12.470 7.285 -14.463 1.00 1.15 C ATOM 902 CE LYS A 65 -12.003 8.609 -15.087 1.00 1.21 C ATOM 903 NZ LYS A 65 -11.048 8.385 -16.183 1.00 1.29 N ATOM 0 H LYS A 65 -10.950 5.170 -11.310 1.00 0.94 H new ATOM 0 HA LYS A 65 -8.794 6.331 -12.823 1.00 0.99 H new ATOM 0 HB2 LYS A 65 -11.510 7.353 -11.853 1.00 1.02 H new ATOM 0 HB3 LYS A 65 -10.463 8.258 -12.929 1.00 1.02 H new ATOM 0 HG2 LYS A 65 -10.543 6.321 -14.559 1.00 1.09 H new ATOM 0 HG3 LYS A 65 -11.687 5.520 -13.502 1.00 1.09 H new ATOM 0 HD2 LYS A 65 -12.941 6.672 -15.232 1.00 1.15 H new ATOM 0 HD3 LYS A 65 -13.230 7.492 -13.709 1.00 1.15 H new ATOM 0 HE2 LYS A 65 -12.866 9.159 -15.463 1.00 1.21 H new ATOM 0 HE3 LYS A 65 -11.539 9.229 -14.320 1.00 1.21 H new ATOM 0 HZ1 LYS A 65 -10.897 9.275 -16.700 1.00 1.29 H new ATOM 0 HZ2 LYS A 65 -10.143 8.054 -15.792 1.00 1.29 H new ATOM 0 HZ3 LYS A 65 -11.428 7.667 -16.833 1.00 1.29 H new ATOM 917 N VAL A 66 -9.561 7.678 -9.902 1.00 0.90 N ATOM 918 CA VAL A 66 -9.016 8.486 -8.818 1.00 0.88 C ATOM 919 C VAL A 66 -7.762 7.833 -8.212 1.00 0.88 C ATOM 920 O VAL A 66 -6.878 8.534 -7.727 1.00 0.91 O ATOM 921 CB VAL A 66 -10.060 8.749 -7.710 1.00 0.85 C ATOM 922 CG1 VAL A 66 -11.302 9.393 -8.300 1.00 0.87 C ATOM 923 CG2 VAL A 66 -10.421 7.469 -6.967 1.00 0.85 C ATOM 0 H VAL A 66 -10.505 7.328 -9.735 1.00 0.90 H new ATOM 0 HA VAL A 66 -8.738 9.445 -9.254 1.00 0.88 H new ATOM 0 HB VAL A 66 -9.617 9.434 -6.988 1.00 0.85 H new ATOM 0 HG11 VAL A 66 -12.030 9.573 -7.509 1.00 0.87 H new ATOM 0 HG12 VAL A 66 -11.033 10.340 -8.768 1.00 0.87 H new ATOM 0 HG13 VAL A 66 -11.736 8.729 -9.048 1.00 0.87 H new ATOM 0 HG21 VAL A 66 -11.158 7.692 -6.195 1.00 0.85 H new ATOM 0 HG22 VAL A 66 -10.838 6.746 -7.668 1.00 0.85 H new ATOM 0 HG23 VAL A 66 -9.526 7.052 -6.505 1.00 0.85 H new ATOM 933 N ILE A 67 -7.678 6.491 -8.247 1.00 0.88 N ATOM 934 CA ILE A 67 -6.499 5.798 -7.717 1.00 0.91 C ATOM 935 C ILE A 67 -5.405 5.728 -8.777 1.00 0.98 C ATOM 936 O ILE A 67 -4.237 5.513 -8.462 1.00 1.05 O ATOM 937 CB ILE A 67 -6.790 4.373 -7.177 1.00 0.92 C ATOM 938 CG1 ILE A 67 -7.173 3.414 -8.308 1.00 0.93 C ATOM 939 CG2 ILE A 67 -7.875 4.416 -6.108 1.00 0.89 C ATOM 940 CD1 ILE A 67 -7.243 1.964 -7.876 1.00 1.00 C ATOM 0 H ILE A 67 -8.399 5.879 -8.629 1.00 0.88 H new ATOM 0 HA ILE A 67 -6.169 6.391 -6.864 1.00 0.91 H new ATOM 0 HB ILE A 67 -5.875 3.994 -6.722 1.00 0.92 H new ATOM 0 HG12 ILE A 67 -8.141 3.711 -8.713 1.00 0.93 H new ATOM 0 HG13 ILE A 67 -6.447 3.509 -9.115 1.00 0.93 H new ATOM 0 HG21 ILE A 67 -8.065 3.407 -5.742 1.00 0.89 H new ATOM 0 HG22 ILE A 67 -7.547 5.046 -5.282 1.00 0.89 H new ATOM 0 HG23 ILE A 67 -8.791 4.825 -6.535 1.00 0.89 H new ATOM 0 HD11 ILE A 67 -7.520 1.343 -8.728 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -6.270 1.649 -7.499 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -7.990 1.854 -7.090 1.00 1.00 H new ATOM 952 N GLN A 68 -5.791 5.877 -10.042 1.00 0.99 N ATOM 953 CA GLN A 68 -4.805 5.903 -11.135 1.00 1.08 C ATOM 954 C GLN A 68 -4.076 7.256 -11.170 1.00 1.06 C ATOM 955 O GLN A 68 -2.851 7.306 -11.266 1.00 1.09 O ATOM 956 CB GLN A 68 -5.503 5.655 -12.464 1.00 1.16 C ATOM 957 CG GLN A 68 -4.488 5.485 -13.586 1.00 1.27 C ATOM 958 CD GLN A 68 -5.196 5.208 -14.905 1.00 1.37 C ATOM 959 OE1 GLN A 68 -6.064 5.929 -15.370 1.00 1.41 O ATOM 960 NE2 GLN A 68 -4.770 4.138 -15.536 1.00 1.52 N ATOM 0 H GLN A 68 -6.761 5.980 -10.339 1.00 0.99 H new ATOM 0 HA GLN A 68 -4.070 5.117 -10.962 1.00 1.08 H new ATOM 0 HB2 GLN A 68 -6.125 4.763 -12.392 1.00 1.16 H new ATOM 0 HB3 GLN A 68 -6.167 6.489 -12.692 1.00 1.16 H new ATOM 0 HG2 GLN A 68 -3.880 6.385 -13.674 1.00 1.27 H new ATOM 0 HG3 GLN A 68 -3.810 4.665 -13.351 1.00 1.27 H new ATOM 0 HE21 GLN A 68 -4.043 3.556 -15.120 1.00 1.52 H new ATOM 0 HE22 GLN A 68 -5.166 3.889 -16.442 1.00 1.52 H new ATOM 969 N LYS A 69 -4.848 8.334 -11.007 1.00 1.05 N ATOM 970 CA LYS A 69 -4.322 9.700 -11.023 1.00 1.06 C ATOM 971 C LYS A 69 -3.261 9.945 -9.945 1.00 1.08 C ATOM 972 O LYS A 69 -2.339 10.731 -10.156 1.00 1.15 O ATOM 973 CB LYS A 69 -5.469 10.697 -10.840 1.00 1.03 C ATOM 974 CG LYS A 69 -6.124 11.121 -12.144 1.00 1.10 C ATOM 975 CD LYS A 69 -5.248 12.100 -12.910 1.00 1.19 C ATOM 976 CE LYS A 69 -5.875 12.489 -14.239 1.00 1.38 C ATOM 977 NZ LYS A 69 -5.054 13.498 -14.965 1.00 1.58 N ATOM 0 H LYS A 69 -5.856 8.283 -10.860 1.00 1.05 H new ATOM 0 HA LYS A 69 -3.839 9.841 -11.990 1.00 1.06 H new ATOM 0 HB2 LYS A 69 -6.225 10.253 -10.192 1.00 1.03 H new ATOM 0 HB3 LYS A 69 -5.091 11.582 -10.329 1.00 1.03 H new ATOM 0 HG2 LYS A 69 -6.315 10.242 -12.760 1.00 1.10 H new ATOM 0 HG3 LYS A 69 -7.090 11.581 -11.935 1.00 1.10 H new ATOM 0 HD2 LYS A 69 -5.087 12.994 -12.307 1.00 1.19 H new ATOM 0 HD3 LYS A 69 -4.269 11.653 -13.085 1.00 1.19 H new ATOM 0 HE2 LYS A 69 -5.991 11.601 -14.860 1.00 1.38 H new ATOM 0 HE3 LYS A 69 -6.874 12.890 -14.066 1.00 1.38 H new ATOM 0 HZ1 LYS A 69 -5.515 13.737 -15.866 1.00 1.58 H new ATOM 0 HZ2 LYS A 69 -4.964 14.356 -14.384 1.00 1.58 H new ATOM 0 HZ3 LYS A 69 -4.109 13.106 -15.153 1.00 1.58 H new ATOM 991 N ILE A 70 -3.389 9.282 -8.796 1.00 1.07 N ATOM 992 CA ILE A 70 -2.423 9.463 -7.709 1.00 1.12 C ATOM 993 C ILE A 70 -1.141 8.663 -7.950 1.00 1.25 C ATOM 994 O ILE A 70 -0.131 8.879 -7.282 1.00 1.37 O ATOM 995 CB ILE A 70 -3.014 9.089 -6.332 1.00 1.09 C ATOM 996 CG1 ILE A 70 -3.557 7.658 -6.344 1.00 1.09 C ATOM 997 CG2 ILE A 70 -4.105 10.076 -5.943 1.00 1.14 C ATOM 998 CD1 ILE A 70 -4.231 7.249 -5.051 1.00 1.19 C ATOM 0 H ILE A 70 -4.141 8.623 -8.593 1.00 1.07 H new ATOM 0 HA ILE A 70 -2.179 10.525 -7.700 1.00 1.12 H new ATOM 0 HB ILE A 70 -2.218 9.140 -5.589 1.00 1.09 H new ATOM 0 HG12 ILE A 70 -4.270 7.557 -7.162 1.00 1.09 H new ATOM 0 HG13 ILE A 70 -2.737 6.970 -6.549 1.00 1.09 H new ATOM 0 HG21 ILE A 70 -4.514 9.802 -4.971 1.00 1.14 H new ATOM 0 HG22 ILE A 70 -3.685 11.080 -5.890 1.00 1.14 H new ATOM 0 HG23 ILE A 70 -4.899 10.054 -6.690 1.00 1.14 H new ATOM 0 HD11 ILE A 70 -4.590 6.223 -5.136 1.00 1.19 H new ATOM 0 HD12 ILE A 70 -3.516 7.317 -4.231 1.00 1.19 H new ATOM 0 HD13 ILE A 70 -5.073 7.912 -4.854 1.00 1.19 H new ATOM 1122 N LEU B 8 7.630 20.065 16.076 1.00 0.80 N ATOM 1123 CA LEU B 8 8.149 20.645 14.818 1.00 0.77 C ATOM 1124 C LEU B 8 9.626 21.061 14.993 1.00 0.77 C ATOM 1125 O LEU B 8 9.961 22.175 15.387 1.00 0.79 O ATOM 1126 CB LEU B 8 7.255 21.825 14.396 1.00 0.78 C ATOM 1127 CG LEU B 8 7.561 22.439 13.015 1.00 0.76 C ATOM 1128 CD1 LEU B 8 6.311 23.146 12.499 1.00 0.77 C ATOM 1129 CD2 LEU B 8 8.671 23.496 13.050 1.00 0.77 C ATOM 0 HA LEU B 8 8.120 19.901 14.022 1.00 0.77 H new ATOM 0 HB2 LEU B 8 6.218 21.491 14.402 1.00 0.78 H new ATOM 0 HB3 LEU B 8 7.342 22.609 15.148 1.00 0.78 H new ATOM 0 HG LEU B 8 7.882 21.613 12.380 1.00 0.76 H new ATOM 0 HD11 LEU B 8 6.518 23.584 11.522 1.00 0.77 H new ATOM 0 HD12 LEU B 8 5.497 22.427 12.409 1.00 0.77 H new ATOM 0 HD13 LEU B 8 6.024 23.933 13.196 1.00 0.77 H new ATOM 0 HD21 LEU B 8 8.834 23.886 12.045 1.00 0.77 H new ATOM 0 HD22 LEU B 8 8.377 24.311 13.712 1.00 0.77 H new ATOM 0 HD23 LEU B 8 9.592 23.044 13.418 1.00 0.77 H new ATOM 1141 N ARG B 9 10.471 20.045 14.917 1.00 0.75 N ATOM 1142 CA ARG B 9 11.925 20.237 15.064 1.00 0.75 C ATOM 1143 C ARG B 9 12.696 19.531 13.948 1.00 0.72 C ATOM 1144 O ARG B 9 13.317 20.175 13.109 1.00 0.71 O ATOM 1145 CB ARG B 9 12.413 19.856 16.473 1.00 0.79 C ATOM 1146 CG ARG B 9 12.104 18.411 16.879 1.00 0.79 C ATOM 1147 CD ARG B 9 12.791 18.029 18.186 1.00 0.82 C ATOM 1148 NE ARG B 9 12.532 16.608 18.477 1.00 0.82 N ATOM 1149 CZ ARG B 9 11.396 16.079 18.935 1.00 0.83 C ATOM 1150 NH1 ARG B 9 10.323 16.825 19.179 1.00 0.85 N ATOM 1151 NH2 ARG B 9 11.332 14.780 19.199 1.00 0.84 N ATOM 0 H ARG B 9 10.187 19.079 14.755 1.00 0.75 H new ATOM 0 HA ARG B 9 12.134 21.301 14.955 1.00 0.75 H new ATOM 0 HB2 ARG B 9 13.490 20.013 16.526 1.00 0.79 H new ATOM 0 HB3 ARG B 9 11.956 20.530 17.198 1.00 0.79 H new ATOM 0 HG2 ARG B 9 11.026 18.286 16.985 1.00 0.79 H new ATOM 0 HG3 ARG B 9 12.427 17.734 16.088 1.00 0.79 H new ATOM 0 HD2 ARG B 9 13.864 18.207 18.111 1.00 0.82 H new ATOM 0 HD3 ARG B 9 12.421 18.652 19.000 1.00 0.82 H new ATOM 0 HE ARG B 9 13.302 15.960 18.311 1.00 0.82 H new ATOM 0 HH11 ARG B 9 10.354 17.831 19.016 1.00 0.85 H new ATOM 0 HH12 ARG B 9 9.469 16.391 19.529 1.00 0.85 H new ATOM 0 HH21 ARG B 9 12.150 14.189 19.052 1.00 0.84 H new ATOM 0 HH22 ARG B 9 10.465 14.373 19.549 1.00 0.84 H new ATOM 1165 N GLU B 10 12.601 18.199 13.936 1.00 0.71 N ATOM 1166 CA GLU B 10 13.368 17.331 13.036 1.00 0.68 C ATOM 1167 C GLU B 10 12.610 16.031 12.771 1.00 0.66 C ATOM 1168 O GLU B 10 12.266 15.294 13.698 1.00 0.68 O ATOM 1169 CB GLU B 10 14.722 16.982 13.666 1.00 0.70 C ATOM 1170 CG GLU B 10 15.629 18.208 13.833 1.00 0.72 C ATOM 1171 CD GLU B 10 17.008 17.875 14.403 1.00 0.75 C ATOM 1172 OE1 GLU B 10 17.466 16.731 14.184 1.00 0.74 O ATOM 1173 OE2 GLU B 10 17.585 18.786 15.033 1.00 0.77 O ATOM 0 H GLU B 10 11.980 17.685 14.560 1.00 0.71 H new ATOM 0 HA GLU B 10 13.518 17.867 12.099 1.00 0.68 H new ATOM 0 HB2 GLU B 10 14.557 16.521 14.640 1.00 0.70 H new ATOM 0 HB3 GLU B 10 15.228 16.243 13.045 1.00 0.70 H new ATOM 0 HG2 GLU B 10 15.753 18.693 12.865 1.00 0.72 H new ATOM 0 HG3 GLU B 10 15.138 18.927 14.489 1.00 0.72 H new ATOM 1180 N LEU B 11 12.234 15.877 11.513 1.00 0.63 N ATOM 1181 CA LEU B 11 11.510 14.686 11.039 1.00 0.61 C ATOM 1182 C LEU B 11 12.241 14.065 9.848 1.00 0.58 C ATOM 1183 O LEU B 11 12.744 14.769 8.970 1.00 0.57 O ATOM 1184 CB LEU B 11 10.090 15.083 10.638 1.00 0.60 C ATOM 1185 CG LEU B 11 9.294 15.597 11.835 1.00 0.64 C ATOM 1186 CD1 LEU B 11 8.729 16.984 11.531 1.00 0.65 C ATOM 1187 CD2 LEU B 11 8.181 14.613 12.197 1.00 0.64 C ATOM 0 H LEU B 11 12.417 16.567 10.784 1.00 0.63 H new ATOM 0 HA LEU B 11 11.465 13.948 11.840 1.00 0.61 H new ATOM 0 HB2 LEU B 11 10.130 15.854 9.868 1.00 0.60 H new ATOM 0 HB3 LEU B 11 9.580 14.224 10.202 1.00 0.60 H new ATOM 0 HG LEU B 11 9.958 15.681 12.695 1.00 0.64 H new ATOM 0 HD11 LEU B 11 8.163 17.343 12.391 1.00 0.65 H new ATOM 0 HD12 LEU B 11 9.548 17.673 11.323 1.00 0.65 H new ATOM 0 HD13 LEU B 11 8.073 16.927 10.662 1.00 0.65 H new ATOM 0 HD21 LEU B 11 7.623 14.994 13.052 1.00 0.64 H new ATOM 0 HD22 LEU B 11 7.508 14.496 11.347 1.00 0.64 H new ATOM 0 HD23 LEU B 11 8.618 13.647 12.450 1.00 0.64 H new ATOM 1199 N ARG B 12 12.260 12.745 9.859 1.00 0.57 N ATOM 1200 CA ARG B 12 12.985 11.953 8.848 1.00 0.55 C ATOM 1201 C ARG B 12 11.964 11.331 7.901 1.00 0.52 C ATOM 1202 O ARG B 12 10.860 10.972 8.317 1.00 0.52 O ATOM 1203 CB ARG B 12 13.783 10.833 9.540 1.00 0.57 C ATOM 1204 CG ARG B 12 14.556 11.268 10.795 1.00 0.60 C ATOM 1205 CD ARG B 12 15.411 12.504 10.518 1.00 0.61 C ATOM 1206 NE ARG B 12 16.255 12.843 11.665 1.00 0.65 N ATOM 1207 CZ ARG B 12 17.565 12.649 11.631 1.00 0.67 C ATOM 1208 NH1 ARG B 12 18.074 11.450 11.875 1.00 0.68 N ATOM 1209 NH2 ARG B 12 18.369 13.680 11.447 1.00 0.68 N ATOM 0 H ARG B 12 11.780 12.181 10.560 1.00 0.57 H new ATOM 0 HA ARG B 12 13.673 12.594 8.297 1.00 0.55 H new ATOM 0 HB2 ARG B 12 13.095 10.033 9.814 1.00 0.57 H new ATOM 0 HB3 ARG B 12 14.489 10.414 8.823 1.00 0.57 H new ATOM 0 HG2 ARG B 12 13.854 11.481 11.601 1.00 0.60 H new ATOM 0 HG3 ARG B 12 15.193 10.451 11.134 1.00 0.60 H new ATOM 0 HD2 ARG B 12 16.038 12.325 9.644 1.00 0.61 H new ATOM 0 HD3 ARG B 12 14.764 13.348 10.279 1.00 0.61 H new ATOM 0 HE ARG B 12 15.827 13.235 12.504 1.00 0.65 H new ATOM 0 HH11 ARG B 12 17.456 10.668 12.091 1.00 0.68 H new ATOM 0 HH12 ARG B 12 19.084 11.309 11.847 1.00 0.68 H new ATOM 0 HH21 ARG B 12 17.980 14.616 11.333 1.00 0.68 H new ATOM 0 HH22 ARG B 12 19.379 13.541 11.419 1.00 0.68 H new ATOM 1223 N CYS B 13 12.347 11.195 6.634 1.00 0.50 N ATOM 1224 CA CYS B 13 11.523 10.474 5.648 1.00 0.48 C ATOM 1225 C CYS B 13 11.213 9.059 6.161 1.00 0.48 C ATOM 1226 O CYS B 13 11.991 8.480 6.923 1.00 0.49 O ATOM 1227 CB CYS B 13 12.280 10.386 4.323 1.00 0.47 C ATOM 1228 SG CYS B 13 12.305 11.941 3.360 1.00 0.48 S ATOM 0 H CYS B 13 13.218 11.571 6.260 1.00 0.50 H new ATOM 0 HA CYS B 13 10.586 11.011 5.498 1.00 0.48 H new ATOM 0 HB2 CYS B 13 13.307 10.082 4.525 1.00 0.47 H new ATOM 0 HB3 CYS B 13 11.830 9.603 3.713 1.00 0.47 H new ATOM 1233 N VAL B 14 10.068 8.524 5.739 1.00 0.46 N ATOM 1234 CA VAL B 14 9.668 7.145 6.117 1.00 0.46 C ATOM 1235 C VAL B 14 10.701 6.102 5.631 1.00 0.46 C ATOM 1236 O VAL B 14 10.899 5.058 6.241 1.00 0.47 O ATOM 1237 CB VAL B 14 8.219 6.835 5.671 1.00 0.45 C ATOM 1238 CG1 VAL B 14 7.990 6.802 4.157 1.00 0.43 C ATOM 1239 CG2 VAL B 14 7.709 5.521 6.270 1.00 0.46 C ATOM 0 H VAL B 14 9.399 9.009 5.141 1.00 0.46 H new ATOM 0 HA VAL B 14 9.667 7.077 7.205 1.00 0.46 H new ATOM 0 HB VAL B 14 7.653 7.683 6.057 1.00 0.45 H new ATOM 0 HG11 VAL B 14 6.943 6.577 3.952 1.00 0.43 H new ATOM 0 HG12 VAL B 14 8.243 7.772 3.730 1.00 0.43 H new ATOM 0 HG13 VAL B 14 8.621 6.033 3.710 1.00 0.43 H new ATOM 0 HG21 VAL B 14 6.688 5.339 5.933 1.00 0.46 H new ATOM 0 HG22 VAL B 14 8.350 4.701 5.946 1.00 0.46 H new ATOM 0 HG23 VAL B 14 7.725 5.586 7.358 1.00 0.46 H new ATOM 1249 N CYS B 15 11.331 6.431 4.507 1.00 0.45 N ATOM 1250 CA CYS B 15 12.367 5.617 3.859 1.00 0.45 C ATOM 1251 C CYS B 15 13.695 6.366 3.777 1.00 0.47 C ATOM 1252 O CYS B 15 13.832 7.324 3.015 1.00 0.47 O ATOM 1253 CB CYS B 15 11.942 5.270 2.436 1.00 0.43 C ATOM 1254 SG CYS B 15 10.630 4.016 2.380 1.00 0.42 S ATOM 0 H CYS B 15 11.132 7.296 4.003 1.00 0.45 H new ATOM 0 HA CYS B 15 12.493 4.716 4.460 1.00 0.45 H new ATOM 0 HB2 CYS B 15 11.596 6.174 1.934 1.00 0.43 H new ATOM 0 HB3 CYS B 15 12.808 4.909 1.881 1.00 0.43 H new ATOM 1259 N LEU B 16 14.608 5.971 4.653 1.00 0.49 N ATOM 1260 CA LEU B 16 15.980 6.519 4.641 1.00 0.52 C ATOM 1261 C LEU B 16 16.905 5.843 3.618 1.00 0.54 C ATOM 1262 O LEU B 16 17.769 6.489 3.017 1.00 0.55 O ATOM 1263 CB LEU B 16 16.590 6.473 6.044 1.00 0.55 C ATOM 1264 CG LEU B 16 15.863 7.392 7.037 1.00 0.55 C ATOM 1265 CD1 LEU B 16 16.482 7.234 8.427 1.00 0.58 C ATOM 1266 CD2 LEU B 16 15.918 8.864 6.607 1.00 0.54 C ATOM 0 H LEU B 16 14.437 5.278 5.381 1.00 0.49 H new ATOM 0 HA LEU B 16 15.891 7.557 4.322 1.00 0.52 H new ATOM 0 HB2 LEU B 16 16.561 5.449 6.415 1.00 0.55 H new ATOM 0 HB3 LEU B 16 17.640 6.762 5.989 1.00 0.55 H new ATOM 0 HG LEU B 16 14.814 7.096 7.058 1.00 0.55 H new ATOM 0 HD11 LEU B 16 15.966 7.886 9.131 1.00 0.58 H new ATOM 0 HD12 LEU B 16 16.385 6.198 8.753 1.00 0.58 H new ATOM 0 HD13 LEU B 16 17.537 7.504 8.388 1.00 0.58 H new ATOM 0 HD21 LEU B 16 15.391 9.477 7.339 1.00 0.54 H new ATOM 0 HD22 LEU B 16 16.957 9.186 6.545 1.00 0.54 H new ATOM 0 HD23 LEU B 16 15.444 8.976 5.632 1.00 0.54 H new ATOM 1278 N GLN B 17 16.685 4.562 3.408 1.00 0.53 N ATOM 1279 CA GLN B 17 17.460 3.717 2.493 1.00 0.55 C ATOM 1280 C GLN B 17 16.590 3.301 1.295 1.00 0.53 C ATOM 1281 O GLN B 17 15.411 3.640 1.198 1.00 0.50 O ATOM 1282 CB GLN B 17 18.023 2.490 3.239 1.00 0.58 C ATOM 1283 CG GLN B 17 16.990 1.440 3.683 1.00 0.56 C ATOM 1284 CD GLN B 17 16.059 1.874 4.823 1.00 0.55 C ATOM 1285 OE1 GLN B 17 16.152 2.910 5.460 1.00 0.55 O ATOM 1286 NE2 GLN B 17 15.106 1.032 5.133 1.00 0.54 N ATOM 0 H GLN B 17 15.938 4.053 3.881 1.00 0.53 H new ATOM 0 HA GLN B 17 18.307 4.287 2.111 1.00 0.55 H new ATOM 0 HB2 GLN B 17 18.754 2.002 2.595 1.00 0.58 H new ATOM 0 HB3 GLN B 17 18.559 2.840 4.121 1.00 0.58 H new ATOM 0 HG2 GLN B 17 16.380 1.168 2.822 1.00 0.56 H new ATOM 0 HG3 GLN B 17 17.522 0.540 3.993 1.00 0.56 H new ATOM 0 HE21 GLN B 17 15.008 0.159 4.615 1.00 0.54 H new ATOM 0 HE22 GLN B 17 14.461 1.249 5.893 1.00 0.54 H new ATOM 1295 N THR B 18 17.210 2.514 0.432 1.00 0.55 N ATOM 1296 CA THR B 18 16.565 1.969 -0.774 1.00 0.54 C ATOM 1297 C THR B 18 16.749 0.443 -0.868 1.00 0.55 C ATOM 1298 O THR B 18 17.315 -0.194 0.024 1.00 0.57 O ATOM 1299 CB THR B 18 17.119 2.727 -1.990 1.00 0.56 C ATOM 1300 OG1 THR B 18 16.396 2.319 -3.146 1.00 0.55 O ATOM 1301 CG2 THR B 18 18.627 2.535 -2.211 1.00 0.60 C ATOM 0 H THR B 18 18.183 2.227 0.540 1.00 0.55 H new ATOM 0 HA THR B 18 15.486 2.119 -0.735 1.00 0.54 H new ATOM 0 HB THR B 18 16.986 3.791 -1.796 1.00 0.56 H new ATOM 0 HG1 THR B 18 17.026 2.074 -3.856 1.00 0.55 H new ATOM 0 HG21 THR B 18 18.941 3.101 -3.088 1.00 0.60 H new ATOM 0 HG22 THR B 18 19.171 2.890 -1.336 1.00 0.60 H new ATOM 0 HG23 THR B 18 18.840 1.477 -2.367 1.00 0.60 H new ATOM 1309 N THR B 19 16.353 -0.116 -2.005 1.00 0.55 N ATOM 1310 CA THR B 19 16.427 -1.550 -2.331 1.00 0.57 C ATOM 1311 C THR B 19 16.413 -1.748 -3.856 1.00 0.58 C ATOM 1312 O THR B 19 15.866 -0.939 -4.616 1.00 0.57 O ATOM 1313 CB THR B 19 15.255 -2.300 -1.664 1.00 0.54 C ATOM 1314 OG1 THR B 19 15.300 -2.105 -0.246 1.00 0.54 O ATOM 1315 CG2 THR B 19 15.258 -3.808 -1.922 1.00 0.56 C ATOM 0 H THR B 19 15.953 0.435 -2.764 1.00 0.55 H new ATOM 0 HA THR B 19 17.361 -1.959 -1.946 1.00 0.57 H new ATOM 0 HB THR B 19 14.350 -1.885 -2.108 1.00 0.54 H new ATOM 0 HG1 THR B 19 14.773 -1.314 -0.008 1.00 0.54 H new ATOM 0 HG21 THR B 19 14.404 -4.265 -1.421 1.00 0.56 H new ATOM 0 HG22 THR B 19 15.192 -3.994 -2.994 1.00 0.56 H new ATOM 0 HG23 THR B 19 16.180 -4.241 -1.535 1.00 0.56 H new ATOM 1323 N GLN B 20 17.031 -2.847 -4.257 1.00 0.61 N ATOM 1324 CA GLN B 20 17.121 -3.318 -5.641 1.00 0.64 C ATOM 1325 C GLN B 20 16.680 -4.779 -5.785 1.00 0.64 C ATOM 1326 O GLN B 20 17.463 -5.715 -5.951 1.00 0.68 O ATOM 1327 CB GLN B 20 18.525 -3.067 -6.228 1.00 0.68 C ATOM 1328 CG GLN B 20 19.702 -3.825 -5.601 1.00 0.72 C ATOM 1329 CD GLN B 20 20.011 -3.475 -4.143 1.00 0.70 C ATOM 1330 OE1 GLN B 20 19.598 -2.495 -3.542 1.00 0.68 O ATOM 1331 NE2 GLN B 20 20.836 -4.289 -3.538 1.00 0.73 N ATOM 0 H GLN B 20 17.507 -3.467 -3.602 1.00 0.61 H new ATOM 0 HA GLN B 20 16.417 -2.730 -6.231 1.00 0.64 H new ATOM 0 HB2 GLN B 20 18.494 -3.313 -7.290 1.00 0.68 H new ATOM 0 HB3 GLN B 20 18.735 -2.000 -6.154 1.00 0.68 H new ATOM 0 HG2 GLN B 20 19.498 -4.894 -5.664 1.00 0.72 H new ATOM 0 HG3 GLN B 20 20.593 -3.635 -6.199 1.00 0.72 H new ATOM 0 HE21 GLN B 20 21.190 -5.112 -4.026 1.00 0.73 H new ATOM 0 HE22 GLN B 20 21.126 -4.101 -2.578 1.00 0.73 H new ATOM 1340 N GLY B 21 15.362 -4.945 -5.656 1.00 0.61 N ATOM 1341 CA GLY B 21 14.773 -6.260 -5.887 1.00 0.61 C ATOM 1342 C GLY B 21 14.509 -6.490 -7.390 1.00 0.63 C ATOM 1343 O GLY B 21 14.687 -5.562 -8.172 1.00 0.64 O ATOM 0 H GLY B 21 14.702 -4.210 -5.401 1.00 0.61 H new ATOM 0 HA2 GLY B 21 15.441 -7.034 -5.509 1.00 0.61 H new ATOM 0 HA3 GLY B 21 13.839 -6.347 -5.332 1.00 0.61 H new ATOM 1347 N VAL B 22 13.926 -7.593 -7.846 1.00 0.64 N ATOM 1348 CA VAL B 22 13.247 -8.780 -7.244 1.00 0.63 C ATOM 1349 C VAL B 22 12.005 -9.059 -8.119 1.00 0.62 C ATOM 1350 O VAL B 22 11.794 -8.398 -9.133 1.00 0.63 O ATOM 1351 CB VAL B 22 12.868 -8.670 -5.739 1.00 0.60 C ATOM 1352 CG1 VAL B 22 11.714 -7.701 -5.426 1.00 0.56 C ATOM 1353 CG2 VAL B 22 12.696 -10.035 -5.060 1.00 0.61 C ATOM 0 H VAL B 22 13.909 -7.712 -8.859 1.00 0.64 H new ATOM 0 HA VAL B 22 13.961 -9.604 -7.242 1.00 0.63 H new ATOM 0 HB VAL B 22 13.742 -8.203 -5.285 1.00 0.60 H new ATOM 0 HG11 VAL B 22 11.525 -7.694 -4.352 1.00 0.56 H new ATOM 0 HG12 VAL B 22 11.983 -6.697 -5.753 1.00 0.56 H new ATOM 0 HG13 VAL B 22 10.815 -8.025 -5.950 1.00 0.56 H new ATOM 0 HG21 VAL B 22 12.432 -9.890 -4.012 1.00 0.61 H new ATOM 0 HG22 VAL B 22 11.904 -10.593 -5.560 1.00 0.61 H new ATOM 0 HG23 VAL B 22 13.630 -10.594 -5.125 1.00 0.61 H new ATOM 1363 N HIS B 23 11.151 -9.980 -7.690 1.00 0.61 N ATOM 1364 CA HIS B 23 9.885 -10.253 -8.376 1.00 0.61 C ATOM 1365 C HIS B 23 8.700 -9.942 -7.441 1.00 0.57 C ATOM 1366 O HIS B 23 8.770 -10.249 -6.243 1.00 0.56 O ATOM 1367 CB HIS B 23 9.883 -11.713 -8.848 1.00 0.64 C ATOM 1368 CG HIS B 23 8.729 -11.993 -9.816 1.00 0.64 C ATOM 1369 ND1 HIS B 23 7.465 -12.190 -9.459 1.00 0.63 N ATOM 1370 CD2 HIS B 23 8.801 -12.122 -11.138 1.00 0.67 C ATOM 1371 CE1 HIS B 23 6.753 -12.454 -10.553 1.00 0.65 C ATOM 1372 NE2 HIS B 23 7.584 -12.413 -11.590 1.00 0.68 N ATOM 0 H HIS B 23 11.310 -10.557 -6.864 1.00 0.61 H new ATOM 0 HA HIS B 23 9.778 -9.611 -9.250 1.00 0.61 H new ATOM 0 HB2 HIS B 23 10.831 -11.939 -9.336 1.00 0.64 H new ATOM 0 HB3 HIS B 23 9.803 -12.374 -7.985 1.00 0.64 H new ATOM 0 HD2 HIS B 23 9.691 -12.010 -11.739 1.00 0.67 H new ATOM 0 HE1 HIS B 23 5.694 -12.663 -10.591 1.00 0.65 H new ATOM 0 HE2 HIS B 23 7.332 -12.577 -12.565 1.00 0.68 H new ATOM 1380 N PRO B 24 7.605 -9.409 -8.011 1.00 0.57 N ATOM 1381 CA PRO B 24 6.327 -9.159 -7.313 1.00 0.55 C ATOM 1382 C PRO B 24 5.811 -10.383 -6.561 1.00 0.55 C ATOM 1383 O PRO B 24 5.022 -10.229 -5.639 1.00 0.53 O ATOM 1384 CB PRO B 24 5.313 -8.891 -8.417 1.00 0.56 C ATOM 1385 CG PRO B 24 6.148 -8.276 -9.527 1.00 0.58 C ATOM 1386 CD PRO B 24 7.492 -8.980 -9.421 1.00 0.59 C ATOM 0 HA PRO B 24 6.468 -8.350 -6.596 1.00 0.55 H new ATOM 0 HB2 PRO B 24 4.825 -9.809 -8.744 1.00 0.56 H new ATOM 0 HB3 PRO B 24 4.527 -8.213 -8.084 1.00 0.56 H new ATOM 0 HG2 PRO B 24 5.691 -8.436 -10.504 1.00 0.58 H new ATOM 0 HG3 PRO B 24 6.252 -7.199 -9.396 1.00 0.58 H new ATOM 0 HD2 PRO B 24 7.541 -9.834 -10.096 1.00 0.59 H new ATOM 0 HD3 PRO B 24 8.308 -8.311 -9.694 1.00 0.59 H new ATOM 1394 N LYS B 25 6.260 -11.571 -6.959 1.00 0.57 N ATOM 1395 CA LYS B 25 5.880 -12.855 -6.350 1.00 0.58 C ATOM 1396 C LYS B 25 6.065 -12.862 -4.822 1.00 0.56 C ATOM 1397 O LYS B 25 5.315 -13.515 -4.107 1.00 0.57 O ATOM 1398 CB LYS B 25 6.729 -13.960 -6.973 1.00 0.61 C ATOM 1399 CG LYS B 25 5.890 -15.223 -7.162 1.00 0.62 C ATOM 1400 CD LYS B 25 6.676 -16.366 -7.807 1.00 0.66 C ATOM 1401 CE LYS B 25 7.728 -16.945 -6.862 1.00 0.67 C ATOM 1402 NZ LYS B 25 7.607 -18.406 -6.817 1.00 0.69 N ATOM 0 H LYS B 25 6.915 -11.676 -7.734 1.00 0.57 H new ATOM 0 HA LYS B 25 4.820 -13.019 -6.543 1.00 0.58 H new ATOM 0 HB2 LYS B 25 7.123 -13.629 -7.934 1.00 0.61 H new ATOM 0 HB3 LYS B 25 7.586 -14.175 -6.334 1.00 0.61 H new ATOM 0 HG2 LYS B 25 5.511 -15.550 -6.194 1.00 0.62 H new ATOM 0 HG3 LYS B 25 5.024 -14.989 -7.781 1.00 0.62 H new ATOM 0 HD2 LYS B 25 5.987 -17.155 -8.108 1.00 0.66 H new ATOM 0 HD3 LYS B 25 7.163 -16.005 -8.713 1.00 0.66 H new ATOM 0 HE2 LYS B 25 8.726 -16.664 -7.198 1.00 0.67 H new ATOM 0 HE3 LYS B 25 7.600 -16.530 -5.862 1.00 0.67 H new ATOM 0 HZ1 LYS B 25 8.325 -18.794 -6.173 1.00 0.69 H new ATOM 0 HZ2 LYS B 25 6.659 -18.666 -6.476 1.00 0.69 H new ATOM 0 HZ3 LYS B 25 7.751 -18.796 -7.770 1.00 0.69 H new ATOM 1416 N MET B 26 7.024 -12.063 -4.356 1.00 0.55 N ATOM 1417 CA MET B 26 7.289 -11.868 -2.917 1.00 0.55 C ATOM 1418 C MET B 26 6.455 -10.740 -2.286 1.00 0.52 C ATOM 1419 O MET B 26 6.307 -10.662 -1.063 1.00 0.52 O ATOM 1420 CB MET B 26 8.785 -11.633 -2.691 1.00 0.57 C ATOM 1421 CG MET B 26 9.554 -12.940 -2.461 1.00 0.64 C ATOM 1422 SD MET B 26 9.289 -13.695 -0.811 1.00 0.75 S ATOM 1423 CE MET B 26 8.195 -15.047 -1.196 1.00 0.95 C ATOM 0 H MET B 26 7.645 -11.527 -4.962 1.00 0.55 H new ATOM 0 HA MET B 26 6.979 -12.783 -2.412 1.00 0.55 H new ATOM 0 HB2 MET B 26 9.203 -11.116 -3.554 1.00 0.57 H new ATOM 0 HB3 MET B 26 8.921 -10.978 -1.830 1.00 0.57 H new ATOM 0 HG2 MET B 26 9.262 -13.659 -3.227 1.00 0.64 H new ATOM 0 HG3 MET B 26 10.619 -12.749 -2.593 1.00 0.64 H new ATOM 0 HE1 MET B 26 8.336 -15.847 -0.469 1.00 0.95 H new ATOM 0 HE2 MET B 26 7.162 -14.701 -1.159 1.00 0.95 H new ATOM 0 HE3 MET B 26 8.417 -15.421 -2.195 1.00 0.95 H new ATOM 1433 N ILE B 27 5.931 -9.851 -3.121 1.00 0.50 N ATOM 1434 CA ILE B 27 5.134 -8.715 -2.648 1.00 0.48 C ATOM 1435 C ILE B 27 3.672 -9.110 -2.428 1.00 0.49 C ATOM 1436 O ILE B 27 3.085 -9.830 -3.238 1.00 0.56 O ATOM 1437 CB ILE B 27 5.200 -7.538 -3.651 1.00 0.52 C ATOM 1438 CG1 ILE B 27 6.657 -7.223 -4.019 1.00 0.56 C ATOM 1439 CG2 ILE B 27 4.513 -6.302 -3.084 1.00 0.53 C ATOM 1440 CD1 ILE B 27 7.524 -6.837 -2.838 1.00 0.58 C ATOM 0 H ILE B 27 6.042 -9.891 -4.134 1.00 0.50 H new ATOM 0 HA ILE B 27 5.559 -8.401 -1.695 1.00 0.48 H new ATOM 0 HB ILE B 27 4.672 -7.835 -4.557 1.00 0.52 H new ATOM 0 HG12 ILE B 27 7.094 -8.094 -4.507 1.00 0.56 H new ATOM 0 HG13 ILE B 27 6.669 -6.411 -4.746 1.00 0.56 H new ATOM 0 HG21 ILE B 27 4.573 -5.489 -3.807 1.00 0.53 H new ATOM 0 HG22 ILE B 27 3.467 -6.529 -2.879 1.00 0.53 H new ATOM 0 HG23 ILE B 27 5.007 -6.003 -2.160 1.00 0.53 H new ATOM 0 HD11 ILE B 27 8.537 -6.631 -3.183 1.00 0.58 H new ATOM 0 HD12 ILE B 27 7.114 -5.946 -2.361 1.00 0.58 H new ATOM 0 HD13 ILE B 27 7.545 -7.656 -2.119 1.00 0.58 H new ATOM 1452 N SER B 28 3.088 -8.631 -1.327 1.00 0.47 N ATOM 1453 CA SER B 28 1.696 -8.933 -0.995 1.00 0.54 C ATOM 1454 C SER B 28 0.977 -7.699 -0.440 1.00 0.55 C ATOM 1455 O SER B 28 -0.143 -7.800 0.066 1.00 0.70 O ATOM 1456 CB SER B 28 1.632 -10.074 0.026 1.00 0.61 C ATOM 1457 OG SER B 28 2.248 -11.249 -0.475 1.00 0.68 O ATOM 0 H SER B 28 3.560 -8.031 -0.650 1.00 0.47 H new ATOM 0 HA SER B 28 1.192 -9.239 -1.912 1.00 0.54 H new ATOM 0 HB2 SER B 28 2.125 -9.767 0.949 1.00 0.61 H new ATOM 0 HB3 SER B 28 0.592 -10.284 0.275 1.00 0.61 H new ATOM 0 HG SER B 28 1.720 -12.032 -0.214 1.00 0.68 H new ATOM 1463 N ASN B 29 1.627 -6.540 -0.538 1.00 0.49 N ATOM 1464 CA ASN B 29 1.059 -5.283 -0.045 1.00 0.50 C ATOM 1465 C ASN B 29 1.859 -4.093 -0.576 1.00 0.49 C ATOM 1466 O ASN B 29 3.088 -4.130 -0.610 1.00 0.49 O ATOM 1467 CB ASN B 29 1.060 -5.275 1.490 1.00 0.54 C ATOM 1468 CG ASN B 29 0.320 -4.089 2.081 1.00 0.58 C ATOM 1469 OD1 ASN B 29 -0.612 -3.556 1.478 1.00 0.67 O ATOM 1470 ND2 ASN B 29 0.724 -3.677 3.276 1.00 0.83 N ATOM 0 H ASN B 29 2.552 -6.444 -0.956 1.00 0.49 H new ATOM 0 HA ASN B 29 0.032 -5.199 -0.401 1.00 0.50 H new ATOM 0 HB2 ASN B 29 0.605 -6.197 1.852 1.00 0.54 H new ATOM 0 HB3 ASN B 29 2.090 -5.267 1.846 1.00 0.54 H new ATOM 0 HD21 ASN B 29 0.258 -2.891 3.729 1.00 0.83 H new ATOM 0 HD22 ASN B 29 1.501 -4.147 3.742 1.00 0.83 H new ATOM 1477 N LEU B 30 1.155 -3.041 -0.993 1.00 0.53 N ATOM 1478 CA LEU B 30 1.802 -1.845 -1.525 1.00 0.55 C ATOM 1479 C LEU B 30 1.227 -0.583 -0.895 1.00 0.56 C ATOM 1480 O LEU B 30 0.017 -0.451 -0.755 1.00 0.75 O ATOM 1481 CB LEU B 30 1.630 -1.782 -3.045 1.00 0.60 C ATOM 1482 CG LEU B 30 2.150 -0.501 -3.705 1.00 0.69 C ATOM 1483 CD1 LEU B 30 3.668 -0.522 -3.788 1.00 0.74 C ATOM 1484 CD2 LEU B 30 1.538 -0.324 -5.087 1.00 0.75 C ATOM 0 H LEU B 30 0.136 -2.994 -0.972 1.00 0.53 H new ATOM 0 HA LEU B 30 2.863 -1.902 -1.281 1.00 0.55 H new ATOM 0 HB2 LEU B 30 2.143 -2.635 -3.489 1.00 0.60 H new ATOM 0 HB3 LEU B 30 0.571 -1.889 -3.280 1.00 0.60 H new ATOM 0 HG LEU B 30 1.853 0.348 -3.089 1.00 0.69 H new ATOM 0 HD11 LEU B 30 4.019 0.396 -4.260 1.00 0.74 H new ATOM 0 HD12 LEU B 30 4.086 -0.597 -2.784 1.00 0.74 H new ATOM 0 HD13 LEU B 30 3.988 -1.380 -4.380 1.00 0.74 H new ATOM 0 HD21 LEU B 30 1.920 0.591 -5.539 1.00 0.75 H new ATOM 0 HD22 LEU B 30 1.802 -1.176 -5.714 1.00 0.75 H new ATOM 0 HD23 LEU B 30 0.453 -0.260 -4.999 1.00 0.75 H new ATOM 1496 N GLN B 31 2.098 0.341 -0.506 1.00 0.50 N ATOM 1497 CA GLN B 31 1.661 1.597 0.095 1.00 0.50 C ATOM 1498 C GLN B 31 2.348 2.782 -0.581 1.00 0.51 C ATOM 1499 O GLN B 31 3.573 2.903 -0.551 1.00 0.60 O ATOM 1500 CB GLN B 31 1.941 1.616 1.602 1.00 0.53 C ATOM 1501 CG GLN B 31 1.400 0.406 2.355 1.00 0.57 C ATOM 1502 CD GLN B 31 2.470 -0.619 2.680 1.00 0.75 C ATOM 1503 OE1 GLN B 31 2.751 -1.517 1.887 1.00 1.08 O ATOM 1504 NE2 GLN B 31 3.069 -0.497 3.859 1.00 1.01 N ATOM 0 H GLN B 31 3.110 0.245 -0.596 1.00 0.50 H new ATOM 0 HA GLN B 31 0.584 1.681 -0.054 1.00 0.50 H new ATOM 0 HB2 GLN B 31 3.018 1.675 1.759 1.00 0.53 H new ATOM 0 HB3 GLN B 31 1.506 2.520 2.029 1.00 0.53 H new ATOM 0 HG2 GLN B 31 0.933 0.741 3.281 1.00 0.57 H new ATOM 0 HG3 GLN B 31 0.621 -0.068 1.758 1.00 0.57 H new ATOM 0 HE21 GLN B 31 2.807 0.262 4.488 1.00 1.01 H new ATOM 0 HE22 GLN B 31 3.791 -1.162 4.135 1.00 1.01 H new ATOM 1513 N VAL B 32 1.548 3.646 -1.200 1.00 0.49 N ATOM 1514 CA VAL B 32 2.068 4.821 -1.892 1.00 0.51 C ATOM 1515 C VAL B 32 1.812 6.093 -1.089 1.00 0.49 C ATOM 1516 O VAL B 32 0.669 6.517 -0.919 1.00 0.61 O ATOM 1517 CB VAL B 32 1.439 4.974 -3.294 1.00 0.56 C ATOM 1518 CG1 VAL B 32 2.196 6.012 -4.109 1.00 0.61 C ATOM 1519 CG2 VAL B 32 1.410 3.637 -4.021 1.00 0.59 C ATOM 0 H VAL B 32 0.533 3.553 -1.236 1.00 0.49 H new ATOM 0 HA VAL B 32 3.143 4.674 -1.999 1.00 0.51 H new ATOM 0 HB VAL B 32 0.411 5.316 -3.172 1.00 0.56 H new ATOM 0 HG11 VAL B 32 1.738 6.106 -5.094 1.00 0.61 H new ATOM 0 HG12 VAL B 32 2.158 6.974 -3.598 1.00 0.61 H new ATOM 0 HG13 VAL B 32 3.235 5.701 -4.220 1.00 0.61 H new ATOM 0 HG21 VAL B 32 0.963 3.768 -5.006 1.00 0.59 H new ATOM 0 HG22 VAL B 32 2.427 3.261 -4.131 1.00 0.59 H new ATOM 0 HG23 VAL B 32 0.819 2.923 -3.447 1.00 0.59 H new ATOM 1529 N PHE B 33 2.891 6.695 -0.600 1.00 0.48 N ATOM 1530 CA PHE B 33 2.811 7.919 0.190 1.00 0.48 C ATOM 1531 C PHE B 33 3.203 9.132 -0.648 1.00 0.50 C ATOM 1532 O PHE B 33 4.208 9.104 -1.362 1.00 0.56 O ATOM 1533 CB PHE B 33 3.734 7.823 1.409 1.00 0.53 C ATOM 1534 CG PHE B 33 3.287 6.827 2.444 1.00 0.57 C ATOM 1535 CD1 PHE B 33 3.599 5.482 2.316 1.00 0.65 C ATOM 1536 CD2 PHE B 33 2.557 7.240 3.548 1.00 0.70 C ATOM 1537 CE1 PHE B 33 3.192 4.571 3.271 1.00 0.78 C ATOM 1538 CE2 PHE B 33 2.148 6.331 4.504 1.00 0.85 C ATOM 1539 CZ PHE B 33 2.464 4.994 4.364 1.00 0.86 C ATOM 0 H PHE B 33 3.841 6.351 -0.739 1.00 0.48 H new ATOM 0 HA PHE B 33 1.780 8.039 0.523 1.00 0.48 H new ATOM 0 HB2 PHE B 33 4.736 7.555 1.072 1.00 0.53 H new ATOM 0 HB3 PHE B 33 3.806 8.806 1.874 1.00 0.53 H new ATOM 0 HD1 PHE B 33 4.166 5.144 1.461 1.00 0.65 H new ATOM 0 HD2 PHE B 33 2.305 8.284 3.662 1.00 0.70 H new ATOM 0 HE1 PHE B 33 3.444 3.526 3.162 1.00 0.78 H new ATOM 0 HE2 PHE B 33 1.581 6.666 5.360 1.00 0.85 H new ATOM 0 HZ PHE B 33 2.142 4.281 5.109 1.00 0.86 H new ATOM 1549 N ALA B 34 2.410 10.198 -0.561 1.00 0.50 N ATOM 1550 CA ALA B 34 2.693 11.422 -1.305 1.00 0.55 C ATOM 1551 C ALA B 34 3.506 12.403 -0.459 1.00 0.54 C ATOM 1552 O ALA B 34 4.222 11.999 0.459 1.00 0.58 O ATOM 1553 CB ALA B 34 1.395 12.061 -1.776 1.00 0.61 C ATOM 0 H ALA B 34 1.569 10.238 0.015 1.00 0.50 H new ATOM 0 HA ALA B 34 3.291 11.163 -2.179 1.00 0.55 H new ATOM 0 HB1 ALA B 34 1.618 12.973 -2.330 1.00 0.61 H new ATOM 0 HB2 ALA B 34 0.861 11.365 -2.423 1.00 0.61 H new ATOM 0 HB3 ALA B 34 0.775 12.303 -0.913 1.00 0.61 H new ATOM 1559 N ILE B 35 3.396 13.692 -0.779 1.00 0.60 N ATOM 1560 CA ILE B 35 4.114 14.735 -0.051 1.00 0.63 C ATOM 1561 C ILE B 35 3.562 14.891 1.368 1.00 0.59 C ATOM 1562 O ILE B 35 2.384 15.205 1.558 1.00 0.63 O ATOM 1563 CB ILE B 35 4.024 16.091 -0.789 1.00 0.75 C ATOM 1564 CG1 ILE B 35 4.655 15.979 -2.181 1.00 0.90 C ATOM 1565 CG2 ILE B 35 4.700 17.194 0.017 1.00 0.77 C ATOM 1566 CD1 ILE B 35 4.460 17.210 -3.039 1.00 1.10 C ATOM 0 H ILE B 35 2.814 14.039 -1.541 1.00 0.60 H new ATOM 0 HA ILE B 35 5.159 14.431 0.005 1.00 0.63 H new ATOM 0 HB ILE B 35 2.972 16.352 -0.902 1.00 0.75 H new ATOM 0 HG12 ILE B 35 5.723 15.789 -2.072 1.00 0.90 H new ATOM 0 HG13 ILE B 35 4.229 15.118 -2.695 1.00 0.90 H new ATOM 0 HG21 ILE B 35 4.624 18.138 -0.523 1.00 0.77 H new ATOM 0 HG22 ILE B 35 4.210 17.289 0.986 1.00 0.77 H new ATOM 0 HG23 ILE B 35 5.751 16.945 0.165 1.00 0.77 H new ATOM 0 HD11 ILE B 35 4.934 17.056 -4.009 1.00 1.10 H new ATOM 0 HD12 ILE B 35 3.394 17.390 -3.180 1.00 1.10 H new ATOM 0 HD13 ILE B 35 4.912 18.072 -2.547 1.00 1.10 H new ATOM 1578 N GLY B 36 4.423 14.664 2.356 1.00 0.58 N ATOM 1579 CA GLY B 36 4.013 14.778 3.744 1.00 0.59 C ATOM 1580 C GLY B 36 4.831 15.806 4.508 1.00 0.63 C ATOM 1581 O GLY B 36 5.693 16.468 3.930 1.00 0.63 O ATOM 0 H GLY B 36 5.399 14.403 2.219 1.00 0.58 H new ATOM 0 HA2 GLY B 36 2.959 15.052 3.787 1.00 0.59 H new ATOM 0 HA3 GLY B 36 4.110 13.807 4.229 1.00 0.59 H new ATOM 1585 N PRO B 37 4.578 15.957 5.824 1.00 0.67 N ATOM 1586 CA PRO B 37 5.294 16.915 6.676 1.00 0.73 C ATOM 1587 C PRO B 37 6.700 16.445 7.046 1.00 0.71 C ATOM 1588 O PRO B 37 7.491 17.206 7.605 1.00 0.77 O ATOM 1589 CB PRO B 37 4.418 17.000 7.940 1.00 0.79 C ATOM 1590 CG PRO B 37 3.186 16.206 7.650 1.00 0.77 C ATOM 1591 CD PRO B 37 3.565 15.220 6.585 1.00 0.69 C ATOM 0 HA PRO B 37 5.437 17.868 6.167 1.00 0.73 H new ATOM 0 HB2 PRO B 37 4.945 16.599 8.806 1.00 0.79 H new ATOM 0 HB3 PRO B 37 4.168 18.035 8.171 1.00 0.79 H new ATOM 0 HG2 PRO B 37 2.832 15.695 8.546 1.00 0.77 H new ATOM 0 HG3 PRO B 37 2.377 16.853 7.311 1.00 0.77 H new ATOM 0 HD2 PRO B 37 3.965 14.298 7.008 1.00 0.69 H new ATOM 0 HD3 PRO B 37 2.712 14.943 5.965 1.00 0.69 H new ATOM 1599 N GLN B 38 7.008 15.189 6.732 1.00 0.65 N ATOM 1600 CA GLN B 38 8.327 14.618 7.046 1.00 0.65 C ATOM 1601 C GLN B 38 9.180 14.350 5.797 1.00 0.61 C ATOM 1602 O GLN B 38 10.395 14.185 5.888 1.00 0.63 O ATOM 1603 CB GLN B 38 8.132 13.332 7.860 1.00 0.65 C ATOM 1604 CG GLN B 38 7.387 12.222 7.109 1.00 0.59 C ATOM 1605 CD GLN B 38 7.238 10.989 7.992 1.00 0.63 C ATOM 1606 OE1 GLN B 38 6.612 10.997 9.036 1.00 0.71 O ATOM 1607 NE2 GLN B 38 7.777 9.887 7.529 1.00 0.61 N ATOM 0 H GLN B 38 6.370 14.546 6.263 1.00 0.65 H new ATOM 0 HA GLN B 38 8.879 15.354 7.631 1.00 0.65 H new ATOM 0 HB2 GLN B 38 9.109 12.957 8.166 1.00 0.65 H new ATOM 0 HB3 GLN B 38 7.583 13.571 8.771 1.00 0.65 H new ATOM 0 HG2 GLN B 38 6.404 12.579 6.803 1.00 0.59 H new ATOM 0 HG3 GLN B 38 7.929 11.962 6.200 1.00 0.59 H new ATOM 0 HE21 GLN B 38 8.297 9.903 6.652 1.00 0.61 H new ATOM 0 HE22 GLN B 38 7.676 9.014 8.046 1.00 0.61 H new ATOM 1616 N CYS B 39 8.518 14.241 4.648 1.00 0.56 N ATOM 1617 CA CYS B 39 9.202 13.936 3.396 1.00 0.54 C ATOM 1618 C CYS B 39 8.452 14.521 2.203 1.00 0.59 C ATOM 1619 O CYS B 39 7.261 14.270 2.025 1.00 0.67 O ATOM 1620 CB CYS B 39 9.307 12.413 3.242 1.00 0.48 C ATOM 1621 SG CYS B 39 10.664 11.844 2.166 1.00 0.47 S ATOM 0 H CYS B 39 7.509 14.359 4.559 1.00 0.56 H new ATOM 0 HA CYS B 39 10.196 14.382 3.423 1.00 0.54 H new ATOM 0 HB2 CYS B 39 9.436 11.970 4.230 1.00 0.48 H new ATOM 0 HB3 CYS B 39 8.365 12.037 2.844 1.00 0.48 H new ATOM 1626 N SER B 40 9.158 15.296 1.385 1.00 0.64 N ATOM 1627 CA SER B 40 8.559 15.905 0.202 1.00 0.73 C ATOM 1628 C SER B 40 8.877 15.073 -1.043 1.00 0.72 C ATOM 1629 O SER B 40 9.059 15.609 -2.138 1.00 1.00 O ATOM 1630 CB SER B 40 9.072 17.338 0.029 1.00 0.87 C ATOM 1631 OG SER B 40 8.240 18.078 -0.849 1.00 1.01 O ATOM 0 H SER B 40 10.145 15.517 1.519 1.00 0.64 H new ATOM 0 HA SER B 40 7.477 15.934 0.333 1.00 0.73 H new ATOM 0 HB2 SER B 40 9.112 17.832 1.000 1.00 0.87 H new ATOM 0 HB3 SER B 40 10.090 17.318 -0.361 1.00 0.87 H new ATOM 0 HG SER B 40 8.133 17.587 -1.690 1.00 1.01 H new ATOM 1637 N LYS B 41 8.935 13.757 -0.860 1.00 0.66 N ATOM 1638 CA LYS B 41 9.240 12.836 -1.947 1.00 0.64 C ATOM 1639 C LYS B 41 8.327 11.610 -1.897 1.00 0.61 C ATOM 1640 O LYS B 41 7.982 11.128 -0.818 1.00 0.61 O ATOM 1641 CB LYS B 41 10.705 12.394 -1.853 1.00 0.64 C ATOM 1642 CG LYS B 41 11.147 11.465 -2.973 1.00 0.71 C ATOM 1643 CD LYS B 41 12.479 10.806 -2.653 1.00 0.81 C ATOM 1644 CE LYS B 41 12.871 9.793 -3.717 1.00 0.97 C ATOM 1645 NZ LYS B 41 14.041 8.970 -3.300 1.00 1.16 N ATOM 0 H LYS B 41 8.773 13.303 0.039 1.00 0.66 H new ATOM 0 HA LYS B 41 9.072 13.351 -2.893 1.00 0.64 H new ATOM 0 HB2 LYS B 41 11.341 13.279 -1.857 1.00 0.64 H new ATOM 0 HB3 LYS B 41 10.862 11.894 -0.897 1.00 0.64 H new ATOM 0 HG2 LYS B 41 10.389 10.698 -3.132 1.00 0.71 H new ATOM 0 HG3 LYS B 41 11.232 12.028 -3.903 1.00 0.71 H new ATOM 0 HD2 LYS B 41 13.253 11.569 -2.573 1.00 0.81 H new ATOM 0 HD3 LYS B 41 12.418 10.311 -1.684 1.00 0.81 H new ATOM 0 HE2 LYS B 41 12.024 9.140 -3.925 1.00 0.97 H new ATOM 0 HE3 LYS B 41 13.107 10.314 -4.645 1.00 0.97 H new ATOM 0 HZ1 LYS B 41 14.212 8.227 -4.007 1.00 1.16 H new ATOM 0 HZ2 LYS B 41 14.883 9.576 -3.225 1.00 1.16 H new ATOM 0 HZ3 LYS B 41 13.846 8.532 -2.377 1.00 1.16 H new ATOM 1659 N VAL B 42 7.935 11.117 -3.070 1.00 0.61 N ATOM 1660 CA VAL B 42 7.083 9.938 -3.159 1.00 0.62 C ATOM 1661 C VAL B 42 7.913 8.665 -2.995 1.00 0.60 C ATOM 1662 O VAL B 42 8.878 8.440 -3.726 1.00 0.68 O ATOM 1663 CB VAL B 42 6.308 9.881 -4.493 1.00 0.68 C ATOM 1664 CG1 VAL B 42 5.128 10.839 -4.465 1.00 0.72 C ATOM 1665 CG2 VAL B 42 7.222 10.195 -5.672 1.00 0.78 C ATOM 0 H VAL B 42 8.195 11.518 -3.971 1.00 0.61 H new ATOM 0 HA VAL B 42 6.356 10.009 -2.350 1.00 0.62 H new ATOM 0 HB VAL B 42 5.930 8.867 -4.620 1.00 0.68 H new ATOM 0 HG11 VAL B 42 4.593 10.785 -5.413 1.00 0.72 H new ATOM 0 HG12 VAL B 42 4.455 10.564 -3.653 1.00 0.72 H new ATOM 0 HG13 VAL B 42 5.488 11.856 -4.309 1.00 0.72 H new ATOM 0 HG21 VAL B 42 6.650 10.148 -6.599 1.00 0.78 H new ATOM 0 HG22 VAL B 42 7.638 11.195 -5.553 1.00 0.78 H new ATOM 0 HG23 VAL B 42 8.032 9.467 -5.708 1.00 0.78 H new ATOM 1675 N GLU B 43 7.540 7.842 -2.022 1.00 0.56 N ATOM 1676 CA GLU B 43 8.262 6.602 -1.753 1.00 0.54 C ATOM 1677 C GLU B 43 7.295 5.424 -1.719 1.00 0.53 C ATOM 1678 O GLU B 43 6.270 5.472 -1.037 1.00 0.57 O ATOM 1679 CB GLU B 43 9.021 6.710 -0.426 1.00 0.54 C ATOM 1680 CG GLU B 43 9.713 8.052 -0.240 1.00 0.61 C ATOM 1681 CD GLU B 43 10.671 8.072 0.927 1.00 0.68 C ATOM 1682 OE1 GLU B 43 10.207 7.968 2.079 1.00 0.80 O ATOM 1683 OE2 GLU B 43 11.884 8.205 0.685 1.00 0.77 O ATOM 0 H GLU B 43 6.744 8.009 -1.407 1.00 0.56 H new ATOM 0 HA GLU B 43 8.983 6.435 -2.554 1.00 0.54 H new ATOM 0 HB2 GLU B 43 8.325 6.550 0.397 1.00 0.54 H new ATOM 0 HB3 GLU B 43 9.764 5.915 -0.374 1.00 0.54 H new ATOM 0 HG2 GLU B 43 10.256 8.303 -1.151 1.00 0.61 H new ATOM 0 HG3 GLU B 43 8.959 8.825 -0.095 1.00 0.61 H new ATOM 1690 N VAL B 44 7.620 4.365 -2.458 1.00 0.51 N ATOM 1691 CA VAL B 44 6.757 3.192 -2.519 1.00 0.51 C ATOM 1692 C VAL B 44 7.251 2.064 -1.618 1.00 0.49 C ATOM 1693 O VAL B 44 8.244 1.396 -1.904 1.00 0.53 O ATOM 1694 CB VAL B 44 6.595 2.662 -3.959 1.00 0.55 C ATOM 1695 CG1 VAL B 44 5.487 3.409 -4.681 1.00 0.60 C ATOM 1696 CG2 VAL B 44 7.898 2.772 -4.733 1.00 0.59 C ATOM 0 H VAL B 44 8.469 4.297 -3.019 1.00 0.51 H new ATOM 0 HA VAL B 44 5.784 3.526 -2.158 1.00 0.51 H new ATOM 0 HB VAL B 44 6.324 1.608 -3.899 1.00 0.55 H new ATOM 0 HG11 VAL B 44 5.388 3.021 -5.695 1.00 0.60 H new ATOM 0 HG12 VAL B 44 4.547 3.272 -4.146 1.00 0.60 H new ATOM 0 HG13 VAL B 44 5.730 4.471 -4.721 1.00 0.60 H new ATOM 0 HG21 VAL B 44 7.754 2.391 -5.744 1.00 0.59 H new ATOM 0 HG22 VAL B 44 8.207 3.816 -4.779 1.00 0.59 H new ATOM 0 HG23 VAL B 44 8.669 2.187 -4.232 1.00 0.59 H new ATOM 1706 N VAL B 45 6.546 1.880 -0.515 1.00 0.47 N ATOM 1707 CA VAL B 45 6.854 0.812 0.460 1.00 0.46 C ATOM 1708 C VAL B 45 6.024 -0.457 0.163 1.00 0.48 C ATOM 1709 O VAL B 45 4.982 -0.428 -0.498 1.00 0.51 O ATOM 1710 CB VAL B 45 6.721 1.287 1.927 1.00 0.46 C ATOM 1711 CG1 VAL B 45 7.527 2.538 2.203 1.00 0.61 C ATOM 1712 CG2 VAL B 45 5.353 1.776 2.340 1.00 0.62 C ATOM 0 H VAL B 45 5.745 2.456 -0.258 1.00 0.47 H new ATOM 0 HA VAL B 45 7.905 0.549 0.338 1.00 0.46 H new ATOM 0 HB VAL B 45 7.029 0.384 2.454 1.00 0.46 H new ATOM 0 HG11 VAL B 45 7.400 2.830 3.245 1.00 0.61 H new ATOM 0 HG12 VAL B 45 8.581 2.342 2.007 1.00 0.61 H new ATOM 0 HG13 VAL B 45 7.181 3.344 1.556 1.00 0.61 H new ATOM 0 HG21 VAL B 45 5.377 2.083 3.386 1.00 0.62 H new ATOM 0 HG22 VAL B 45 5.067 2.625 1.719 1.00 0.62 H new ATOM 0 HG23 VAL B 45 4.626 0.973 2.214 1.00 0.62 H new ATOM 1722 N ALA B 46 6.592 -1.596 0.512 1.00 0.48 N ATOM 1723 CA ALA B 46 5.941 -2.904 0.304 1.00 0.51 C ATOM 1724 C ALA B 46 6.182 -3.837 1.493 1.00 0.51 C ATOM 1725 O ALA B 46 7.159 -3.684 2.232 1.00 0.50 O ATOM 1726 CB ALA B 46 6.463 -3.548 -0.985 1.00 0.55 C ATOM 0 H ALA B 46 7.513 -1.656 0.947 1.00 0.48 H new ATOM 0 HA ALA B 46 4.867 -2.740 0.216 1.00 0.51 H new ATOM 0 HB1 ALA B 46 5.978 -4.513 -1.132 1.00 0.55 H new ATOM 0 HB2 ALA B 46 6.242 -2.898 -1.832 1.00 0.55 H new ATOM 0 HB3 ALA B 46 7.541 -3.691 -0.909 1.00 0.55 H new ATOM 1732 N SER B 47 5.250 -4.763 1.680 1.00 0.54 N ATOM 1733 CA SER B 47 5.345 -5.791 2.733 1.00 0.57 C ATOM 1734 C SER B 47 5.247 -7.190 2.123 1.00 0.60 C ATOM 1735 O SER B 47 4.370 -7.486 1.301 1.00 0.63 O ATOM 1736 CB SER B 47 4.238 -5.629 3.773 1.00 0.60 C ATOM 1737 OG SER B 47 4.256 -4.301 4.304 1.00 0.58 O ATOM 0 H SER B 47 4.405 -4.831 1.112 1.00 0.54 H new ATOM 0 HA SER B 47 6.311 -5.665 3.222 1.00 0.57 H new ATOM 0 HB2 SER B 47 3.269 -5.835 3.319 1.00 0.60 H new ATOM 0 HB3 SER B 47 4.374 -6.353 4.577 1.00 0.60 H new ATOM 0 HG SER B 47 3.542 -4.205 4.969 1.00 0.58 H new ATOM 1743 N LEU B 48 6.164 -8.054 2.539 1.00 0.62 N ATOM 1744 CA LEU B 48 6.204 -9.430 2.058 1.00 0.67 C ATOM 1745 C LEU B 48 5.198 -10.294 2.811 1.00 0.71 C ATOM 1746 O LEU B 48 4.611 -9.857 3.802 1.00 0.70 O ATOM 1747 CB LEU B 48 7.613 -10.012 2.228 1.00 0.68 C ATOM 1748 CG LEU B 48 8.596 -9.716 1.089 1.00 0.70 C ATOM 1749 CD1 LEU B 48 8.967 -8.240 1.056 1.00 0.70 C ATOM 1750 CD2 LEU B 48 9.844 -10.575 1.234 1.00 0.75 C ATOM 0 H LEU B 48 6.895 -7.825 3.213 1.00 0.62 H new ATOM 0 HA LEU B 48 5.942 -9.427 1.000 1.00 0.67 H new ATOM 0 HB2 LEU B 48 8.035 -9.628 3.157 1.00 0.68 H new ATOM 0 HB3 LEU B 48 7.529 -11.093 2.339 1.00 0.68 H new ATOM 0 HG LEU B 48 8.108 -9.961 0.146 1.00 0.70 H new ATOM 0 HD11 LEU B 48 9.665 -8.058 0.239 1.00 0.70 H new ATOM 0 HD12 LEU B 48 8.068 -7.642 0.905 1.00 0.70 H new ATOM 0 HD13 LEU B 48 9.434 -7.961 2.001 1.00 0.70 H new ATOM 0 HD21 LEU B 48 10.534 -10.355 0.419 1.00 0.75 H new ATOM 0 HD22 LEU B 48 10.327 -10.357 2.187 1.00 0.75 H new ATOM 0 HD23 LEU B 48 9.566 -11.629 1.200 1.00 0.75 H new ATOM 1762 N LYS B 49 5.007 -11.523 2.341 1.00 0.76 N ATOM 1763 CA LYS B 49 4.076 -12.449 2.980 1.00 0.82 C ATOM 1764 C LYS B 49 4.688 -13.028 4.256 1.00 0.84 C ATOM 1765 O LYS B 49 3.984 -13.578 5.105 1.00 0.89 O ATOM 1766 CB LYS B 49 3.696 -13.576 2.014 1.00 0.89 C ATOM 1767 CG LYS B 49 2.488 -14.383 2.463 1.00 0.98 C ATOM 1768 CD LYS B 49 1.200 -13.580 2.337 1.00 1.05 C ATOM 1769 CE LYS B 49 0.034 -14.285 3.011 1.00 1.23 C ATOM 1770 NZ LYS B 49 0.230 -14.401 4.484 1.00 1.27 N ATOM 0 H LYS B 49 5.483 -11.901 1.522 1.00 0.76 H new ATOM 0 HA LYS B 49 3.173 -11.900 3.247 1.00 0.82 H new ATOM 0 HB2 LYS B 49 3.492 -13.148 1.032 1.00 0.89 H new ATOM 0 HB3 LYS B 49 4.548 -14.247 1.899 1.00 0.89 H new ATOM 0 HG2 LYS B 49 2.412 -15.290 1.863 1.00 0.98 H new ATOM 0 HG3 LYS B 49 2.623 -14.696 3.498 1.00 0.98 H new ATOM 0 HD2 LYS B 49 1.339 -12.596 2.784 1.00 1.05 H new ATOM 0 HD3 LYS B 49 0.971 -13.422 1.283 1.00 1.05 H new ATOM 0 HE2 LYS B 49 -0.887 -13.737 2.809 1.00 1.23 H new ATOM 0 HE3 LYS B 49 -0.086 -15.280 2.581 1.00 1.23 H new ATOM 0 HZ1 LYS B 49 -0.686 -14.582 4.943 1.00 1.27 H new ATOM 0 HZ2 LYS B 49 0.880 -15.187 4.687 1.00 1.27 H new ATOM 0 HZ3 LYS B 49 0.633 -13.515 4.851 1.00 1.27 H new ATOM 1784 N ASN B 50 6.005 -12.890 4.386 1.00 0.81 N ATOM 1785 CA ASN B 50 6.726 -13.389 5.552 1.00 0.84 C ATOM 1786 C ASN B 50 6.646 -12.395 6.710 1.00 0.80 C ATOM 1787 O ASN B 50 6.989 -12.723 7.847 1.00 0.97 O ATOM 1788 CB ASN B 50 8.192 -13.653 5.196 1.00 0.86 C ATOM 1789 CG ASN B 50 8.349 -14.651 4.064 1.00 0.94 C ATOM 1790 OD1 ASN B 50 7.536 -15.563 3.904 1.00 0.99 O ATOM 1791 ND2 ASN B 50 9.398 -14.484 3.268 1.00 0.97 N ATOM 0 H ASN B 50 6.597 -12.433 3.692 1.00 0.81 H new ATOM 0 HA ASN B 50 6.258 -14.323 5.864 1.00 0.84 H new ATOM 0 HB2 ASN B 50 8.668 -12.714 4.915 1.00 0.86 H new ATOM 0 HB3 ASN B 50 8.715 -14.024 6.078 1.00 0.86 H new ATOM 0 HD21 ASN B 50 9.554 -15.124 2.489 1.00 0.97 H new ATOM 0 HD22 ASN B 50 10.048 -13.716 3.435 1.00 0.97 H new ATOM 1798 N GLY B 51 6.190 -11.179 6.412 1.00 0.67 N ATOM 1799 CA GLY B 51 6.068 -10.155 7.435 1.00 0.65 C ATOM 1800 C GLY B 51 7.258 -9.215 7.459 1.00 0.60 C ATOM 1801 O GLY B 51 7.834 -8.959 8.516 1.00 0.67 O ATOM 0 H GLY B 51 5.903 -10.886 5.478 1.00 0.67 H new ATOM 0 HA2 GLY B 51 5.158 -9.580 7.263 1.00 0.65 H new ATOM 0 HA3 GLY B 51 5.965 -10.631 8.410 1.00 0.65 H new ATOM 1805 N LYS B 52 7.628 -8.702 6.288 1.00 0.57 N ATOM 1806 CA LYS B 52 8.757 -7.784 6.171 1.00 0.55 C ATOM 1807 C LYS B 52 8.369 -6.532 5.391 1.00 0.51 C ATOM 1808 O LYS B 52 7.453 -6.560 4.580 1.00 0.60 O ATOM 1809 CB LYS B 52 9.937 -8.474 5.481 1.00 0.59 C ATOM 1810 CG LYS B 52 10.594 -9.560 6.321 1.00 0.66 C ATOM 1811 CD LYS B 52 11.709 -10.262 5.559 1.00 0.79 C ATOM 1812 CE LYS B 52 12.858 -9.318 5.243 1.00 0.86 C ATOM 1813 NZ LYS B 52 13.964 -10.010 4.526 1.00 1.05 N ATOM 0 H LYS B 52 7.161 -8.907 5.405 1.00 0.57 H new ATOM 0 HA LYS B 52 9.051 -7.489 7.178 1.00 0.55 H new ATOM 0 HB2 LYS B 52 9.592 -8.912 4.544 1.00 0.59 H new ATOM 0 HB3 LYS B 52 10.685 -7.724 5.226 1.00 0.59 H new ATOM 0 HG2 LYS B 52 10.997 -9.121 7.233 1.00 0.66 H new ATOM 0 HG3 LYS B 52 9.844 -10.290 6.623 1.00 0.66 H new ATOM 0 HD2 LYS B 52 12.079 -11.101 6.148 1.00 0.79 H new ATOM 0 HD3 LYS B 52 11.312 -10.674 4.631 1.00 0.79 H new ATOM 0 HE2 LYS B 52 12.492 -8.491 4.634 1.00 0.86 H new ATOM 0 HE3 LYS B 52 13.239 -8.887 6.169 1.00 0.86 H new ATOM 0 HZ1 LYS B 52 14.728 -9.332 4.329 1.00 1.05 H new ATOM 0 HZ2 LYS B 52 14.331 -10.783 5.117 1.00 1.05 H new ATOM 0 HZ3 LYS B 52 13.607 -10.399 3.630 1.00 1.05 H new ATOM 1827 N GLU B 53 9.076 -5.440 5.647 1.00 0.53 N ATOM 1828 CA GLU B 53 8.826 -4.159 4.966 1.00 0.50 C ATOM 1829 C GLU B 53 10.152 -3.549 4.497 1.00 0.50 C ATOM 1830 O GLU B 53 11.130 -3.478 5.247 1.00 0.52 O ATOM 1831 CB GLU B 53 8.088 -3.204 5.913 1.00 0.51 C ATOM 1832 CG GLU B 53 8.951 -2.804 7.117 1.00 0.66 C ATOM 1833 CD GLU B 53 8.182 -2.045 8.184 1.00 0.66 C ATOM 1834 OE1 GLU B 53 7.226 -2.652 8.710 1.00 0.67 O ATOM 1835 OE2 GLU B 53 8.624 -0.921 8.498 1.00 0.71 O ATOM 0 H GLU B 53 9.836 -5.407 6.326 1.00 0.53 H new ATOM 0 HA GLU B 53 8.200 -4.329 4.090 1.00 0.50 H new ATOM 0 HB2 GLU B 53 7.792 -2.309 5.366 1.00 0.51 H new ATOM 0 HB3 GLU B 53 7.173 -3.679 6.266 1.00 0.51 H new ATOM 0 HG2 GLU B 53 9.382 -3.702 7.560 1.00 0.66 H new ATOM 0 HG3 GLU B 53 9.781 -2.189 6.771 1.00 0.66 H new ATOM 1842 N ILE B 54 10.170 -3.179 3.237 1.00 0.47 N ATOM 1843 CA ILE B 54 11.360 -2.537 2.643 1.00 0.47 C ATOM 1844 C ILE B 54 10.951 -1.229 1.949 1.00 0.45 C ATOM 1845 O ILE B 54 9.766 -0.891 1.857 1.00 0.43 O ATOM 1846 CB ILE B 54 12.100 -3.510 1.703 1.00 0.49 C ATOM 1847 CG1 ILE B 54 11.210 -3.917 0.515 1.00 0.47 C ATOM 1848 CG2 ILE B 54 12.645 -4.709 2.499 1.00 0.52 C ATOM 1849 CD1 ILE B 54 11.919 -4.743 -0.561 1.00 0.49 C ATOM 0 H ILE B 54 9.389 -3.303 2.593 1.00 0.47 H new ATOM 0 HA ILE B 54 12.068 -2.281 3.431 1.00 0.47 H new ATOM 0 HB ILE B 54 12.962 -3.005 1.268 1.00 0.49 H new ATOM 0 HG12 ILE B 54 10.362 -4.488 0.893 1.00 0.47 H new ATOM 0 HG13 ILE B 54 10.807 -3.015 0.055 1.00 0.47 H new ATOM 0 HG21 ILE B 54 13.165 -5.388 1.823 1.00 0.52 H new ATOM 0 HG22 ILE B 54 13.338 -4.354 3.262 1.00 0.52 H new ATOM 0 HG23 ILE B 54 11.818 -5.235 2.976 1.00 0.52 H new ATOM 0 HD11 ILE B 54 11.215 -4.984 -1.358 1.00 0.49 H new ATOM 0 HD12 ILE B 54 12.750 -4.169 -0.972 1.00 0.49 H new ATOM 0 HD13 ILE B 54 12.298 -5.665 -0.121 1.00 0.49 H new ATOM 1861 N CYS B 55 11.953 -0.570 1.388 1.00 0.45 N ATOM 1862 CA CYS B 55 11.757 0.674 0.633 1.00 0.44 C ATOM 1863 C CYS B 55 12.410 0.538 -0.735 1.00 0.45 C ATOM 1864 O CYS B 55 13.544 0.090 -0.867 1.00 0.48 O ATOM 1865 CB CYS B 55 12.403 1.843 1.368 1.00 0.44 C ATOM 1866 SG CYS B 55 11.558 2.288 2.925 1.00 0.44 S ATOM 0 H CYS B 55 12.925 -0.875 1.439 1.00 0.45 H new ATOM 0 HA CYS B 55 10.688 0.858 0.527 1.00 0.44 H new ATOM 0 HB2 CYS B 55 13.441 1.594 1.587 1.00 0.44 H new ATOM 0 HB3 CYS B 55 12.415 2.712 0.710 1.00 0.44 H new ATOM 1871 N LEU B 56 11.693 1.029 -1.721 1.00 0.44 N ATOM 1872 CA LEU B 56 12.150 0.960 -3.105 1.00 0.47 C ATOM 1873 C LEU B 56 12.420 2.383 -3.606 1.00 0.48 C ATOM 1874 O LEU B 56 11.802 3.351 -3.151 1.00 0.46 O ATOM 1875 CB LEU B 56 11.021 0.225 -3.842 1.00 0.46 C ATOM 1876 CG LEU B 56 10.672 -1.198 -3.385 1.00 0.46 C ATOM 1877 CD1 LEU B 56 9.692 -1.811 -4.386 1.00 0.47 C ATOM 1878 CD2 LEU B 56 11.902 -2.095 -3.235 1.00 0.49 C ATOM 0 H LEU B 56 10.788 1.483 -1.597 1.00 0.44 H new ATOM 0 HA LEU B 56 13.088 0.426 -3.257 1.00 0.47 H new ATOM 0 HB2 LEU B 56 10.119 0.832 -3.763 1.00 0.46 H new ATOM 0 HB3 LEU B 56 11.284 0.182 -4.899 1.00 0.46 H new ATOM 0 HG LEU B 56 10.220 -1.128 -2.396 1.00 0.46 H new ATOM 0 HD11 LEU B 56 9.436 -2.823 -4.072 1.00 0.47 H new ATOM 0 HD12 LEU B 56 8.787 -1.204 -4.428 1.00 0.47 H new ATOM 0 HD13 LEU B 56 10.153 -1.843 -5.373 1.00 0.47 H new ATOM 0 HD21 LEU B 56 11.591 -3.088 -2.910 1.00 0.49 H new ATOM 0 HD22 LEU B 56 12.416 -2.172 -4.193 1.00 0.49 H new ATOM 0 HD23 LEU B 56 12.577 -1.666 -2.495 1.00 0.49 H new ATOM 1890 N ASP B 57 13.330 2.557 -4.555 1.00 0.50 N ATOM 1891 CA ASP B 57 13.592 3.897 -5.096 1.00 0.52 C ATOM 1892 C ASP B 57 12.918 4.073 -6.464 1.00 0.54 C ATOM 1893 O ASP B 57 13.410 3.548 -7.462 1.00 0.59 O ATOM 1894 CB ASP B 57 15.095 4.154 -5.234 1.00 0.57 C ATOM 1895 CG ASP B 57 15.490 5.563 -4.824 1.00 0.58 C ATOM 1896 OD1 ASP B 57 14.852 6.527 -5.300 1.00 0.60 O ATOM 1897 OD2 ASP B 57 16.442 5.703 -4.031 1.00 0.63 O ATOM 0 H ASP B 57 13.892 1.810 -4.963 1.00 0.50 H new ATOM 0 HA ASP B 57 13.175 4.619 -4.394 1.00 0.52 H new ATOM 0 HB2 ASP B 57 15.640 3.436 -4.621 1.00 0.57 H new ATOM 0 HB3 ASP B 57 15.395 3.983 -6.268 1.00 0.57 H new ATOM 1902 N PRO B 58 11.783 4.822 -6.526 1.00 0.55 N ATOM 1903 CA PRO B 58 11.042 5.070 -7.787 1.00 0.61 C ATOM 1904 C PRO B 58 11.929 5.640 -8.894 1.00 0.69 C ATOM 1905 O PRO B 58 11.578 5.608 -10.075 1.00 0.83 O ATOM 1906 CB PRO B 58 9.986 6.101 -7.386 1.00 0.64 C ATOM 1907 CG PRO B 58 9.812 5.945 -5.917 1.00 0.60 C ATOM 1908 CD PRO B 58 11.136 5.479 -5.374 1.00 0.57 C ATOM 0 HA PRO B 58 10.633 4.146 -8.195 1.00 0.61 H new ATOM 0 HB2 PRO B 58 10.309 7.111 -7.637 1.00 0.64 H new ATOM 0 HB3 PRO B 58 9.048 5.926 -7.913 1.00 0.64 H new ATOM 0 HG2 PRO B 58 9.516 6.889 -5.460 1.00 0.60 H new ATOM 0 HG3 PRO B 58 9.026 5.223 -5.694 1.00 0.60 H new ATOM 0 HD2 PRO B 58 11.732 6.314 -5.004 1.00 0.57 H new ATOM 0 HD3 PRO B 58 11.005 4.787 -4.542 1.00 0.57 H new ATOM 1916 N GLU B 59 13.077 6.157 -8.481 1.00 0.65 N ATOM 1917 CA GLU B 59 14.075 6.746 -9.383 1.00 0.77 C ATOM 1918 C GLU B 59 14.691 5.730 -10.371 1.00 0.82 C ATOM 1919 O GLU B 59 15.321 6.111 -11.355 1.00 0.91 O ATOM 1920 CB GLU B 59 15.164 7.407 -8.532 1.00 0.83 C ATOM 1921 CG GLU B 59 15.821 8.573 -9.271 1.00 1.10 C ATOM 1922 CD GLU B 59 16.822 9.326 -8.406 1.00 1.18 C ATOM 1923 OE1 GLU B 59 16.358 10.258 -7.719 1.00 1.28 O ATOM 1924 OE2 GLU B 59 18.017 8.953 -8.449 1.00 1.40 O ATOM 0 H GLU B 59 13.352 6.183 -7.499 1.00 0.65 H new ATOM 0 HA GLU B 59 13.570 7.483 -10.007 1.00 0.77 H new ATOM 0 HB2 GLU B 59 14.731 7.765 -7.598 1.00 0.83 H new ATOM 0 HB3 GLU B 59 15.921 6.668 -8.270 1.00 0.83 H new ATOM 0 HG2 GLU B 59 16.326 8.196 -10.160 1.00 1.10 H new ATOM 0 HG3 GLU B 59 15.049 9.263 -9.612 1.00 1.10 H new ATOM 1931 N ALA B 60 14.527 4.443 -10.089 1.00 0.80 N ATOM 1932 CA ALA B 60 15.081 3.384 -10.937 1.00 0.88 C ATOM 1933 C ALA B 60 13.994 2.794 -11.852 1.00 0.91 C ATOM 1934 O ALA B 60 12.917 2.425 -11.374 1.00 0.89 O ATOM 1935 CB ALA B 60 15.695 2.326 -10.023 1.00 0.88 C ATOM 0 H ALA B 60 14.013 4.102 -9.277 1.00 0.80 H new ATOM 0 HA ALA B 60 15.852 3.784 -11.595 1.00 0.88 H new ATOM 0 HB1 ALA B 60 16.116 1.523 -10.628 1.00 0.88 H new ATOM 0 HB2 ALA B 60 16.483 2.778 -9.421 1.00 0.88 H new ATOM 0 HB3 ALA B 60 14.925 1.920 -9.367 1.00 0.88 H new ATOM 1941 N PRO B 61 14.321 2.603 -13.136 1.00 0.99 N ATOM 1942 CA PRO B 61 13.385 2.070 -14.148 1.00 1.03 C ATOM 1943 C PRO B 61 12.960 0.620 -13.881 1.00 1.03 C ATOM 1944 O PRO B 61 11.768 0.321 -13.859 1.00 1.01 O ATOM 1945 CB PRO B 61 14.133 2.206 -15.475 1.00 1.15 C ATOM 1946 CG PRO B 61 15.602 2.084 -15.072 1.00 1.19 C ATOM 1947 CD PRO B 61 15.656 2.820 -13.733 1.00 1.07 C ATOM 0 HA PRO B 61 12.445 2.621 -14.138 1.00 1.03 H new ATOM 0 HB2 PRO B 61 13.844 1.426 -16.180 1.00 1.15 H new ATOM 0 HB3 PRO B 61 13.927 3.162 -15.956 1.00 1.15 H new ATOM 0 HG2 PRO B 61 15.908 1.042 -14.972 1.00 1.19 H new ATOM 0 HG3 PRO B 61 16.262 2.540 -15.810 1.00 1.19 H new ATOM 0 HD2 PRO B 61 16.445 2.424 -13.094 1.00 1.07 H new ATOM 0 HD3 PRO B 61 15.861 3.882 -13.872 1.00 1.07 H new ATOM 1955 N PHE B 62 13.923 -0.214 -13.479 1.00 1.06 N ATOM 1956 CA PHE B 62 13.662 -1.625 -13.118 1.00 1.08 C ATOM 1957 C PHE B 62 12.688 -1.740 -11.940 1.00 0.98 C ATOM 1958 O PHE B 62 11.923 -2.694 -11.836 1.00 0.98 O ATOM 1959 CB PHE B 62 14.960 -2.368 -12.784 1.00 1.15 C ATOM 1960 CG PHE B 62 15.672 -1.817 -11.544 1.00 1.11 C ATOM 1961 CD1 PHE B 62 15.356 -2.306 -10.285 1.00 1.07 C ATOM 1962 CD2 PHE B 62 16.658 -0.851 -11.694 1.00 1.14 C ATOM 1963 CE1 PHE B 62 16.024 -1.830 -9.170 1.00 1.07 C ATOM 1964 CE2 PHE B 62 17.338 -0.384 -10.578 1.00 1.14 C ATOM 1965 CZ PHE B 62 17.015 -0.866 -9.318 1.00 1.10 C ATOM 0 H PHE B 62 14.902 0.060 -13.392 1.00 1.06 H new ATOM 0 HA PHE B 62 13.205 -2.089 -13.992 1.00 1.08 H new ATOM 0 HB2 PHE B 62 14.736 -3.423 -12.627 1.00 1.15 H new ATOM 0 HB3 PHE B 62 15.635 -2.309 -13.638 1.00 1.15 H new ATOM 0 HD1 PHE B 62 14.589 -3.058 -10.175 1.00 1.07 H new ATOM 0 HD2 PHE B 62 16.895 -0.465 -12.674 1.00 1.14 H new ATOM 0 HE1 PHE B 62 15.776 -2.206 -8.188 1.00 1.07 H new ATOM 0 HE2 PHE B 62 18.118 0.354 -10.690 1.00 1.14 H new ATOM 0 HZ PHE B 62 17.535 -0.491 -8.449 1.00 1.10 H new ATOM 1975 N LEU B 63 12.692 -0.725 -11.087 1.00 0.90 N ATOM 1976 CA LEU B 63 11.808 -0.693 -9.938 1.00 0.80 C ATOM 1977 C LEU B 63 10.376 -0.390 -10.375 1.00 0.83 C ATOM 1978 O LEU B 63 9.422 -0.860 -9.762 1.00 0.83 O ATOM 1979 CB LEU B 63 12.294 0.355 -8.943 1.00 0.71 C ATOM 1980 CG LEU B 63 11.861 0.114 -7.504 1.00 0.64 C ATOM 1981 CD1 LEU B 63 13.087 0.035 -6.606 1.00 0.62 C ATOM 1982 CD2 LEU B 63 10.911 1.217 -7.053 1.00 0.62 C ATOM 0 H LEU B 63 13.301 0.088 -11.173 1.00 0.90 H new ATOM 0 HA LEU B 63 11.818 -1.671 -9.456 1.00 0.80 H new ATOM 0 HB2 LEU B 63 13.383 0.393 -8.979 1.00 0.71 H new ATOM 0 HB3 LEU B 63 11.930 1.333 -9.259 1.00 0.71 H new ATOM 0 HG LEU B 63 11.328 -0.834 -7.436 1.00 0.64 H new ATOM 0 HD11 LEU B 63 12.773 -0.138 -5.576 1.00 0.62 H new ATOM 0 HD12 LEU B 63 13.725 -0.786 -6.933 1.00 0.62 H new ATOM 0 HD13 LEU B 63 13.642 0.972 -6.664 1.00 0.62 H new ATOM 0 HD21 LEU B 63 10.607 1.036 -6.022 1.00 0.62 H new ATOM 0 HD22 LEU B 63 11.416 2.181 -7.118 1.00 0.62 H new ATOM 0 HD23 LEU B 63 10.030 1.224 -7.695 1.00 0.62 H new ATOM 1994 N LYS B 64 10.243 0.388 -11.450 1.00 0.87 N ATOM 1995 CA LYS B 64 8.935 0.755 -11.998 1.00 0.93 C ATOM 1996 C LYS B 64 8.249 -0.462 -12.631 1.00 0.97 C ATOM 1997 O LYS B 64 7.029 -0.515 -12.732 1.00 1.03 O ATOM 1998 CB LYS B 64 9.102 1.871 -13.035 1.00 1.02 C ATOM 1999 CG LYS B 64 7.790 2.444 -13.550 1.00 1.12 C ATOM 2000 CD LYS B 64 8.023 3.566 -14.554 1.00 1.30 C ATOM 2001 CE LYS B 64 8.699 3.061 -15.819 1.00 1.47 C ATOM 2002 NZ LYS B 64 8.863 4.142 -16.831 1.00 1.71 N ATOM 0 H LYS B 64 11.033 0.780 -11.963 1.00 0.87 H new ATOM 0 HA LYS B 64 8.304 1.114 -11.185 1.00 0.93 H new ATOM 0 HB2 LYS B 64 9.689 2.677 -12.594 1.00 1.02 H new ATOM 0 HB3 LYS B 64 9.673 1.485 -13.879 1.00 1.02 H new ATOM 0 HG2 LYS B 64 7.205 1.652 -14.018 1.00 1.12 H new ATOM 0 HG3 LYS B 64 7.203 2.821 -12.712 1.00 1.12 H new ATOM 0 HD2 LYS B 64 7.070 4.028 -14.811 1.00 1.30 H new ATOM 0 HD3 LYS B 64 8.639 4.340 -14.097 1.00 1.30 H new ATOM 0 HE2 LYS B 64 9.676 2.647 -15.568 1.00 1.47 H new ATOM 0 HE3 LYS B 64 8.110 2.250 -16.247 1.00 1.47 H new ATOM 0 HZ1 LYS B 64 9.328 3.757 -17.678 1.00 1.71 H new ATOM 0 HZ2 LYS B 64 7.929 4.520 -17.090 1.00 1.71 H new ATOM 0 HZ3 LYS B 64 9.447 4.905 -16.433 1.00 1.71 H new ATOM 2016 N LYS B 65 9.060 -1.427 -13.048 1.00 0.98 N ATOM 2017 CA LYS B 65 8.589 -2.677 -13.669 1.00 1.04 C ATOM 2018 C LYS B 65 7.940 -3.637 -12.668 1.00 1.02 C ATOM 2019 O LYS B 65 6.751 -3.936 -12.773 1.00 1.07 O ATOM 2020 CB LYS B 65 9.758 -3.377 -14.351 1.00 1.07 C ATOM 2021 CG LYS B 65 10.302 -2.551 -15.516 1.00 1.14 C ATOM 2022 CD LYS B 65 11.396 -3.315 -16.266 1.00 1.20 C ATOM 2023 CE LYS B 65 10.869 -4.578 -16.959 1.00 1.27 C ATOM 2024 NZ LYS B 65 9.874 -4.255 -17.991 1.00 1.36 N ATOM 0 H LYS B 65 10.075 -1.371 -12.967 1.00 0.98 H new ATOM 0 HA LYS B 65 7.823 -2.402 -14.394 1.00 1.04 H new ATOM 0 HB2 LYS B 65 10.552 -3.552 -13.625 1.00 1.07 H new ATOM 0 HB3 LYS B 65 9.437 -4.353 -14.714 1.00 1.07 H new ATOM 0 HG2 LYS B 65 9.491 -2.304 -16.201 1.00 1.14 H new ATOM 0 HG3 LYS B 65 10.702 -1.608 -15.143 1.00 1.14 H new ATOM 0 HD2 LYS B 65 11.846 -2.658 -17.010 1.00 1.20 H new ATOM 0 HD3 LYS B 65 12.185 -3.592 -15.566 1.00 1.20 H new ATOM 0 HE2 LYS B 65 11.700 -5.119 -17.411 1.00 1.27 H new ATOM 0 HE3 LYS B 65 10.423 -5.241 -16.218 1.00 1.27 H new ATOM 0 HZ1 LYS B 65 9.678 -5.102 -18.562 1.00 1.36 H new ATOM 0 HZ2 LYS B 65 8.995 -3.932 -17.537 1.00 1.36 H new ATOM 0 HZ3 LYS B 65 10.243 -3.501 -18.605 1.00 1.36 H new ATOM 2038 N VAL B 66 8.682 -3.976 -11.616 1.00 0.96 N ATOM 2039 CA VAL B 66 8.165 -4.850 -10.569 1.00 0.95 C ATOM 2040 C VAL B 66 6.955 -4.216 -9.862 1.00 0.95 C ATOM 2041 O VAL B 66 6.075 -4.932 -9.389 1.00 0.97 O ATOM 2042 CB VAL B 66 9.249 -5.215 -9.531 1.00 0.92 C ATOM 2043 CG1 VAL B 66 10.460 -5.816 -10.225 1.00 0.93 C ATOM 2044 CG2 VAL B 66 9.655 -4.007 -8.696 1.00 0.91 C ATOM 0 H VAL B 66 9.640 -3.659 -11.467 1.00 0.96 H new ATOM 0 HA VAL B 66 7.845 -5.769 -11.060 1.00 0.95 H new ATOM 0 HB VAL B 66 8.826 -5.956 -8.852 1.00 0.92 H new ATOM 0 HG11 VAL B 66 11.217 -6.069 -9.482 1.00 0.93 H new ATOM 0 HG12 VAL B 66 10.162 -6.717 -10.761 1.00 0.93 H new ATOM 0 HG13 VAL B 66 10.871 -5.094 -10.930 1.00 0.93 H new ATOM 0 HG21 VAL B 66 10.419 -4.302 -7.977 1.00 0.91 H new ATOM 0 HG22 VAL B 66 10.052 -3.230 -9.349 1.00 0.91 H new ATOM 0 HG23 VAL B 66 8.785 -3.623 -8.164 1.00 0.91 H new ATOM 2054 N ILE B 67 6.902 -2.873 -9.796 1.00 0.95 N ATOM 2055 CA ILE B 67 5.767 -2.197 -9.162 1.00 0.97 C ATOM 2056 C ILE B 67 4.628 -2.026 -10.164 1.00 1.02 C ATOM 2057 O ILE B 67 3.480 -1.810 -9.782 1.00 1.08 O ATOM 2058 CB ILE B 67 6.116 -0.822 -8.535 1.00 0.99 C ATOM 2059 CG1 ILE B 67 6.430 0.221 -9.614 1.00 1.00 C ATOM 2060 CG2 ILE B 67 7.272 -0.959 -7.554 1.00 0.98 C ATOM 2061 CD1 ILE B 67 6.610 1.622 -9.069 1.00 1.07 C ATOM 0 H ILE B 67 7.619 -2.249 -10.167 1.00 0.95 H new ATOM 0 HA ILE B 67 5.462 -2.843 -8.339 1.00 0.97 H new ATOM 0 HB ILE B 67 5.242 -0.472 -7.987 1.00 0.99 H new ATOM 0 HG12 ILE B 67 7.338 -0.075 -10.140 1.00 1.00 H new ATOM 0 HG13 ILE B 67 5.624 0.226 -10.348 1.00 1.00 H new ATOM 0 HG21 ILE B 67 7.502 0.016 -7.125 1.00 0.98 H new ATOM 0 HG22 ILE B 67 6.994 -1.650 -6.758 1.00 0.98 H new ATOM 0 HG23 ILE B 67 8.149 -1.342 -8.076 1.00 0.98 H new ATOM 0 HD11 ILE B 67 6.830 2.306 -9.889 1.00 1.07 H new ATOM 0 HD12 ILE B 67 5.695 1.938 -8.568 1.00 1.07 H new ATOM 0 HD13 ILE B 67 7.435 1.632 -8.357 1.00 1.07 H new ATOM 2073 N GLN B 68 4.955 -2.089 -11.453 1.00 1.04 N ATOM 2074 CA GLN B 68 3.920 -2.015 -12.499 1.00 1.12 C ATOM 2075 C GLN B 68 3.159 -3.345 -12.598 1.00 1.11 C ATOM 2076 O GLN B 68 1.927 -3.361 -12.643 1.00 1.15 O ATOM 2077 CB GLN B 68 4.567 -1.684 -13.837 1.00 1.19 C ATOM 2078 CG GLN B 68 3.507 -1.412 -14.896 1.00 1.30 C ATOM 2079 CD GLN B 68 4.163 -1.054 -16.224 1.00 1.39 C ATOM 2080 OE1 GLN B 68 4.992 -1.758 -16.778 1.00 1.39 O ATOM 2081 NE2 GLN B 68 3.738 0.067 -16.755 1.00 1.52 N ATOM 0 H GLN B 68 5.909 -2.189 -11.801 1.00 1.04 H new ATOM 0 HA GLN B 68 3.211 -1.230 -12.237 1.00 1.12 H new ATOM 0 HB2 GLN B 68 5.212 -0.812 -13.729 1.00 1.19 H new ATOM 0 HB3 GLN B 68 5.201 -2.512 -14.154 1.00 1.19 H new ATOM 0 HG2 GLN B 68 2.874 -2.291 -15.021 1.00 1.30 H new ATOM 0 HG3 GLN B 68 2.860 -0.597 -14.571 1.00 1.30 H new ATOM 0 HE21 GLN B 68 3.044 0.632 -16.266 1.00 1.52 H new ATOM 0 HE22 GLN B 68 4.101 0.374 -17.657 1.00 1.52 H new ATOM 2090 N LYS B 69 3.910 -4.446 -12.509 1.00 1.10 N ATOM 2091 CA LYS B 69 3.354 -5.801 -12.592 1.00 1.13 C ATOM 2092 C LYS B 69 2.371 -6.123 -11.460 1.00 1.15 C ATOM 2093 O LYS B 69 1.453 -6.916 -11.659 1.00 1.23 O ATOM 2094 CB LYS B 69 4.485 -6.833 -12.581 1.00 1.11 C ATOM 2095 CG LYS B 69 5.320 -6.848 -13.851 1.00 1.16 C ATOM 2096 CD LYS B 69 6.315 -7.999 -13.844 1.00 1.24 C ATOM 2097 CE LYS B 69 7.098 -8.069 -15.145 1.00 1.40 C ATOM 2098 NZ LYS B 69 7.999 -9.254 -15.189 1.00 1.61 N ATOM 0 H LYS B 69 4.921 -4.424 -12.377 1.00 1.10 H new ATOM 0 HA LYS B 69 2.798 -5.847 -13.528 1.00 1.13 H new ATOM 0 HB2 LYS B 69 5.138 -6.632 -11.731 1.00 1.11 H new ATOM 0 HB3 LYS B 69 4.058 -7.824 -12.428 1.00 1.11 H new ATOM 0 HG2 LYS B 69 4.665 -6.935 -14.718 1.00 1.16 H new ATOM 0 HG3 LYS B 69 5.854 -5.903 -13.949 1.00 1.16 H new ATOM 0 HD2 LYS B 69 7.005 -7.879 -13.009 1.00 1.24 H new ATOM 0 HD3 LYS B 69 5.785 -8.938 -13.687 1.00 1.24 H new ATOM 0 HE2 LYS B 69 6.404 -8.110 -15.984 1.00 1.40 H new ATOM 0 HE3 LYS B 69 7.688 -7.160 -15.263 1.00 1.40 H new ATOM 0 HZ1 LYS B 69 8.515 -9.265 -16.092 1.00 1.61 H new ATOM 0 HZ2 LYS B 69 8.678 -9.203 -14.403 1.00 1.61 H new ATOM 0 HZ3 LYS B 69 7.434 -10.123 -15.102 1.00 1.61 H new ATOM 2112 N ILE B 70 2.554 -5.529 -10.275 1.00 1.14 N ATOM 2113 CA ILE B 70 1.649 -5.799 -9.149 1.00 1.20 C ATOM 2114 C ILE B 70 0.289 -5.137 -9.350 1.00 1.31 C ATOM 2115 O ILE B 70 -0.676 -5.456 -8.655 1.00 1.43 O ATOM 2116 CB ILE B 70 2.230 -5.346 -7.790 1.00 1.18 C ATOM 2117 CG1 ILE B 70 2.585 -3.859 -7.818 1.00 1.17 C ATOM 2118 CG2 ILE B 70 3.441 -6.185 -7.422 1.00 1.29 C ATOM 2119 CD1 ILE B 70 3.212 -3.355 -6.534 1.00 1.30 C ATOM 0 H ILE B 70 3.305 -4.870 -10.071 1.00 1.14 H new ATOM 0 HA ILE B 70 1.530 -6.882 -9.127 1.00 1.20 H new ATOM 0 HB ILE B 70 1.467 -5.494 -7.026 1.00 1.18 H new ATOM 0 HG12 ILE B 70 3.272 -3.675 -8.644 1.00 1.17 H new ATOM 0 HG13 ILE B 70 1.682 -3.283 -8.021 1.00 1.17 H new ATOM 0 HG21 ILE B 70 3.837 -5.852 -6.463 1.00 1.29 H new ATOM 0 HG22 ILE B 70 3.149 -7.233 -7.350 1.00 1.29 H new ATOM 0 HG23 ILE B 70 4.208 -6.073 -8.189 1.00 1.29 H new ATOM 0 HD11 ILE B 70 3.436 -2.293 -6.631 1.00 1.30 H new ATOM 0 HD12 ILE B 70 2.518 -3.506 -5.707 1.00 1.30 H new ATOM 0 HD13 ILE B 70 4.134 -3.903 -6.339 1.00 1.30 H new