USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1049 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 THR OG1 : rot 144:sc= 1.07 USER MOD Set 1.2: A 139 LYS NZ :NH3+ 163:sc= 1.31 (180deg=0) USER MOD Set 2.1: A 115 THR OG1 : rot -85:sc= 1.08 USER MOD Set 2.2: A 137 THR OG1 : rot 180:sc= 0.938 USER MOD Set 3.1: A 111 ASN : amide:sc= 0.89 K(o=2,f=-4.3!) USER MOD Set 3.2: A 141 THR OG1 : rot -51:sc= 1.06 USER MOD Set 4.1: A 104 GLN : amide:sc= -2.21! K(o=-1.1!,f=-3.2) USER MOD Set 4.2: A 107 THR OG1 : rot -147:sc= 1.16 USER MOD Set 5.1: A 64 LYS NZ :NH3+ -160:sc= 1.18 (180deg=0.928) USER MOD Set 5.2: A 66 TYR OH : rot 180:sc= -0.363 USER MOD Single : A 1 GLU N :NH3+ -121:sc= 0.137 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0.352 K(o=0.35,f=-3.3!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0178 USER MOD Single : A 18 GLN : amide:sc= 0.344 X(o=0.34,f=-0.047) USER MOD Single : A 20 THR OG1 : rot -17:sc= 0.861 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.0861 K(o=-0.086,f=-9.9!) USER MOD Single : A 36 ASN :FLIP amide:sc= -0.031 F(o=-1.1,f=-0.031) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.496 F(o=-2!,f=-0.5) USER MOD Single : A 43 LYS NZ :NH3+ -153:sc= -4.08! (180deg=-5.41!) USER MOD Single : A 46 THR OG1 : rot -27:sc= 0.0559 USER MOD Single : A 48 ASN : amide:sc= -5.21! C(o=-5.2!,f=-7.3!) USER MOD Single : A 51 GLN :FLIP amide:sc= -0.0891 F(o=-1.7!,f=-0.089) USER MOD Single : A 53 LYS NZ :NH3+ 166:sc= -0.0383 (180deg=-0.257) USER MOD Single : A 58 SER OG : rot 29:sc= 1.6 USER MOD Single : A 60 ASN : amide:sc= 0.0516 K(o=0.052,f=-0.9) USER MOD Single : A 61 ASN : amide:sc= -0.383 K(o=-0.38,f=-3.3!) USER MOD Single : A 68 ASN : amide:sc= -0.27 K(o=-0.27,f=-6.7!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.465! C(o=-0.46!,f=-8.4!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 74:sc= 0.25 USER MOD Single : A 81 ASN :FLIP amide:sc= -0.0434 F(o=-0.71,f=-0.043) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -155:sc= 2.5 (180deg=0.525) USER MOD Single : A 87 ASN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 91 SER OG : rot -55:sc= 1.21 USER MOD Single : A 95 THR OG1 : rot 36:sc= 0.0137 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN :FLIP amide:sc= -0.0413 F(o=-1.3!,f=-0.041) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -1.62 K(o=-1.6,f=-12!) USER MOD Single : A 112 TYR OH : rot 172:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 180:sc= -0.0474 USER MOD Single : A 123 LYS NZ :NH3+ -160:sc= 1.14 (180deg=0.526) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 130 THR OG1 : rot 180:sc= -0.0719 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 THR OG1 : rot -8:sc= -0.556 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -22.910 2.577 -11.247 1.00 4.07 N ATOM 2 CA GLU A 1 -21.687 3.386 -11.065 1.00 3.34 C ATOM 3 C GLU A 1 -20.500 2.491 -10.751 1.00 2.61 C ATOM 4 O GLU A 1 -20.610 1.266 -10.793 1.00 3.01 O ATOM 5 CB GLU A 1 -21.893 4.422 -9.962 1.00 4.00 C ATOM 6 CG GLU A 1 -22.720 5.613 -10.416 1.00 4.80 C ATOM 7 CD GLU A 1 -22.051 6.372 -11.544 1.00 5.32 C ATOM 8 OE1 GLU A 1 -22.052 5.868 -12.684 1.00 5.64 O ATOM 9 OE2 GLU A 1 -21.556 7.489 -11.304 1.00 5.73 O ATOM 0 H1 GLU A 1 -23.296 2.740 -12.199 1.00 4.07 H new ATOM 0 H2 GLU A 1 -22.679 1.569 -11.135 1.00 4.07 H new ATOM 0 H3 GLU A 1 -23.617 2.851 -10.535 1.00 4.07 H new ATOM 0 HA GLU A 1 -21.478 3.915 -11.995 1.00 3.34 H new ATOM 0 HB2 GLU A 1 -22.384 3.948 -9.112 1.00 4.00 H new ATOM 0 HB3 GLU A 1 -20.921 4.772 -9.614 1.00 4.00 H new ATOM 0 HG2 GLU A 1 -23.702 5.269 -10.742 1.00 4.80 H new ATOM 0 HG3 GLU A 1 -22.882 6.285 -9.573 1.00 4.80 H new ATOM 16 N GLU A 2 -19.366 3.100 -10.439 1.00 1.89 N ATOM 17 CA GLU A 2 -18.141 2.352 -10.247 1.00 1.43 C ATOM 18 C GLU A 2 -17.503 2.685 -8.905 1.00 1.13 C ATOM 19 O GLU A 2 -17.559 3.825 -8.446 1.00 1.31 O ATOM 20 CB GLU A 2 -17.166 2.665 -11.386 1.00 1.72 C ATOM 21 CG GLU A 2 -15.895 1.835 -11.361 1.00 1.73 C ATOM 22 CD GLU A 2 -14.976 2.160 -12.515 1.00 2.37 C ATOM 23 OE1 GLU A 2 -15.422 2.083 -13.677 1.00 2.54 O ATOM 24 OE2 GLU A 2 -13.807 2.512 -12.265 1.00 3.08 O ATOM 0 H GLU A 2 -19.272 4.108 -10.314 1.00 1.89 H new ATOM 0 HA GLU A 2 -18.378 1.288 -10.253 1.00 1.43 H new ATOM 0 HB2 GLU A 2 -17.673 2.505 -12.338 1.00 1.72 H new ATOM 0 HB3 GLU A 2 -16.898 3.721 -11.341 1.00 1.72 H new ATOM 0 HG2 GLU A 2 -15.370 2.007 -10.421 1.00 1.73 H new ATOM 0 HG3 GLU A 2 -16.154 0.777 -11.392 1.00 1.73 H new ATOM 31 N CYS A 3 -16.921 1.677 -8.276 1.00 1.08 N ATOM 32 CA CYS A 3 -16.129 1.873 -7.074 1.00 0.96 C ATOM 33 C CYS A 3 -14.658 1.818 -7.455 1.00 0.83 C ATOM 34 O CYS A 3 -14.056 0.743 -7.505 1.00 0.96 O ATOM 35 CB CYS A 3 -16.460 0.805 -6.026 1.00 1.25 C ATOM 36 SG CYS A 3 -15.489 0.908 -4.480 1.00 1.43 S ATOM 0 H CYS A 3 -16.984 0.706 -8.582 1.00 1.08 H new ATOM 0 HA CYS A 3 -16.360 2.843 -6.634 1.00 0.96 H new ATOM 0 HB2 CYS A 3 -17.519 0.878 -5.777 1.00 1.25 H new ATOM 0 HB3 CYS A 3 -16.304 -0.178 -6.470 1.00 1.25 H new ATOM 41 N GLN A 4 -14.102 2.975 -7.762 1.00 0.67 N ATOM 42 CA GLN A 4 -12.760 3.055 -8.302 1.00 0.59 C ATOM 43 C GLN A 4 -11.782 3.627 -7.288 1.00 0.54 C ATOM 44 O GLN A 4 -11.934 4.759 -6.822 1.00 0.53 O ATOM 45 CB GLN A 4 -12.769 3.900 -9.579 1.00 0.59 C ATOM 46 CG GLN A 4 -11.386 4.315 -10.050 1.00 1.45 C ATOM 47 CD GLN A 4 -11.411 5.115 -11.336 1.00 1.65 C ATOM 48 OE1 GLN A 4 -10.574 5.990 -11.544 1.00 2.29 O ATOM 49 NE2 GLN A 4 -12.345 4.805 -12.220 1.00 1.92 N ATOM 0 H GLN A 4 -14.563 3.877 -7.645 1.00 0.67 H new ATOM 0 HA GLN A 4 -12.426 2.045 -8.540 1.00 0.59 H new ATOM 0 HB2 GLN A 4 -13.259 3.336 -10.373 1.00 0.59 H new ATOM 0 HB3 GLN A 4 -13.368 4.795 -9.407 1.00 0.59 H new ATOM 0 HG2 GLN A 4 -10.906 4.906 -9.271 1.00 1.45 H new ATOM 0 HG3 GLN A 4 -10.776 3.424 -10.195 1.00 1.45 H new ATOM 0 HE21 GLN A 4 -13.023 4.072 -12.010 1.00 1.92 H new ATOM 0 HE22 GLN A 4 -12.388 5.299 -13.111 1.00 1.92 H new ATOM 58 N VAL A 5 -10.779 2.832 -6.947 1.00 0.56 N ATOM 59 CA VAL A 5 -9.706 3.300 -6.094 1.00 0.57 C ATOM 60 C VAL A 5 -8.585 3.854 -6.964 1.00 0.57 C ATOM 61 O VAL A 5 -7.928 3.110 -7.699 1.00 0.66 O ATOM 62 CB VAL A 5 -9.158 2.174 -5.183 1.00 0.68 C ATOM 63 CG1 VAL A 5 -8.165 2.732 -4.177 1.00 1.00 C ATOM 64 CG2 VAL A 5 -10.301 1.455 -4.478 1.00 1.51 C ATOM 0 H VAL A 5 -10.689 1.862 -7.249 1.00 0.56 H new ATOM 0 HA VAL A 5 -10.103 4.080 -5.444 1.00 0.57 H new ATOM 0 HB VAL A 5 -8.634 1.450 -5.807 1.00 0.68 H new ATOM 0 HG11 VAL A 5 -7.792 1.924 -3.547 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -7.331 3.193 -4.706 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -8.658 3.479 -3.555 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -9.898 0.667 -3.842 1.00 1.51 H new ATOM 0 HG22 VAL A 5 -10.856 2.166 -3.867 1.00 1.51 H new ATOM 0 HG23 VAL A 5 -10.968 1.017 -5.220 1.00 1.51 H new ATOM 74 N ARG A 6 -8.389 5.162 -6.904 1.00 0.57 N ATOM 75 CA ARG A 6 -7.382 5.819 -7.724 1.00 0.64 C ATOM 76 C ARG A 6 -6.027 5.835 -7.041 1.00 0.58 C ATOM 77 O ARG A 6 -5.828 6.533 -6.044 1.00 0.65 O ATOM 78 CB ARG A 6 -7.801 7.247 -8.070 1.00 0.80 C ATOM 79 CG ARG A 6 -8.754 7.331 -9.247 1.00 1.47 C ATOM 80 CD ARG A 6 -9.070 8.774 -9.596 1.00 1.67 C ATOM 81 NE ARG A 6 -9.713 8.894 -10.901 1.00 1.92 N ATOM 82 CZ ARG A 6 -10.198 10.033 -11.393 1.00 2.75 C ATOM 83 NH1 ARG A 6 -10.208 11.140 -10.656 1.00 3.23 N ATOM 84 NH2 ARG A 6 -10.688 10.057 -12.624 1.00 3.57 N ATOM 0 H ARG A 6 -8.914 5.790 -6.296 1.00 0.57 H new ATOM 0 HA ARG A 6 -7.296 5.242 -8.645 1.00 0.64 H new ATOM 0 HB2 ARG A 6 -8.273 7.700 -7.198 1.00 0.80 H new ATOM 0 HB3 ARG A 6 -6.910 7.835 -8.292 1.00 0.80 H new ATOM 0 HG2 ARG A 6 -8.314 6.833 -10.111 1.00 1.47 H new ATOM 0 HG3 ARG A 6 -9.677 6.801 -9.010 1.00 1.47 H new ATOM 0 HD2 ARG A 6 -9.721 9.198 -8.831 1.00 1.67 H new ATOM 0 HD3 ARG A 6 -8.150 9.358 -9.590 1.00 1.67 H new ATOM 0 HE ARG A 6 -9.796 8.053 -11.472 1.00 1.92 H new ATOM 0 HH11 ARG A 6 -9.842 11.122 -9.704 1.00 3.23 H new ATOM 0 HH12 ARG A 6 -10.582 12.007 -11.043 1.00 3.23 H new ATOM 0 HH21 ARG A 6 -10.692 9.207 -13.188 1.00 3.57 H new ATOM 0 HH22 ARG A 6 -11.061 10.925 -13.008 1.00 3.57 H new ATOM 98 N VAL A 7 -5.113 5.045 -7.580 1.00 0.58 N ATOM 99 CA VAL A 7 -3.731 5.041 -7.135 1.00 0.57 C ATOM 100 C VAL A 7 -2.820 5.289 -8.331 1.00 0.68 C ATOM 101 O VAL A 7 -2.784 4.488 -9.265 1.00 0.85 O ATOM 102 CB VAL A 7 -3.339 3.698 -6.474 1.00 0.64 C ATOM 103 CG1 VAL A 7 -1.906 3.742 -5.960 1.00 1.20 C ATOM 104 CG2 VAL A 7 -4.298 3.349 -5.345 1.00 1.26 C ATOM 0 H VAL A 7 -5.309 4.390 -8.337 1.00 0.58 H new ATOM 0 HA VAL A 7 -3.618 5.829 -6.390 1.00 0.57 H new ATOM 0 HB VAL A 7 -3.406 2.920 -7.234 1.00 0.64 H new ATOM 0 HG11 VAL A 7 -1.655 2.786 -5.500 1.00 1.20 H new ATOM 0 HG12 VAL A 7 -1.227 3.934 -6.791 1.00 1.20 H new ATOM 0 HG13 VAL A 7 -1.809 4.537 -5.221 1.00 1.20 H new ATOM 0 HG21 VAL A 7 -4.002 2.401 -4.896 1.00 1.26 H new ATOM 0 HG22 VAL A 7 -4.270 4.133 -4.588 1.00 1.26 H new ATOM 0 HG23 VAL A 7 -5.310 3.263 -5.741 1.00 1.26 H new ATOM 114 N GLY A 8 -2.115 6.409 -8.314 1.00 0.77 N ATOM 115 CA GLY A 8 -1.215 6.730 -9.402 1.00 0.96 C ATOM 116 C GLY A 8 0.210 6.327 -9.095 1.00 0.75 C ATOM 117 O GLY A 8 0.489 5.776 -8.027 1.00 0.86 O ATOM 0 H GLY A 8 -2.150 7.102 -7.566 1.00 0.77 H new ATOM 0 HA2 GLY A 8 -1.547 6.225 -10.309 1.00 0.96 H new ATOM 0 HA3 GLY A 8 -1.254 7.801 -9.601 1.00 0.96 H new ATOM 121 N ASP A 9 1.115 6.591 -10.026 1.00 0.57 N ATOM 122 CA ASP A 9 2.522 6.278 -9.822 1.00 0.45 C ATOM 123 C ASP A 9 3.275 7.527 -9.392 1.00 0.50 C ATOM 124 O ASP A 9 2.931 8.641 -9.788 1.00 0.73 O ATOM 125 CB ASP A 9 3.156 5.698 -11.094 1.00 0.56 C ATOM 126 CG ASP A 9 3.408 6.737 -12.173 1.00 1.37 C ATOM 127 OD1 ASP A 9 2.433 7.189 -12.819 1.00 1.77 O ATOM 128 OD2 ASP A 9 4.586 7.098 -12.391 1.00 2.18 O ATOM 0 H ASP A 9 0.902 7.019 -10.927 1.00 0.57 H new ATOM 0 HA ASP A 9 2.589 5.525 -9.037 1.00 0.45 H new ATOM 0 HB2 ASP A 9 4.100 5.219 -10.834 1.00 0.56 H new ATOM 0 HB3 ASP A 9 2.504 4.921 -11.494 1.00 0.56 H new ATOM 133 N LEU A 10 4.288 7.336 -8.567 1.00 0.52 N ATOM 134 CA LEU A 10 5.093 8.438 -8.065 1.00 0.65 C ATOM 135 C LEU A 10 6.450 7.913 -7.630 1.00 0.49 C ATOM 136 O LEU A 10 6.559 6.776 -7.174 1.00 0.57 O ATOM 137 CB LEU A 10 4.402 9.146 -6.889 1.00 0.95 C ATOM 138 CG LEU A 10 4.198 8.305 -5.621 1.00 0.76 C ATOM 139 CD1 LEU A 10 3.947 9.209 -4.425 1.00 1.05 C ATOM 140 CD2 LEU A 10 3.037 7.330 -5.787 1.00 1.41 C ATOM 0 H LEU A 10 4.576 6.419 -8.227 1.00 0.52 H new ATOM 0 HA LEU A 10 5.217 9.167 -8.866 1.00 0.65 H new ATOM 0 HB2 LEU A 10 4.988 10.027 -6.626 1.00 0.95 H new ATOM 0 HB3 LEU A 10 3.428 9.500 -7.226 1.00 0.95 H new ATOM 0 HG LEU A 10 5.107 7.728 -5.451 1.00 0.76 H new ATOM 0 HD11 LEU A 10 3.804 8.600 -3.532 1.00 1.05 H new ATOM 0 HD12 LEU A 10 4.803 9.868 -4.281 1.00 1.05 H new ATOM 0 HD13 LEU A 10 3.054 9.808 -4.603 1.00 1.05 H new ATOM 0 HD21 LEU A 10 2.917 6.748 -4.873 1.00 1.41 H new ATOM 0 HD22 LEU A 10 2.121 7.886 -5.987 1.00 1.41 H new ATOM 0 HD23 LEU A 10 3.242 6.658 -6.620 1.00 1.41 H new ATOM 152 N THR A 11 7.479 8.727 -7.782 1.00 0.49 N ATOM 153 CA THR A 11 8.826 8.319 -7.424 1.00 0.47 C ATOM 154 C THR A 11 9.380 9.184 -6.299 1.00 0.53 C ATOM 155 O THR A 11 9.532 10.400 -6.450 1.00 0.66 O ATOM 156 CB THR A 11 9.773 8.393 -8.636 1.00 0.63 C ATOM 157 OG1 THR A 11 9.234 7.629 -9.725 1.00 1.03 O ATOM 158 CG2 THR A 11 11.159 7.866 -8.283 1.00 0.99 C ATOM 0 H THR A 11 7.408 9.675 -8.151 1.00 0.49 H new ATOM 0 HA THR A 11 8.767 7.285 -7.084 1.00 0.47 H new ATOM 0 HB THR A 11 9.865 9.439 -8.930 1.00 0.63 H new ATOM 0 HG1 THR A 11 9.437 8.078 -10.572 1.00 1.03 H new ATOM 0 HG21 THR A 11 11.806 7.930 -9.158 1.00 0.99 H new ATOM 0 HG22 THR A 11 11.581 8.464 -7.475 1.00 0.99 H new ATOM 0 HG23 THR A 11 11.083 6.827 -7.964 1.00 0.99 H new ATOM 166 N VAL A 12 9.670 8.551 -5.172 1.00 0.52 N ATOM 167 CA VAL A 12 10.277 9.235 -4.041 1.00 0.63 C ATOM 168 C VAL A 12 11.667 8.669 -3.794 1.00 0.48 C ATOM 169 O VAL A 12 11.815 7.523 -3.364 1.00 0.57 O ATOM 170 CB VAL A 12 9.440 9.096 -2.753 1.00 0.82 C ATOM 171 CG1 VAL A 12 9.951 10.044 -1.678 1.00 1.45 C ATOM 172 CG2 VAL A 12 7.964 9.339 -3.030 1.00 1.45 C ATOM 0 H VAL A 12 9.493 7.559 -5.017 1.00 0.52 H new ATOM 0 HA VAL A 12 10.329 10.295 -4.291 1.00 0.63 H new ATOM 0 HB VAL A 12 9.547 8.074 -2.389 1.00 0.82 H new ATOM 0 HG11 VAL A 12 9.348 9.931 -0.777 1.00 1.45 H new ATOM 0 HG12 VAL A 12 10.991 9.809 -1.450 1.00 1.45 H new ATOM 0 HG13 VAL A 12 9.881 11.071 -2.036 1.00 1.45 H new ATOM 0 HG21 VAL A 12 7.398 9.234 -2.104 1.00 1.45 H new ATOM 0 HG22 VAL A 12 7.829 10.345 -3.426 1.00 1.45 H new ATOM 0 HG23 VAL A 12 7.606 8.611 -3.758 1.00 1.45 H new ATOM 182 N ALA A 13 12.681 9.462 -4.089 1.00 0.44 N ATOM 183 CA ALA A 13 14.054 9.015 -3.946 1.00 0.43 C ATOM 184 C ALA A 13 14.540 9.179 -2.511 1.00 0.45 C ATOM 185 O ALA A 13 14.975 10.261 -2.118 1.00 0.57 O ATOM 186 CB ALA A 13 14.948 9.778 -4.904 1.00 0.59 C ATOM 0 H ALA A 13 12.579 10.418 -4.429 1.00 0.44 H new ATOM 0 HA ALA A 13 14.098 7.954 -4.190 1.00 0.43 H new ATOM 0 HB1 ALA A 13 15.977 9.437 -4.791 1.00 0.59 H new ATOM 0 HB2 ALA A 13 14.618 9.602 -5.928 1.00 0.59 H new ATOM 0 HB3 ALA A 13 14.892 10.844 -4.683 1.00 0.59 H new ATOM 192 N LYS A 14 14.468 8.097 -1.739 1.00 0.43 N ATOM 193 CA LYS A 14 14.855 8.116 -0.331 1.00 0.50 C ATOM 194 C LYS A 14 15.382 6.756 0.107 1.00 0.41 C ATOM 195 O LYS A 14 15.432 5.807 -0.680 1.00 0.41 O ATOM 196 CB LYS A 14 13.666 8.504 0.563 1.00 0.67 C ATOM 197 CG LYS A 14 13.186 9.935 0.377 1.00 1.47 C ATOM 198 CD LYS A 14 14.268 10.934 0.739 1.00 2.23 C ATOM 199 CE LYS A 14 13.922 12.326 0.246 1.00 2.52 C ATOM 200 NZ LYS A 14 15.048 13.273 0.457 1.00 3.42 N ATOM 0 H LYS A 14 14.142 7.189 -2.069 1.00 0.43 H new ATOM 0 HA LYS A 14 15.644 8.861 -0.223 1.00 0.50 H new ATOM 0 HB2 LYS A 14 12.837 7.826 0.360 1.00 0.67 H new ATOM 0 HB3 LYS A 14 13.948 8.360 1.606 1.00 0.67 H new ATOM 0 HG2 LYS A 14 12.881 10.086 -0.658 1.00 1.47 H new ATOM 0 HG3 LYS A 14 12.306 10.109 0.997 1.00 1.47 H new ATOM 0 HD2 LYS A 14 14.402 10.952 1.821 1.00 2.23 H new ATOM 0 HD3 LYS A 14 15.217 10.618 0.306 1.00 2.23 H new ATOM 0 HE2 LYS A 14 13.672 12.286 -0.814 1.00 2.52 H new ATOM 0 HE3 LYS A 14 13.037 12.689 0.769 1.00 2.52 H new ATOM 0 HZ1 LYS A 14 14.779 14.215 0.109 1.00 3.42 H new ATOM 0 HZ2 LYS A 14 15.269 13.329 1.472 1.00 3.42 H new ATOM 0 HZ3 LYS A 14 15.885 12.938 -0.062 1.00 3.42 H new ATOM 214 N THR A 15 15.773 6.670 1.370 1.00 0.46 N ATOM 215 CA THR A 15 16.222 5.420 1.956 1.00 0.44 C ATOM 216 C THR A 15 15.108 4.817 2.810 1.00 0.44 C ATOM 217 O THR A 15 14.129 5.488 3.110 1.00 0.50 O ATOM 218 CB THR A 15 17.474 5.636 2.830 1.00 0.49 C ATOM 219 OG1 THR A 15 17.205 6.624 3.833 1.00 0.63 O ATOM 220 CG2 THR A 15 18.658 6.075 1.985 1.00 0.52 C ATOM 0 H THR A 15 15.787 7.462 2.013 1.00 0.46 H new ATOM 0 HA THR A 15 16.477 4.738 1.144 1.00 0.44 H new ATOM 0 HB THR A 15 17.723 4.689 3.308 1.00 0.49 H new ATOM 0 HG1 THR A 15 18.004 6.755 4.386 1.00 0.63 H new ATOM 0 HG21 THR A 15 19.528 6.220 2.625 1.00 0.52 H new ATOM 0 HG22 THR A 15 18.879 5.309 1.242 1.00 0.52 H new ATOM 0 HG23 THR A 15 18.418 7.011 1.481 1.00 0.52 H new ATOM 228 N ARG A 16 15.262 3.557 3.206 1.00 0.40 N ATOM 229 CA ARG A 16 14.276 2.905 4.077 1.00 0.43 C ATOM 230 C ARG A 16 14.619 3.217 5.524 1.00 0.46 C ATOM 231 O ARG A 16 13.837 2.966 6.441 1.00 0.55 O ATOM 232 CB ARG A 16 14.238 1.379 3.869 1.00 0.50 C ATOM 233 CG ARG A 16 13.919 0.949 2.440 1.00 0.57 C ATOM 234 CD ARG A 16 15.158 0.967 1.553 1.00 0.68 C ATOM 235 NE ARG A 16 14.817 0.952 0.135 1.00 1.22 N ATOM 236 CZ ARG A 16 14.901 2.025 -0.655 1.00 2.43 C ATOM 237 NH1 ARG A 16 15.383 3.160 -0.174 1.00 3.01 N ATOM 238 NH2 ARG A 16 14.525 1.958 -1.925 1.00 3.14 N ATOM 0 H ARG A 16 16.051 2.967 2.943 1.00 0.40 H new ATOM 0 HA ARG A 16 13.289 3.291 3.823 1.00 0.43 H new ATOM 0 HB2 ARG A 16 15.203 0.961 4.155 1.00 0.50 H new ATOM 0 HB3 ARG A 16 13.493 0.951 4.540 1.00 0.50 H new ATOM 0 HG2 ARG A 16 13.493 -0.054 2.449 1.00 0.57 H new ATOM 0 HG3 ARG A 16 13.163 1.613 2.021 1.00 0.57 H new ATOM 0 HD2 ARG A 16 15.749 1.856 1.774 1.00 0.68 H new ATOM 0 HD3 ARG A 16 15.782 0.104 1.785 1.00 0.68 H new ATOM 0 HE ARG A 16 14.497 0.075 -0.275 1.00 1.22 H new ATOM 0 HH11 ARG A 16 15.689 3.213 0.798 1.00 3.01 H new ATOM 0 HH12 ARG A 16 15.449 3.982 -0.775 1.00 3.01 H new ATOM 0 HH21 ARG A 16 14.168 1.082 -2.306 1.00 3.14 H new ATOM 0 HH22 ARG A 16 14.593 2.783 -2.521 1.00 3.14 H new ATOM 252 N GLY A 17 15.809 3.768 5.710 1.00 0.47 N ATOM 253 CA GLY A 17 16.238 4.199 7.020 1.00 0.58 C ATOM 254 C GLY A 17 15.664 5.557 7.360 1.00 0.61 C ATOM 255 O GLY A 17 15.498 5.902 8.529 1.00 0.75 O ATOM 0 H GLY A 17 16.490 3.925 4.967 1.00 0.47 H new ATOM 0 HA2 GLY A 17 15.924 3.470 7.767 1.00 0.58 H new ATOM 0 HA3 GLY A 17 17.327 4.242 7.054 1.00 0.58 H new ATOM 259 N GLN A 18 15.350 6.316 6.314 1.00 0.58 N ATOM 260 CA GLN A 18 14.688 7.608 6.447 1.00 0.70 C ATOM 261 C GLN A 18 13.314 7.431 7.097 1.00 0.64 C ATOM 262 O GLN A 18 12.790 8.337 7.749 1.00 0.72 O ATOM 263 CB GLN A 18 14.543 8.240 5.056 1.00 0.86 C ATOM 264 CG GLN A 18 13.900 9.617 5.047 1.00 1.02 C ATOM 265 CD GLN A 18 14.683 10.633 5.847 1.00 1.49 C ATOM 266 OE1 GLN A 18 15.588 11.284 5.326 1.00 2.00 O ATOM 267 NE2 GLN A 18 14.337 10.780 7.113 1.00 2.17 N ATOM 0 H GLN A 18 15.548 6.051 5.349 1.00 0.58 H new ATOM 0 HA GLN A 18 15.285 8.262 7.082 1.00 0.70 H new ATOM 0 HB2 GLN A 18 15.530 8.312 4.600 1.00 0.86 H new ATOM 0 HB3 GLN A 18 13.951 7.573 4.429 1.00 0.86 H new ATOM 0 HG2 GLN A 18 13.809 9.964 4.018 1.00 1.02 H new ATOM 0 HG3 GLN A 18 12.890 9.544 5.450 1.00 1.02 H new ATOM 0 HE21 GLN A 18 13.580 10.219 7.503 1.00 2.17 H new ATOM 0 HE22 GLN A 18 14.827 11.455 7.700 1.00 2.17 H new ATOM 276 N LEU A 19 12.754 6.243 6.912 1.00 0.60 N ATOM 277 CA LEU A 19 11.461 5.888 7.478 1.00 0.62 C ATOM 278 C LEU A 19 11.562 5.812 8.991 1.00 0.78 C ATOM 279 O LEU A 19 10.812 6.456 9.719 1.00 1.61 O ATOM 280 CB LEU A 19 10.985 4.528 6.940 1.00 0.62 C ATOM 281 CG LEU A 19 10.569 4.449 5.451 1.00 0.52 C ATOM 282 CD1 LEU A 19 9.132 4.908 5.279 1.00 0.92 C ATOM 283 CD2 LEU A 19 11.474 5.264 4.545 1.00 0.89 C ATOM 0 H LEU A 19 13.185 5.498 6.364 1.00 0.60 H new ATOM 0 HA LEU A 19 10.743 6.656 7.191 1.00 0.62 H new ATOM 0 HB2 LEU A 19 11.783 3.804 7.104 1.00 0.62 H new ATOM 0 HB3 LEU A 19 10.135 4.207 7.543 1.00 0.62 H new ATOM 0 HG LEU A 19 10.665 3.404 5.156 1.00 0.52 H new ATOM 0 HD11 LEU A 19 8.854 4.847 4.227 1.00 0.92 H new ATOM 0 HD12 LEU A 19 8.473 4.268 5.866 1.00 0.92 H new ATOM 0 HD13 LEU A 19 9.036 5.939 5.620 1.00 0.92 H new ATOM 0 HD21 LEU A 19 11.135 5.171 3.513 1.00 0.89 H new ATOM 0 HD22 LEU A 19 11.441 6.311 4.845 1.00 0.89 H new ATOM 0 HD23 LEU A 19 12.497 4.895 4.625 1.00 0.89 H new ATOM 295 N THR A 20 12.506 5.007 9.444 1.00 0.68 N ATOM 296 CA THR A 20 12.717 4.779 10.868 1.00 0.69 C ATOM 297 C THR A 20 11.420 4.265 11.493 1.00 0.66 C ATOM 298 O THR A 20 10.945 4.777 12.509 1.00 0.73 O ATOM 299 CB THR A 20 13.182 6.071 11.578 1.00 0.80 C ATOM 300 OG1 THR A 20 14.182 6.726 10.784 1.00 1.51 O ATOM 301 CG2 THR A 20 13.762 5.769 12.953 1.00 1.65 C ATOM 0 H THR A 20 13.148 4.493 8.840 1.00 0.68 H new ATOM 0 HA THR A 20 13.503 4.034 10.992 1.00 0.69 H new ATOM 0 HB THR A 20 12.313 6.717 11.700 1.00 0.80 H new ATOM 0 HG1 THR A 20 14.545 6.094 10.129 1.00 1.51 H new ATOM 0 HG21 THR A 20 14.080 6.698 13.426 1.00 1.65 H new ATOM 0 HG22 THR A 20 13.003 5.288 13.570 1.00 1.65 H new ATOM 0 HG23 THR A 20 14.619 5.104 12.848 1.00 1.65 H new ATOM 309 N ASP A 21 10.855 3.258 10.831 1.00 0.61 N ATOM 310 CA ASP A 21 9.585 2.651 11.218 1.00 0.61 C ATOM 311 C ASP A 21 8.421 3.538 10.795 1.00 0.58 C ATOM 312 O ASP A 21 7.829 3.327 9.742 1.00 0.73 O ATOM 313 CB ASP A 21 9.525 2.345 12.721 1.00 0.69 C ATOM 314 CG ASP A 21 8.268 1.596 13.117 1.00 1.18 C ATOM 315 OD1 ASP A 21 8.270 0.352 13.037 1.00 1.38 O ATOM 316 OD2 ASP A 21 7.279 2.243 13.520 1.00 1.83 O ATOM 0 H ASP A 21 11.272 2.836 10.001 1.00 0.61 H new ATOM 0 HA ASP A 21 9.505 1.697 10.697 1.00 0.61 H new ATOM 0 HB2 ASP A 21 10.398 1.756 13.003 1.00 0.69 H new ATOM 0 HB3 ASP A 21 9.577 3.279 13.280 1.00 0.69 H new ATOM 321 N ALA A 22 8.130 4.564 11.573 1.00 0.65 N ATOM 322 CA ALA A 22 6.956 5.379 11.313 1.00 0.68 C ATOM 323 C ALA A 22 7.319 6.770 10.807 1.00 0.62 C ATOM 324 O ALA A 22 7.491 7.704 11.592 1.00 0.72 O ATOM 325 CB ALA A 22 6.090 5.478 12.557 1.00 0.82 C ATOM 0 H ALA A 22 8.682 4.851 12.381 1.00 0.65 H new ATOM 0 HA ALA A 22 6.391 4.884 10.523 1.00 0.68 H new ATOM 0 HB1 ALA A 22 5.215 6.092 12.343 1.00 0.82 H new ATOM 0 HB2 ALA A 22 5.769 4.481 12.857 1.00 0.82 H new ATOM 0 HB3 ALA A 22 6.664 5.932 13.365 1.00 0.82 H new ATOM 331 N ALA A 23 7.481 6.885 9.496 1.00 0.59 N ATOM 332 CA ALA A 23 7.604 8.180 8.842 1.00 0.59 C ATOM 333 C ALA A 23 7.071 8.095 7.420 1.00 0.64 C ATOM 334 O ALA A 23 7.627 7.383 6.589 1.00 0.79 O ATOM 335 CB ALA A 23 9.045 8.662 8.834 1.00 0.71 C ATOM 0 H ALA A 23 7.531 6.089 8.860 1.00 0.59 H new ATOM 0 HA ALA A 23 7.014 8.902 9.406 1.00 0.59 H new ATOM 0 HB1 ALA A 23 9.102 9.631 8.339 1.00 0.71 H new ATOM 0 HB2 ALA A 23 9.403 8.757 9.859 1.00 0.71 H new ATOM 0 HB3 ALA A 23 9.666 7.944 8.298 1.00 0.71 H new ATOM 341 N PRO A 24 5.967 8.795 7.134 1.00 0.62 N ATOM 342 CA PRO A 24 5.364 8.811 5.799 1.00 0.72 C ATOM 343 C PRO A 24 6.246 9.537 4.787 1.00 0.78 C ATOM 344 O PRO A 24 6.197 10.763 4.662 1.00 1.12 O ATOM 345 CB PRO A 24 4.047 9.564 6.009 1.00 0.79 C ATOM 346 CG PRO A 24 4.293 10.416 7.207 1.00 0.75 C ATOM 347 CD PRO A 24 5.219 9.629 8.088 1.00 0.63 C ATOM 0 HA PRO A 24 5.228 7.808 5.395 1.00 0.72 H new ATOM 0 HB2 PRO A 24 3.791 10.168 5.138 1.00 0.79 H new ATOM 0 HB3 PRO A 24 3.218 8.876 6.174 1.00 0.79 H new ATOM 0 HG2 PRO A 24 4.740 11.369 6.924 1.00 0.75 H new ATOM 0 HG3 PRO A 24 3.360 10.642 7.724 1.00 0.75 H new ATOM 0 HD2 PRO A 24 5.881 10.280 8.659 1.00 0.63 H new ATOM 0 HD3 PRO A 24 4.670 9.022 8.808 1.00 0.63 H new ATOM 355 N ILE A 25 7.068 8.777 4.085 1.00 0.58 N ATOM 356 CA ILE A 25 8.008 9.353 3.134 1.00 0.64 C ATOM 357 C ILE A 25 7.394 9.485 1.748 1.00 0.59 C ATOM 358 O ILE A 25 7.546 10.512 1.087 1.00 0.95 O ATOM 359 CB ILE A 25 9.288 8.511 3.053 1.00 0.92 C ATOM 360 CG1 ILE A 25 9.914 8.399 4.438 1.00 1.73 C ATOM 361 CG2 ILE A 25 10.274 9.113 2.064 1.00 1.37 C ATOM 362 CD1 ILE A 25 10.268 9.733 5.068 1.00 2.58 C ATOM 0 H ILE A 25 7.105 7.760 4.154 1.00 0.58 H new ATOM 0 HA ILE A 25 8.258 10.351 3.495 1.00 0.64 H new ATOM 0 HB ILE A 25 9.031 7.514 2.697 1.00 0.92 H new ATOM 0 HG12 ILE A 25 9.223 7.871 5.095 1.00 1.73 H new ATOM 0 HG13 ILE A 25 10.816 7.791 4.369 1.00 1.73 H new ATOM 0 HG21 ILE A 25 11.173 8.497 2.026 1.00 1.37 H new ATOM 0 HG22 ILE A 25 9.819 9.153 1.075 1.00 1.37 H new ATOM 0 HG23 ILE A 25 10.539 10.121 2.382 1.00 1.37 H new ATOM 0 HD11 ILE A 25 10.708 9.566 6.051 1.00 2.58 H new ATOM 0 HD12 ILE A 25 10.984 10.256 4.434 1.00 2.58 H new ATOM 0 HD13 ILE A 25 9.367 10.337 5.172 1.00 2.58 H new ATOM 374 N GLY A 26 6.676 8.460 1.312 1.00 0.62 N ATOM 375 CA GLY A 26 6.017 8.543 0.024 1.00 0.74 C ATOM 376 C GLY A 26 4.504 8.378 0.093 1.00 0.56 C ATOM 377 O GLY A 26 3.956 7.543 -0.620 1.00 0.65 O ATOM 0 H GLY A 26 6.539 7.585 1.818 1.00 0.62 H new ATOM 0 HA2 GLY A 26 6.247 9.507 -0.429 1.00 0.74 H new ATOM 0 HA3 GLY A 26 6.427 7.776 -0.633 1.00 0.74 H new ATOM 381 N PRO A 27 3.798 9.146 0.953 1.00 0.48 N ATOM 382 CA PRO A 27 2.329 9.174 0.991 1.00 0.44 C ATOM 383 C PRO A 27 1.713 9.390 -0.390 1.00 0.48 C ATOM 384 O PRO A 27 2.010 10.374 -1.066 1.00 0.61 O ATOM 385 CB PRO A 27 2.008 10.376 1.903 1.00 0.51 C ATOM 386 CG PRO A 27 3.305 11.088 2.092 1.00 0.66 C ATOM 387 CD PRO A 27 4.352 10.027 1.984 1.00 0.67 C ATOM 0 HA PRO A 27 1.922 8.228 1.347 1.00 0.44 H new ATOM 0 HB2 PRO A 27 1.265 11.029 1.445 1.00 0.51 H new ATOM 0 HB3 PRO A 27 1.598 10.046 2.858 1.00 0.51 H new ATOM 0 HG2 PRO A 27 3.445 11.859 1.334 1.00 0.66 H new ATOM 0 HG3 PRO A 27 3.345 11.584 3.062 1.00 0.66 H new ATOM 0 HD2 PRO A 27 5.318 10.438 1.692 1.00 0.67 H new ATOM 0 HD3 PRO A 27 4.500 9.504 2.929 1.00 0.67 H new ATOM 395 N VAL A 28 0.857 8.469 -0.798 1.00 0.45 N ATOM 396 CA VAL A 28 0.198 8.566 -2.089 1.00 0.54 C ATOM 397 C VAL A 28 -1.254 8.997 -1.904 1.00 0.57 C ATOM 398 O VAL A 28 -1.926 8.575 -0.958 1.00 0.58 O ATOM 399 CB VAL A 28 0.280 7.226 -2.871 1.00 0.65 C ATOM 400 CG1 VAL A 28 -0.299 6.079 -2.057 1.00 1.18 C ATOM 401 CG2 VAL A 28 -0.420 7.334 -4.221 1.00 1.07 C ATOM 0 H VAL A 28 0.602 7.645 -0.254 1.00 0.45 H new ATOM 0 HA VAL A 28 0.717 9.320 -2.680 1.00 0.54 H new ATOM 0 HB VAL A 28 1.334 7.014 -3.052 1.00 0.65 H new ATOM 0 HG11 VAL A 28 -0.228 5.154 -2.630 1.00 1.18 H new ATOM 0 HG12 VAL A 28 0.260 5.974 -1.127 1.00 1.18 H new ATOM 0 HG13 VAL A 28 -1.345 6.286 -1.830 1.00 1.18 H new ATOM 0 HG21 VAL A 28 -0.347 6.382 -4.746 1.00 1.07 H new ATOM 0 HG22 VAL A 28 -1.470 7.584 -4.068 1.00 1.07 H new ATOM 0 HG23 VAL A 28 0.055 8.114 -4.816 1.00 1.07 H new ATOM 411 N THR A 29 -1.722 9.870 -2.783 1.00 0.61 N ATOM 412 CA THR A 29 -3.086 10.353 -2.713 1.00 0.67 C ATOM 413 C THR A 29 -4.046 9.364 -3.377 1.00 0.65 C ATOM 414 O THR A 29 -4.127 9.257 -4.603 1.00 0.75 O ATOM 415 CB THR A 29 -3.225 11.767 -3.334 1.00 0.79 C ATOM 416 OG1 THR A 29 -4.601 12.165 -3.366 1.00 1.64 O ATOM 417 CG2 THR A 29 -2.635 11.829 -4.739 1.00 1.37 C ATOM 0 H THR A 29 -1.175 10.256 -3.552 1.00 0.61 H new ATOM 0 HA THR A 29 -3.354 10.434 -1.660 1.00 0.67 H new ATOM 0 HB THR A 29 -2.663 12.456 -2.703 1.00 0.79 H new ATOM 0 HG1 THR A 29 -4.674 13.060 -3.759 1.00 1.64 H new ATOM 0 HG21 THR A 29 -2.752 12.836 -5.139 1.00 1.37 H new ATOM 0 HG22 THR A 29 -1.576 11.575 -4.700 1.00 1.37 H new ATOM 0 HG23 THR A 29 -3.155 11.120 -5.383 1.00 1.37 H new ATOM 425 N VAL A 30 -4.743 8.616 -2.540 1.00 0.62 N ATOM 426 CA VAL A 30 -5.714 7.642 -2.999 1.00 0.61 C ATOM 427 C VAL A 30 -7.102 8.255 -3.026 1.00 0.62 C ATOM 428 O VAL A 30 -7.663 8.579 -1.985 1.00 0.87 O ATOM 429 CB VAL A 30 -5.732 6.408 -2.074 1.00 0.77 C ATOM 430 CG1 VAL A 30 -6.886 5.476 -2.422 1.00 0.76 C ATOM 431 CG2 VAL A 30 -4.408 5.668 -2.161 1.00 1.01 C ATOM 0 H VAL A 30 -4.651 8.667 -1.525 1.00 0.62 H new ATOM 0 HA VAL A 30 -5.427 7.334 -4.004 1.00 0.61 H new ATOM 0 HB VAL A 30 -5.877 6.753 -1.050 1.00 0.77 H new ATOM 0 HG11 VAL A 30 -6.873 4.615 -1.753 1.00 0.76 H new ATOM 0 HG12 VAL A 30 -7.830 6.009 -2.310 1.00 0.76 H new ATOM 0 HG13 VAL A 30 -6.781 5.136 -3.452 1.00 0.76 H new ATOM 0 HG21 VAL A 30 -4.433 4.799 -1.504 1.00 1.01 H new ATOM 0 HG22 VAL A 30 -4.240 5.342 -3.187 1.00 1.01 H new ATOM 0 HG23 VAL A 30 -3.599 6.332 -1.854 1.00 1.01 H new ATOM 441 N GLN A 31 -7.665 8.387 -4.211 1.00 0.49 N ATOM 442 CA GLN A 31 -8.995 8.949 -4.350 1.00 0.52 C ATOM 443 C GLN A 31 -10.013 7.830 -4.505 1.00 0.49 C ATOM 444 O GLN A 31 -9.863 6.956 -5.359 1.00 0.54 O ATOM 445 CB GLN A 31 -9.058 9.898 -5.550 1.00 0.62 C ATOM 446 CG GLN A 31 -10.350 10.699 -5.629 1.00 1.15 C ATOM 447 CD GLN A 31 -10.426 11.559 -6.874 1.00 1.59 C ATOM 448 OE1 GLN A 31 -9.882 11.205 -7.920 1.00 2.48 O ATOM 449 NE2 GLN A 31 -11.088 12.700 -6.771 1.00 1.86 N ATOM 0 H GLN A 31 -7.224 8.114 -5.089 1.00 0.49 H new ATOM 0 HA GLN A 31 -9.229 9.521 -3.452 1.00 0.52 H new ATOM 0 HB2 GLN A 31 -8.216 10.588 -5.501 1.00 0.62 H new ATOM 0 HB3 GLN A 31 -8.943 9.319 -6.466 1.00 0.62 H new ATOM 0 HG2 GLN A 31 -11.199 10.015 -5.612 1.00 1.15 H new ATOM 0 HG3 GLN A 31 -10.434 11.334 -4.747 1.00 1.15 H new ATOM 0 HE21 GLN A 31 -11.525 12.958 -5.886 1.00 1.86 H new ATOM 0 HE22 GLN A 31 -11.161 13.322 -7.576 1.00 1.86 H new ATOM 458 N ALA A 32 -11.034 7.846 -3.664 1.00 0.53 N ATOM 459 CA ALA A 32 -12.075 6.837 -3.722 1.00 0.54 C ATOM 460 C ALA A 32 -13.247 7.347 -4.540 1.00 0.56 C ATOM 461 O ALA A 32 -14.110 8.061 -4.030 1.00 0.70 O ATOM 462 CB ALA A 32 -12.525 6.437 -2.324 1.00 0.61 C ATOM 0 H ALA A 32 -11.163 8.547 -2.934 1.00 0.53 H new ATOM 0 HA ALA A 32 -11.670 5.949 -4.207 1.00 0.54 H new ATOM 0 HB1 ALA A 32 -13.306 5.680 -2.396 1.00 0.61 H new ATOM 0 HB2 ALA A 32 -11.677 6.033 -1.771 1.00 0.61 H new ATOM 0 HB3 ALA A 32 -12.915 7.312 -1.803 1.00 0.61 H new ATOM 468 N LEU A 33 -13.249 7.002 -5.815 1.00 0.54 N ATOM 469 CA LEU A 33 -14.294 7.429 -6.724 1.00 0.64 C ATOM 470 C LEU A 33 -15.513 6.536 -6.533 1.00 0.75 C ATOM 471 O LEU A 33 -15.465 5.337 -6.813 1.00 0.84 O ATOM 472 CB LEU A 33 -13.774 7.370 -8.167 1.00 0.74 C ATOM 473 CG LEU A 33 -14.597 8.120 -9.224 1.00 1.28 C ATOM 474 CD1 LEU A 33 -13.771 8.310 -10.486 1.00 1.90 C ATOM 475 CD2 LEU A 33 -15.879 7.371 -9.557 1.00 1.94 C ATOM 0 H LEU A 33 -12.530 6.421 -6.246 1.00 0.54 H new ATOM 0 HA LEU A 33 -14.584 8.458 -6.514 1.00 0.64 H new ATOM 0 HB2 LEU A 33 -12.759 7.767 -8.180 1.00 0.74 H new ATOM 0 HB3 LEU A 33 -13.710 6.323 -8.464 1.00 0.74 H new ATOM 0 HG LEU A 33 -14.866 9.093 -8.814 1.00 1.28 H new ATOM 0 HD11 LEU A 33 -14.362 8.843 -11.231 1.00 1.90 H new ATOM 0 HD12 LEU A 33 -12.876 8.887 -10.252 1.00 1.90 H new ATOM 0 HD13 LEU A 33 -13.481 7.336 -10.881 1.00 1.90 H new ATOM 0 HD21 LEU A 33 -16.440 7.927 -10.308 1.00 1.94 H new ATOM 0 HD22 LEU A 33 -15.633 6.383 -9.946 1.00 1.94 H new ATOM 0 HD23 LEU A 33 -16.484 7.266 -8.656 1.00 1.94 H new ATOM 487 N GLY A 34 -16.595 7.124 -6.047 1.00 0.85 N ATOM 488 CA GLY A 34 -17.768 6.347 -5.713 1.00 1.06 C ATOM 489 C GLY A 34 -17.576 5.595 -4.416 1.00 0.98 C ATOM 490 O GLY A 34 -17.176 6.186 -3.406 1.00 1.81 O ATOM 0 H GLY A 34 -16.681 8.126 -5.878 1.00 0.85 H new ATOM 0 HA2 GLY A 34 -18.632 7.006 -5.629 1.00 1.06 H new ATOM 0 HA3 GLY A 34 -17.981 5.642 -6.517 1.00 1.06 H new ATOM 494 N CYS A 35 -17.866 4.298 -4.443 1.00 0.96 N ATOM 495 CA CYS A 35 -17.610 3.420 -3.305 1.00 0.86 C ATOM 496 C CYS A 35 -18.448 3.814 -2.092 1.00 0.96 C ATOM 497 O CYS A 35 -18.115 3.450 -0.967 1.00 1.88 O ATOM 498 CB CYS A 35 -16.118 3.462 -2.949 1.00 0.84 C ATOM 499 SG CYS A 35 -15.020 2.874 -4.280 1.00 1.18 S ATOM 0 H CYS A 35 -18.282 3.828 -5.247 1.00 0.96 H new ATOM 0 HA CYS A 35 -17.893 2.406 -3.588 1.00 0.86 H new ATOM 0 HB2 CYS A 35 -15.845 4.486 -2.693 1.00 0.84 H new ATOM 0 HB3 CYS A 35 -15.950 2.855 -2.059 1.00 0.84 H new ATOM 504 N ASN A 36 -19.563 4.503 -2.331 1.00 0.79 N ATOM 505 CA ASN A 36 -20.365 5.093 -1.253 1.00 0.72 C ATOM 506 C ASN A 36 -20.875 4.039 -0.271 1.00 0.69 C ATOM 507 O ASN A 36 -21.067 4.323 0.909 1.00 0.80 O ATOM 508 CB ASN A 36 -21.550 5.872 -1.827 1.00 0.76 C ATOM 509 CG ASN A 36 -22.232 6.748 -0.791 1.00 1.29 C ATOM 510 OD1 ASN A 36 -21.450 7.339 0.100 1.00 1.75 O flip ATOM 511 ND2 ASN A 36 -23.451 6.913 -0.807 1.00 2.14 N flip ATOM 0 H ASN A 36 -19.935 4.669 -3.266 1.00 0.79 H new ATOM 0 HA ASN A 36 -19.710 5.773 -0.708 1.00 0.72 H new ATOM 0 HB2 ASN A 36 -21.205 6.494 -2.653 1.00 0.76 H new ATOM 0 HB3 ASN A 36 -22.276 5.171 -2.238 1.00 0.76 H new ATOM 0 HD21 ASN A 36 -24.020 6.441 -1.509 1.00 2.14 H new ATOM 0 HD22 ASN A 36 -23.892 7.522 -0.118 1.00 2.14 H new ATOM 518 N ALA A 37 -21.092 2.827 -0.751 1.00 0.65 N ATOM 519 CA ALA A 37 -21.547 1.744 0.106 1.00 0.74 C ATOM 520 C ALA A 37 -20.533 0.607 0.103 1.00 0.70 C ATOM 521 O ALA A 37 -20.866 -0.545 0.378 1.00 0.94 O ATOM 522 CB ALA A 37 -22.910 1.249 -0.354 1.00 0.93 C ATOM 0 H ALA A 37 -20.961 2.567 -1.729 1.00 0.65 H new ATOM 0 HA ALA A 37 -21.641 2.117 1.126 1.00 0.74 H new ATOM 0 HB1 ALA A 37 -23.241 0.438 0.295 1.00 0.93 H new ATOM 0 HB2 ALA A 37 -23.629 2.067 -0.308 1.00 0.93 H new ATOM 0 HB3 ALA A 37 -22.838 0.887 -1.380 1.00 0.93 H new ATOM 528 N ARG A 38 -19.283 0.941 -0.179 1.00 0.59 N ATOM 529 CA ARG A 38 -18.257 -0.069 -0.370 1.00 0.61 C ATOM 530 C ARG A 38 -17.077 0.153 0.578 1.00 0.50 C ATOM 531 O ARG A 38 -16.832 1.272 1.039 1.00 0.50 O ATOM 532 CB ARG A 38 -17.771 -0.028 -1.821 1.00 0.71 C ATOM 533 CG ARG A 38 -17.056 -1.287 -2.279 1.00 0.98 C ATOM 534 CD ARG A 38 -18.025 -2.321 -2.835 1.00 2.02 C ATOM 535 NE ARG A 38 -18.940 -2.857 -1.826 1.00 2.78 N ATOM 536 CZ ARG A 38 -19.095 -4.161 -1.593 1.00 3.70 C ATOM 537 NH1 ARG A 38 -18.343 -5.046 -2.235 1.00 4.05 N ATOM 538 NH2 ARG A 38 -19.998 -4.585 -0.719 1.00 4.64 N ATOM 0 H ARG A 38 -18.956 1.902 -0.280 1.00 0.59 H new ATOM 0 HA ARG A 38 -18.688 -1.046 -0.149 1.00 0.61 H new ATOM 0 HB2 ARG A 38 -18.627 0.147 -2.473 1.00 0.71 H new ATOM 0 HB3 ARG A 38 -17.099 0.821 -1.942 1.00 0.71 H new ATOM 0 HG2 ARG A 38 -16.322 -1.030 -3.043 1.00 0.98 H new ATOM 0 HG3 ARG A 38 -16.507 -1.718 -1.442 1.00 0.98 H new ATOM 0 HD2 ARG A 38 -18.606 -1.869 -3.639 1.00 2.02 H new ATOM 0 HD3 ARG A 38 -17.458 -3.142 -3.274 1.00 2.02 H new ATOM 0 HE ARG A 38 -19.488 -2.199 -1.272 1.00 2.78 H new ATOM 0 HH11 ARG A 38 -17.645 -4.729 -2.908 1.00 4.05 H new ATOM 0 HH12 ARG A 38 -18.463 -6.043 -2.055 1.00 4.05 H new ATOM 0 HH21 ARG A 38 -20.580 -3.912 -0.220 1.00 4.64 H new ATOM 0 HH22 ARG A 38 -20.111 -5.584 -0.546 1.00 4.64 H new ATOM 552 N GLN A 39 -16.360 -0.924 0.875 1.00 0.48 N ATOM 553 CA GLN A 39 -15.136 -0.848 1.654 1.00 0.42 C ATOM 554 C GLN A 39 -13.942 -0.728 0.716 1.00 0.42 C ATOM 555 O GLN A 39 -13.801 -1.513 -0.223 1.00 0.62 O ATOM 556 CB GLN A 39 -15.004 -2.089 2.540 1.00 0.47 C ATOM 557 CG GLN A 39 -16.016 -2.135 3.676 1.00 0.64 C ATOM 558 CD GLN A 39 -16.116 -3.502 4.329 1.00 0.87 C ATOM 559 OE1 GLN A 39 -15.953 -4.550 3.539 1.00 1.75 O flip ATOM 560 NE2 GLN A 39 -16.364 -3.614 5.529 1.00 1.40 N flip ATOM 0 H GLN A 39 -16.611 -1.869 0.583 1.00 0.48 H new ATOM 0 HA GLN A 39 -15.167 0.032 2.297 1.00 0.42 H new ATOM 0 HB2 GLN A 39 -15.121 -2.980 1.923 1.00 0.47 H new ATOM 0 HB3 GLN A 39 -13.998 -2.121 2.959 1.00 0.47 H new ATOM 0 HG2 GLN A 39 -15.740 -1.398 4.430 1.00 0.64 H new ATOM 0 HG3 GLN A 39 -16.996 -1.849 3.294 1.00 0.64 H new ATOM 0 HE21 GLN A 39 -16.483 -2.781 6.105 1.00 1.40 H new ATOM 0 HE22 GLN A 39 -16.451 -4.540 5.948 1.00 1.40 H new ATOM 569 N VAL A 40 -13.096 0.259 0.961 1.00 0.36 N ATOM 570 CA VAL A 40 -11.972 0.538 0.075 1.00 0.38 C ATOM 571 C VAL A 40 -10.680 -0.009 0.659 1.00 0.35 C ATOM 572 O VAL A 40 -10.256 0.416 1.730 1.00 0.41 O ATOM 573 CB VAL A 40 -11.812 2.053 -0.174 1.00 0.44 C ATOM 574 CG1 VAL A 40 -10.596 2.337 -1.046 1.00 0.49 C ATOM 575 CG2 VAL A 40 -13.070 2.631 -0.806 1.00 0.54 C ATOM 0 H VAL A 40 -13.164 0.882 1.766 1.00 0.36 H new ATOM 0 HA VAL A 40 -12.181 0.046 -0.875 1.00 0.38 H new ATOM 0 HB VAL A 40 -11.658 2.537 0.790 1.00 0.44 H new ATOM 0 HG11 VAL A 40 -10.506 3.411 -1.206 1.00 0.49 H new ATOM 0 HG12 VAL A 40 -9.698 1.968 -0.550 1.00 0.49 H new ATOM 0 HG13 VAL A 40 -10.712 1.835 -2.007 1.00 0.49 H new ATOM 0 HG21 VAL A 40 -12.935 3.700 -0.973 1.00 0.54 H new ATOM 0 HG22 VAL A 40 -13.259 2.136 -1.759 1.00 0.54 H new ATOM 0 HG23 VAL A 40 -13.918 2.472 -0.140 1.00 0.54 H new ATOM 585 N ALA A 41 -10.071 -0.956 -0.044 1.00 0.29 N ATOM 586 CA ALA A 41 -8.829 -1.552 0.382 1.00 0.28 C ATOM 587 C ALA A 41 -7.715 -1.207 -0.592 1.00 0.26 C ATOM 588 O ALA A 41 -7.965 -0.709 -1.687 1.00 0.35 O ATOM 589 CB ALA A 41 -8.976 -3.061 0.481 1.00 0.36 C ATOM 0 H ALA A 41 -10.431 -1.326 -0.924 1.00 0.29 H new ATOM 0 HA ALA A 41 -8.575 -1.154 1.365 1.00 0.28 H new ATOM 0 HB1 ALA A 41 -8.031 -3.498 0.804 1.00 0.36 H new ATOM 0 HB2 ALA A 41 -9.754 -3.304 1.205 1.00 0.36 H new ATOM 0 HB3 ALA A 41 -9.248 -3.465 -0.494 1.00 0.36 H new ATOM 595 N LEU A 42 -6.492 -1.464 -0.185 1.00 0.27 N ATOM 596 CA LEU A 42 -5.351 -1.305 -1.065 1.00 0.31 C ATOM 597 C LEU A 42 -4.637 -2.633 -1.218 1.00 0.31 C ATOM 598 O LEU A 42 -4.043 -3.141 -0.268 1.00 0.48 O ATOM 599 CB LEU A 42 -4.410 -0.245 -0.510 1.00 0.39 C ATOM 600 CG LEU A 42 -5.006 1.161 -0.477 1.00 0.52 C ATOM 601 CD1 LEU A 42 -4.232 2.050 0.483 1.00 0.80 C ATOM 602 CD2 LEU A 42 -5.006 1.771 -1.872 1.00 0.84 C ATOM 0 H LEU A 42 -6.259 -1.786 0.755 1.00 0.27 H new ATOM 0 HA LEU A 42 -5.692 -0.978 -2.047 1.00 0.31 H new ATOM 0 HB2 LEU A 42 -4.117 -0.528 0.501 1.00 0.39 H new ATOM 0 HB3 LEU A 42 -3.502 -0.229 -1.112 1.00 0.39 H new ATOM 0 HG LEU A 42 -6.035 1.087 -0.126 1.00 0.52 H new ATOM 0 HD11 LEU A 42 -4.673 3.047 0.491 1.00 0.80 H new ATOM 0 HD12 LEU A 42 -4.275 1.626 1.486 1.00 0.80 H new ATOM 0 HD13 LEU A 42 -3.193 2.116 0.161 1.00 0.80 H new ATOM 0 HD21 LEU A 42 -5.434 2.773 -1.831 1.00 0.84 H new ATOM 0 HD22 LEU A 42 -3.983 1.828 -2.244 1.00 0.84 H new ATOM 0 HD23 LEU A 42 -5.601 1.149 -2.541 1.00 0.84 H new ATOM 614 N LYS A 43 -4.739 -3.219 -2.399 1.00 0.34 N ATOM 615 CA LYS A 43 -4.092 -4.488 -2.662 1.00 0.37 C ATOM 616 C LYS A 43 -2.888 -4.283 -3.536 1.00 0.38 C ATOM 617 O LYS A 43 -2.981 -3.768 -4.650 1.00 0.53 O ATOM 618 CB LYS A 43 -5.065 -5.473 -3.298 1.00 0.42 C ATOM 619 CG LYS A 43 -6.270 -5.697 -2.421 1.00 0.49 C ATOM 620 CD LYS A 43 -5.942 -6.520 -1.193 1.00 1.00 C ATOM 621 CE LYS A 43 -6.886 -6.182 -0.055 1.00 1.29 C ATOM 622 NZ LYS A 43 -8.308 -6.415 -0.426 1.00 1.93 N ATOM 0 H LYS A 43 -5.262 -2.836 -3.187 1.00 0.34 H new ATOM 0 HA LYS A 43 -3.763 -4.913 -1.714 1.00 0.37 H new ATOM 0 HB2 LYS A 43 -5.385 -5.096 -4.269 1.00 0.42 H new ATOM 0 HB3 LYS A 43 -4.560 -6.423 -3.475 1.00 0.42 H new ATOM 0 HG2 LYS A 43 -6.676 -4.734 -2.112 1.00 0.49 H new ATOM 0 HG3 LYS A 43 -7.047 -6.201 -2.996 1.00 0.49 H new ATOM 0 HD2 LYS A 43 -6.015 -7.581 -1.430 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -4.913 -6.332 -0.887 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -6.635 -6.786 0.817 1.00 1.29 H new ATOM 0 HE3 LYS A 43 -6.752 -5.139 0.231 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 -8.920 -5.786 0.132 1.00 1.93 H new ATOM 0 HZ2 LYS A 43 -8.440 -6.217 -1.438 1.00 1.93 H new ATOM 0 HZ3 LYS A 43 -8.560 -7.405 -0.232 1.00 1.93 H new ATOM 636 N ALA A 44 -1.759 -4.663 -3.002 1.00 0.36 N ATOM 637 CA ALA A 44 -0.513 -4.537 -3.713 1.00 0.37 C ATOM 638 C ALA A 44 -0.446 -5.545 -4.842 1.00 0.34 C ATOM 639 O ALA A 44 -1.113 -6.581 -4.806 1.00 0.36 O ATOM 640 CB ALA A 44 0.650 -4.718 -2.761 1.00 0.41 C ATOM 0 H ALA A 44 -1.675 -5.066 -2.069 1.00 0.36 H new ATOM 0 HA ALA A 44 -0.453 -3.538 -4.145 1.00 0.37 H new ATOM 0 HB1 ALA A 44 1.587 -4.621 -3.309 1.00 0.41 H new ATOM 0 HB2 ALA A 44 0.604 -3.957 -1.982 1.00 0.41 H new ATOM 0 HB3 ALA A 44 0.597 -5.707 -2.306 1.00 0.41 H new ATOM 646 N ASP A 45 0.347 -5.233 -5.846 1.00 0.36 N ATOM 647 CA ASP A 45 0.528 -6.124 -6.974 1.00 0.39 C ATOM 648 C ASP A 45 1.363 -7.317 -6.532 1.00 0.37 C ATOM 649 O ASP A 45 2.158 -7.197 -5.603 1.00 0.35 O ATOM 650 CB ASP A 45 1.207 -5.388 -8.128 1.00 0.45 C ATOM 651 CG ASP A 45 1.277 -6.228 -9.388 1.00 0.57 C ATOM 652 OD1 ASP A 45 2.164 -7.099 -9.482 1.00 0.64 O ATOM 653 OD2 ASP A 45 0.439 -6.024 -10.294 1.00 0.71 O ATOM 0 H ASP A 45 0.879 -4.365 -5.904 1.00 0.36 H new ATOM 0 HA ASP A 45 -0.443 -6.474 -7.325 1.00 0.39 H new ATOM 0 HB2 ASP A 45 0.663 -4.467 -8.338 1.00 0.45 H new ATOM 0 HB3 ASP A 45 2.215 -5.101 -7.829 1.00 0.45 H new ATOM 658 N THR A 46 1.199 -8.452 -7.202 1.00 0.47 N ATOM 659 CA THR A 46 1.819 -9.700 -6.766 1.00 0.55 C ATOM 660 C THR A 46 3.346 -9.590 -6.684 1.00 0.47 C ATOM 661 O THR A 46 3.990 -10.396 -6.014 1.00 0.56 O ATOM 662 CB THR A 46 1.424 -10.873 -7.688 1.00 0.76 C ATOM 663 OG1 THR A 46 1.740 -12.127 -7.063 1.00 1.40 O ATOM 664 CG2 THR A 46 2.122 -10.781 -9.039 1.00 0.99 C ATOM 0 H THR A 46 0.641 -8.535 -8.052 1.00 0.47 H new ATOM 0 HA THR A 46 1.443 -9.898 -5.762 1.00 0.55 H new ATOM 0 HB THR A 46 0.349 -10.812 -7.856 1.00 0.76 H new ATOM 0 HG1 THR A 46 2.481 -12.002 -6.434 1.00 1.40 H new ATOM 0 HG21 THR A 46 1.821 -11.623 -9.662 1.00 0.99 H new ATOM 0 HG22 THR A 46 1.844 -9.848 -9.530 1.00 0.99 H new ATOM 0 HG23 THR A 46 3.202 -10.806 -8.893 1.00 0.99 H new ATOM 672 N ASP A 47 3.914 -8.589 -7.355 1.00 0.42 N ATOM 673 CA ASP A 47 5.352 -8.338 -7.290 1.00 0.50 C ATOM 674 C ASP A 47 5.781 -7.981 -5.869 1.00 0.43 C ATOM 675 O ASP A 47 6.846 -8.392 -5.410 1.00 0.47 O ATOM 676 CB ASP A 47 5.757 -7.206 -8.237 1.00 0.66 C ATOM 677 CG ASP A 47 5.855 -7.642 -9.683 1.00 1.42 C ATOM 678 OD1 ASP A 47 6.492 -8.679 -9.954 1.00 1.72 O ATOM 679 OD2 ASP A 47 5.294 -6.953 -10.560 1.00 2.22 O ATOM 0 H ASP A 47 3.400 -7.939 -7.950 1.00 0.42 H new ATOM 0 HA ASP A 47 5.854 -9.256 -7.596 1.00 0.50 H new ATOM 0 HB2 ASP A 47 5.031 -6.397 -8.157 1.00 0.66 H new ATOM 0 HB3 ASP A 47 6.719 -6.803 -7.920 1.00 0.66 H new ATOM 684 N ASN A 48 4.936 -7.231 -5.175 1.00 0.38 N ATOM 685 CA ASN A 48 5.239 -6.771 -3.823 1.00 0.39 C ATOM 686 C ASN A 48 4.126 -7.181 -2.861 1.00 0.37 C ATOM 687 O ASN A 48 3.977 -6.612 -1.778 1.00 0.42 O ATOM 688 CB ASN A 48 5.444 -5.247 -3.809 1.00 0.50 C ATOM 689 CG ASN A 48 4.251 -4.485 -4.339 1.00 0.65 C ATOM 690 OD1 ASN A 48 4.030 -4.418 -5.546 1.00 1.35 O ATOM 691 ND2 ASN A 48 3.501 -3.867 -3.446 1.00 1.19 N ATOM 0 H ASN A 48 4.029 -6.926 -5.527 1.00 0.38 H new ATOM 0 HA ASN A 48 6.165 -7.241 -3.492 1.00 0.39 H new ATOM 0 HB2 ASN A 48 5.651 -4.923 -2.789 1.00 0.50 H new ATOM 0 HB3 ASN A 48 6.321 -4.999 -4.406 1.00 0.50 H new ATOM 0 HD21 ASN A 48 2.703 -3.308 -3.749 1.00 1.19 H new ATOM 0 HD22 ASN A 48 3.719 -3.948 -2.453 1.00 1.19 H new ATOM 698 N PHE A 49 3.357 -8.182 -3.276 1.00 0.35 N ATOM 699 CA PHE A 49 2.297 -8.765 -2.455 1.00 0.36 C ATOM 700 C PHE A 49 2.492 -10.279 -2.406 1.00 0.38 C ATOM 701 O PHE A 49 2.282 -10.972 -3.402 1.00 0.39 O ATOM 702 CB PHE A 49 0.914 -8.415 -3.046 1.00 0.38 C ATOM 703 CG PHE A 49 -0.284 -8.891 -2.259 1.00 0.38 C ATOM 704 CD1 PHE A 49 -0.697 -10.221 -2.315 1.00 0.51 C ATOM 705 CD2 PHE A 49 -0.980 -8.019 -1.436 1.00 0.39 C ATOM 706 CE1 PHE A 49 -1.778 -10.655 -1.577 1.00 0.56 C ATOM 707 CE2 PHE A 49 -2.060 -8.455 -0.694 1.00 0.42 C ATOM 708 CZ PHE A 49 -2.521 -9.763 -0.854 1.00 0.46 C ATOM 0 H PHE A 49 3.450 -8.615 -4.195 1.00 0.35 H new ATOM 0 HA PHE A 49 2.345 -8.360 -1.444 1.00 0.36 H new ATOM 0 HB2 PHE A 49 0.849 -7.332 -3.149 1.00 0.38 H new ATOM 0 HB3 PHE A 49 0.854 -8.835 -4.050 1.00 0.38 H new ATOM 0 HD1 PHE A 49 -0.164 -10.919 -2.943 1.00 0.51 H new ATOM 0 HD2 PHE A 49 -0.674 -6.985 -1.374 1.00 0.39 H new ATOM 0 HE1 PHE A 49 -2.039 -11.703 -1.570 1.00 0.56 H new ATOM 0 HE2 PHE A 49 -2.544 -7.789 0.005 1.00 0.42 H new ATOM 0 HZ PHE A 49 -3.457 -10.068 -0.410 1.00 0.46 H new ATOM 718 N GLU A 50 2.930 -10.782 -1.261 1.00 0.44 N ATOM 719 CA GLU A 50 3.185 -12.208 -1.103 1.00 0.52 C ATOM 720 C GLU A 50 2.105 -12.850 -0.238 1.00 0.52 C ATOM 721 O GLU A 50 2.055 -12.615 0.971 1.00 0.54 O ATOM 722 CB GLU A 50 4.576 -12.450 -0.489 1.00 0.65 C ATOM 723 CG GLU A 50 4.795 -11.763 0.856 1.00 1.22 C ATOM 724 CD GLU A 50 6.016 -12.278 1.588 1.00 1.82 C ATOM 725 OE1 GLU A 50 5.916 -13.342 2.243 1.00 2.15 O ATOM 726 OE2 GLU A 50 7.076 -11.629 1.524 1.00 2.41 O ATOM 0 H GLU A 50 3.116 -10.225 -0.427 1.00 0.44 H new ATOM 0 HA GLU A 50 3.161 -12.669 -2.090 1.00 0.52 H new ATOM 0 HB2 GLU A 50 4.724 -13.523 -0.365 1.00 0.65 H new ATOM 0 HB3 GLU A 50 5.335 -12.103 -1.190 1.00 0.65 H new ATOM 0 HG2 GLU A 50 4.898 -10.690 0.698 1.00 1.22 H new ATOM 0 HG3 GLU A 50 3.914 -11.910 1.481 1.00 1.22 H new ATOM 733 N GLN A 51 1.219 -13.627 -0.873 1.00 0.63 N ATOM 734 CA GLN A 51 0.148 -14.353 -0.178 1.00 0.76 C ATOM 735 C GLN A 51 -0.926 -13.396 0.340 1.00 0.72 C ATOM 736 O GLN A 51 -2.105 -13.533 0.020 1.00 1.07 O ATOM 737 CB GLN A 51 0.716 -15.177 0.985 1.00 0.87 C ATOM 738 CG GLN A 51 -0.337 -15.959 1.755 1.00 1.71 C ATOM 739 CD GLN A 51 0.185 -16.523 3.066 1.00 2.56 C ATOM 740 OE1 GLN A 51 1.140 -15.838 3.678 1.00 2.92 O flip ATOM 741 NE2 GLN A 51 -0.267 -17.567 3.525 1.00 3.43 N flip ATOM 0 H GLN A 51 1.224 -13.770 -1.883 1.00 0.63 H new ATOM 0 HA GLN A 51 -0.312 -15.028 -0.900 1.00 0.76 H new ATOM 0 HB2 GLN A 51 1.460 -15.873 0.596 1.00 0.87 H new ATOM 0 HB3 GLN A 51 1.234 -14.509 1.673 1.00 0.87 H new ATOM 0 HG2 GLN A 51 -1.188 -15.309 1.958 1.00 1.71 H new ATOM 0 HG3 GLN A 51 -0.702 -16.777 1.133 1.00 1.71 H new ATOM 0 HE21 GLN A 51 -1.002 -18.067 3.026 1.00 3.43 H new ATOM 0 HE22 GLN A 51 0.092 -17.935 4.406 1.00 3.43 H new ATOM 750 N GLY A 52 -0.495 -12.435 1.140 1.00 0.56 N ATOM 751 CA GLY A 52 -1.386 -11.456 1.710 1.00 0.52 C ATOM 752 C GLY A 52 -0.615 -10.426 2.501 1.00 0.48 C ATOM 753 O GLY A 52 -1.082 -9.937 3.527 1.00 0.52 O ATOM 0 H GLY A 52 0.482 -12.317 1.408 1.00 0.56 H new ATOM 0 HA2 GLY A 52 -1.950 -10.965 0.917 1.00 0.52 H new ATOM 0 HA3 GLY A 52 -2.111 -11.950 2.357 1.00 0.52 H new ATOM 757 N LYS A 53 0.589 -10.121 2.028 1.00 0.47 N ATOM 758 CA LYS A 53 1.450 -9.131 2.662 1.00 0.47 C ATOM 759 C LYS A 53 1.984 -8.192 1.589 1.00 0.42 C ATOM 760 O LYS A 53 2.407 -8.657 0.534 1.00 0.41 O ATOM 761 CB LYS A 53 2.656 -9.799 3.345 1.00 0.53 C ATOM 762 CG LYS A 53 2.408 -11.201 3.891 1.00 1.01 C ATOM 763 CD LYS A 53 1.602 -11.189 5.177 1.00 0.65 C ATOM 764 CE LYS A 53 1.346 -12.603 5.674 1.00 1.27 C ATOM 765 NZ LYS A 53 2.612 -13.342 5.937 1.00 2.12 N ATOM 0 H LYS A 53 0.994 -10.552 1.197 1.00 0.47 H new ATOM 0 HA LYS A 53 0.865 -8.597 3.411 1.00 0.47 H new ATOM 0 HB2 LYS A 53 3.476 -9.847 2.629 1.00 0.53 H new ATOM 0 HB3 LYS A 53 2.986 -9.162 4.165 1.00 0.53 H new ATOM 0 HG2 LYS A 53 1.881 -11.792 3.141 1.00 1.01 H new ATOM 0 HG3 LYS A 53 3.364 -11.692 4.070 1.00 1.01 H new ATOM 0 HD2 LYS A 53 2.137 -10.623 5.940 1.00 0.65 H new ATOM 0 HD3 LYS A 53 0.652 -10.681 5.010 1.00 0.65 H new ATOM 0 HE2 LYS A 53 0.753 -12.564 6.588 1.00 1.27 H new ATOM 0 HE3 LYS A 53 0.757 -13.146 4.935 1.00 1.27 H new ATOM 0 HZ1 LYS A 53 2.406 -14.199 6.489 1.00 2.12 H new ATOM 0 HZ2 LYS A 53 3.052 -13.610 5.033 1.00 2.12 H new ATOM 0 HZ3 LYS A 53 3.264 -12.734 6.472 1.00 2.12 H new ATOM 779 N PHE A 54 1.969 -6.889 1.835 1.00 0.44 N ATOM 780 CA PHE A 54 2.628 -5.965 0.925 1.00 0.41 C ATOM 781 C PHE A 54 3.904 -5.413 1.541 1.00 0.39 C ATOM 782 O PHE A 54 3.970 -5.129 2.740 1.00 0.44 O ATOM 783 CB PHE A 54 1.709 -4.829 0.437 1.00 0.43 C ATOM 784 CG PHE A 54 0.802 -4.201 1.461 1.00 0.44 C ATOM 785 CD1 PHE A 54 1.287 -3.726 2.666 1.00 0.53 C ATOM 786 CD2 PHE A 54 -0.552 -4.073 1.196 1.00 0.41 C ATOM 787 CE1 PHE A 54 0.440 -3.141 3.589 1.00 0.56 C ATOM 788 CE2 PHE A 54 -1.403 -3.485 2.112 1.00 0.44 C ATOM 789 CZ PHE A 54 -0.905 -3.019 3.310 1.00 0.51 C ATOM 0 H PHE A 54 1.517 -6.455 2.640 1.00 0.44 H new ATOM 0 HA PHE A 54 2.889 -6.543 0.038 1.00 0.41 H new ATOM 0 HB2 PHE A 54 2.335 -4.045 0.012 1.00 0.43 H new ATOM 0 HB3 PHE A 54 1.090 -5.217 -0.372 1.00 0.43 H new ATOM 0 HD1 PHE A 54 2.340 -3.813 2.889 1.00 0.53 H new ATOM 0 HD2 PHE A 54 -0.948 -4.438 0.260 1.00 0.41 H new ATOM 0 HE1 PHE A 54 0.832 -2.780 4.528 1.00 0.56 H new ATOM 0 HE2 PHE A 54 -2.456 -3.391 1.890 1.00 0.44 H new ATOM 0 HZ PHE A 54 -1.567 -2.559 4.029 1.00 0.51 H new ATOM 799 N PHE A 55 4.923 -5.294 0.711 1.00 0.37 N ATOM 800 CA PHE A 55 6.240 -4.871 1.154 1.00 0.36 C ATOM 801 C PHE A 55 6.938 -4.079 0.058 1.00 0.42 C ATOM 802 O PHE A 55 6.426 -3.956 -1.055 1.00 0.55 O ATOM 803 CB PHE A 55 7.094 -6.096 1.520 1.00 0.36 C ATOM 804 CG PHE A 55 7.183 -7.113 0.419 1.00 0.39 C ATOM 805 CD1 PHE A 55 6.233 -8.110 0.314 1.00 0.53 C ATOM 806 CD2 PHE A 55 8.216 -7.079 -0.503 1.00 0.41 C ATOM 807 CE1 PHE A 55 6.307 -9.055 -0.690 1.00 0.59 C ATOM 808 CE2 PHE A 55 8.297 -8.025 -1.508 1.00 0.48 C ATOM 809 CZ PHE A 55 7.353 -8.977 -1.635 1.00 0.54 C ATOM 0 H PHE A 55 4.862 -5.487 -0.289 1.00 0.37 H new ATOM 0 HA PHE A 55 6.120 -4.237 2.033 1.00 0.36 H new ATOM 0 HB2 PHE A 55 8.099 -5.764 1.780 1.00 0.36 H new ATOM 0 HB3 PHE A 55 6.675 -6.569 2.408 1.00 0.36 H new ATOM 0 HD1 PHE A 55 5.422 -8.151 1.026 1.00 0.53 H new ATOM 0 HD2 PHE A 55 8.966 -6.305 -0.436 1.00 0.41 H new ATOM 0 HE1 PHE A 55 5.573 -9.845 -0.752 1.00 0.59 H new ATOM 0 HE2 PHE A 55 9.127 -8.000 -2.199 1.00 0.48 H new ATOM 0 HZ PHE A 55 7.396 -9.678 -2.456 1.00 0.54 H new ATOM 819 N LEU A 56 8.101 -3.541 0.388 1.00 0.37 N ATOM 820 CA LEU A 56 8.964 -2.907 -0.593 1.00 0.44 C ATOM 821 C LEU A 56 9.876 -3.972 -1.191 1.00 0.44 C ATOM 822 O LEU A 56 10.674 -4.572 -0.468 1.00 0.53 O ATOM 823 CB LEU A 56 9.819 -1.819 0.068 1.00 0.53 C ATOM 824 CG LEU A 56 9.085 -0.882 1.027 1.00 0.81 C ATOM 825 CD1 LEU A 56 10.081 -0.013 1.778 1.00 1.53 C ATOM 826 CD2 LEU A 56 8.094 -0.013 0.275 1.00 1.27 C ATOM 0 H LEU A 56 8.471 -3.532 1.338 1.00 0.37 H new ATOM 0 HA LEU A 56 8.354 -2.444 -1.369 1.00 0.44 H new ATOM 0 HB2 LEU A 56 10.630 -2.303 0.613 1.00 0.53 H new ATOM 0 HB3 LEU A 56 10.277 -1.217 -0.717 1.00 0.53 H new ATOM 0 HG LEU A 56 8.534 -1.489 1.745 1.00 0.81 H new ATOM 0 HD11 LEU A 56 9.546 0.650 2.458 1.00 1.53 H new ATOM 0 HD12 LEU A 56 10.759 -0.647 2.349 1.00 1.53 H new ATOM 0 HD13 LEU A 56 10.653 0.582 1.067 1.00 1.53 H new ATOM 0 HD21 LEU A 56 7.583 0.646 0.976 1.00 1.27 H new ATOM 0 HD22 LEU A 56 8.624 0.586 -0.465 1.00 1.27 H new ATOM 0 HD23 LEU A 56 7.362 -0.646 -0.227 1.00 1.27 H new ATOM 838 N ILE A 57 9.765 -4.226 -2.491 1.00 0.42 N ATOM 839 CA ILE A 57 10.596 -5.247 -3.118 1.00 0.45 C ATOM 840 C ILE A 57 11.687 -4.612 -3.972 1.00 0.46 C ATOM 841 O ILE A 57 11.432 -3.729 -4.790 1.00 0.52 O ATOM 842 CB ILE A 57 9.773 -6.258 -3.967 1.00 0.53 C ATOM 843 CG1 ILE A 57 10.684 -7.337 -4.574 1.00 0.57 C ATOM 844 CG2 ILE A 57 8.991 -5.555 -5.065 1.00 0.62 C ATOM 845 CD1 ILE A 57 11.385 -8.199 -3.545 1.00 0.57 C ATOM 0 H ILE A 57 9.120 -3.749 -3.121 1.00 0.42 H new ATOM 0 HA ILE A 57 11.057 -5.808 -2.305 1.00 0.45 H new ATOM 0 HB ILE A 57 9.061 -6.739 -3.297 1.00 0.53 H new ATOM 0 HG12 ILE A 57 10.088 -7.977 -5.225 1.00 0.57 H new ATOM 0 HG13 ILE A 57 11.434 -6.855 -5.201 1.00 0.57 H new ATOM 0 HG21 ILE A 57 8.428 -6.291 -5.639 1.00 0.62 H new ATOM 0 HG22 ILE A 57 8.302 -4.838 -4.619 1.00 0.62 H new ATOM 0 HG23 ILE A 57 9.682 -5.032 -5.726 1.00 0.62 H new ATOM 0 HD11 ILE A 57 12.009 -8.936 -4.051 1.00 0.57 H new ATOM 0 HD12 ILE A 57 12.009 -7.571 -2.909 1.00 0.57 H new ATOM 0 HD13 ILE A 57 10.643 -8.711 -2.933 1.00 0.57 H new ATOM 857 N SER A 58 12.912 -5.042 -3.732 1.00 0.52 N ATOM 858 CA SER A 58 14.052 -4.587 -4.502 1.00 0.62 C ATOM 859 C SER A 58 13.943 -5.077 -5.942 1.00 0.72 C ATOM 860 O SER A 58 13.729 -6.267 -6.178 1.00 0.77 O ATOM 861 CB SER A 58 15.330 -5.119 -3.856 1.00 0.78 C ATOM 862 OG SER A 58 15.245 -6.523 -3.679 1.00 1.44 O ATOM 0 H SER A 58 13.143 -5.714 -3.000 1.00 0.52 H new ATOM 0 HA SER A 58 14.076 -3.497 -4.513 1.00 0.62 H new ATOM 0 HB2 SER A 58 16.190 -4.876 -4.481 1.00 0.78 H new ATOM 0 HB3 SER A 58 15.488 -4.633 -2.893 1.00 0.78 H new ATOM 0 HG SER A 58 14.665 -6.905 -4.370 1.00 1.44 H new ATOM 868 N ASP A 59 14.091 -4.167 -6.895 1.00 0.97 N ATOM 869 CA ASP A 59 14.045 -4.522 -8.312 1.00 1.18 C ATOM 870 C ASP A 59 15.239 -5.405 -8.659 1.00 1.20 C ATOM 871 O ASP A 59 15.164 -6.269 -9.535 1.00 1.34 O ATOM 872 CB ASP A 59 14.049 -3.259 -9.179 1.00 1.57 C ATOM 873 CG ASP A 59 15.410 -2.592 -9.262 1.00 1.80 C ATOM 874 OD1 ASP A 59 16.006 -2.326 -8.199 1.00 2.31 O ATOM 875 OD2 ASP A 59 15.890 -2.324 -10.384 1.00 2.17 O ATOM 0 H ASP A 59 14.244 -3.175 -6.715 1.00 0.97 H new ATOM 0 HA ASP A 59 13.125 -5.072 -8.510 1.00 1.18 H new ATOM 0 HB2 ASP A 59 13.716 -3.516 -10.185 1.00 1.57 H new ATOM 0 HB3 ASP A 59 13.328 -2.548 -8.776 1.00 1.57 H new ATOM 880 N ASN A 60 16.332 -5.183 -7.936 1.00 1.26 N ATOM 881 CA ASN A 60 17.538 -5.994 -8.050 1.00 1.52 C ATOM 882 C ASN A 60 17.277 -7.414 -7.549 1.00 1.40 C ATOM 883 O ASN A 60 18.052 -8.334 -7.815 1.00 1.74 O ATOM 884 CB ASN A 60 18.662 -5.335 -7.240 1.00 1.82 C ATOM 885 CG ASN A 60 19.976 -6.087 -7.304 1.00 2.52 C ATOM 886 OD1 ASN A 60 20.271 -6.922 -6.448 1.00 3.09 O ATOM 887 ND2 ASN A 60 20.775 -5.789 -8.314 1.00 3.05 N ATOM 0 H ASN A 60 16.406 -4.431 -7.251 1.00 1.26 H new ATOM 0 HA ASN A 60 17.835 -6.058 -9.097 1.00 1.52 H new ATOM 0 HB2 ASN A 60 18.816 -4.320 -7.606 1.00 1.82 H new ATOM 0 HB3 ASN A 60 18.349 -5.254 -6.199 1.00 1.82 H new ATOM 0 HD21 ASN A 60 21.676 -6.258 -8.407 1.00 3.05 H new ATOM 0 HD22 ASN A 60 20.490 -5.090 -9.001 1.00 3.05 H new ATOM 894 N ASN A 61 16.155 -7.572 -6.848 1.00 1.11 N ATOM 895 CA ASN A 61 15.755 -8.846 -6.259 1.00 1.06 C ATOM 896 C ASN A 61 16.809 -9.334 -5.273 1.00 1.11 C ATOM 897 O ASN A 61 17.676 -10.142 -5.610 1.00 1.55 O ATOM 898 CB ASN A 61 15.497 -9.901 -7.345 1.00 1.29 C ATOM 899 CG ASN A 61 14.808 -11.148 -6.811 1.00 1.85 C ATOM 900 OD1 ASN A 61 14.960 -11.515 -5.645 1.00 2.62 O ATOM 901 ND2 ASN A 61 14.046 -11.812 -7.664 1.00 2.37 N ATOM 0 H ASN A 61 15.495 -6.814 -6.673 1.00 1.11 H new ATOM 0 HA ASN A 61 14.822 -8.689 -5.717 1.00 1.06 H new ATOM 0 HB2 ASN A 61 14.883 -9.462 -8.132 1.00 1.29 H new ATOM 0 HB3 ASN A 61 16.446 -10.184 -7.801 1.00 1.29 H new ATOM 0 HD21 ASN A 61 13.561 -12.658 -7.363 1.00 2.37 H new ATOM 0 HD22 ASN A 61 13.943 -11.479 -8.622 1.00 2.37 H new ATOM 908 N ARG A 62 16.749 -8.806 -4.062 1.00 0.98 N ATOM 909 CA ARG A 62 17.662 -9.213 -3.007 1.00 1.06 C ATOM 910 C ARG A 62 16.967 -9.225 -1.650 1.00 0.90 C ATOM 911 O ARG A 62 17.160 -10.150 -0.861 1.00 1.01 O ATOM 912 CB ARG A 62 18.896 -8.303 -2.963 1.00 1.27 C ATOM 913 CG ARG A 62 18.577 -6.815 -2.966 1.00 1.79 C ATOM 914 CD ARG A 62 19.809 -5.979 -2.661 1.00 2.44 C ATOM 915 NE ARG A 62 20.935 -6.306 -3.532 1.00 3.13 N ATOM 916 CZ ARG A 62 22.146 -5.766 -3.408 1.00 3.67 C ATOM 917 NH1 ARG A 62 22.360 -4.806 -2.516 1.00 3.55 N ATOM 918 NH2 ARG A 62 23.133 -6.165 -4.193 1.00 4.66 N ATOM 0 H ARG A 62 16.075 -8.092 -3.784 1.00 0.98 H new ATOM 0 HA ARG A 62 17.990 -10.228 -3.233 1.00 1.06 H new ATOM 0 HB2 ARG A 62 19.474 -8.537 -2.069 1.00 1.27 H new ATOM 0 HB3 ARG A 62 19.530 -8.529 -3.820 1.00 1.27 H new ATOM 0 HG2 ARG A 62 18.175 -6.530 -3.938 1.00 1.79 H new ATOM 0 HG3 ARG A 62 17.803 -6.607 -2.227 1.00 1.79 H new ATOM 0 HD2 ARG A 62 19.564 -4.923 -2.770 1.00 2.44 H new ATOM 0 HD3 ARG A 62 20.101 -6.133 -1.622 1.00 2.44 H new ATOM 0 HE ARG A 62 20.785 -6.986 -4.277 1.00 3.13 H new ATOM 0 HH11 ARG A 62 21.596 -4.481 -1.924 1.00 3.55 H new ATOM 0 HH12 ARG A 62 23.288 -4.394 -2.423 1.00 3.55 H new ATOM 0 HH21 ARG A 62 22.967 -6.887 -4.894 1.00 4.66 H new ATOM 0 HH22 ARG A 62 24.060 -5.751 -4.097 1.00 4.66 H new ATOM 932 N ASP A 63 16.140 -8.220 -1.380 1.00 0.81 N ATOM 933 CA ASP A 63 15.507 -8.114 -0.071 1.00 0.75 C ATOM 934 C ASP A 63 14.120 -7.495 -0.171 1.00 0.61 C ATOM 935 O ASP A 63 13.709 -7.038 -1.243 1.00 0.69 O ATOM 936 CB ASP A 63 16.371 -7.280 0.871 1.00 0.92 C ATOM 937 CG ASP A 63 16.370 -7.839 2.280 1.00 1.70 C ATOM 938 OD1 ASP A 63 15.279 -7.978 2.873 1.00 2.51 O ATOM 939 OD2 ASP A 63 17.461 -8.187 2.784 1.00 2.02 O ATOM 0 H ASP A 63 15.896 -7.479 -2.037 1.00 0.81 H new ATOM 0 HA ASP A 63 15.405 -9.124 0.326 1.00 0.75 H new ATOM 0 HB2 ASP A 63 17.393 -7.248 0.494 1.00 0.92 H new ATOM 0 HB3 ASP A 63 16.005 -6.254 0.887 1.00 0.92 H new ATOM 944 N LYS A 64 13.421 -7.461 0.959 1.00 0.51 N ATOM 945 CA LYS A 64 12.057 -6.957 1.016 1.00 0.48 C ATOM 946 C LYS A 64 11.683 -6.582 2.452 1.00 0.52 C ATOM 947 O LYS A 64 12.093 -7.250 3.402 1.00 0.86 O ATOM 948 CB LYS A 64 11.084 -8.007 0.457 1.00 0.57 C ATOM 949 CG LYS A 64 10.961 -9.280 1.289 1.00 0.65 C ATOM 950 CD LYS A 64 9.813 -9.204 2.294 1.00 0.84 C ATOM 951 CE LYS A 64 9.815 -10.404 3.231 1.00 1.52 C ATOM 952 NZ LYS A 64 9.473 -11.670 2.527 1.00 2.07 N ATOM 0 H LYS A 64 13.784 -7.781 1.857 1.00 0.51 H new ATOM 0 HA LYS A 64 11.989 -6.058 0.403 1.00 0.48 H new ATOM 0 HB2 LYS A 64 10.097 -7.554 0.366 1.00 0.57 H new ATOM 0 HB3 LYS A 64 11.404 -8.278 -0.549 1.00 0.57 H new ATOM 0 HG2 LYS A 64 10.806 -10.131 0.626 1.00 0.65 H new ATOM 0 HG3 LYS A 64 11.896 -9.456 1.821 1.00 0.65 H new ATOM 0 HD2 LYS A 64 9.897 -8.286 2.876 1.00 0.84 H new ATOM 0 HD3 LYS A 64 8.863 -9.158 1.761 1.00 0.84 H new ATOM 0 HE2 LYS A 64 10.798 -10.501 3.692 1.00 1.52 H new ATOM 0 HE3 LYS A 64 9.101 -10.234 4.037 1.00 1.52 H new ATOM 0 HZ1 LYS A 64 9.156 -12.378 3.220 1.00 2.07 H new ATOM 0 HZ2 LYS A 64 8.711 -11.491 1.842 1.00 2.07 H new ATOM 0 HZ3 LYS A 64 10.312 -12.027 2.027 1.00 2.07 H new ATOM 966 N LEU A 65 10.922 -5.510 2.612 1.00 0.34 N ATOM 967 CA LEU A 65 10.465 -5.095 3.931 1.00 0.34 C ATOM 968 C LEU A 65 9.029 -4.600 3.878 1.00 0.38 C ATOM 969 O LEU A 65 8.674 -3.802 3.011 1.00 0.72 O ATOM 970 CB LEU A 65 11.382 -4.019 4.516 1.00 0.52 C ATOM 971 CG LEU A 65 11.492 -2.706 3.734 1.00 1.18 C ATOM 972 CD1 LEU A 65 12.041 -1.609 4.632 1.00 1.98 C ATOM 973 CD2 LEU A 65 12.389 -2.866 2.516 1.00 1.96 C ATOM 0 H LEU A 65 10.608 -4.912 1.847 1.00 0.34 H new ATOM 0 HA LEU A 65 10.502 -5.966 4.585 1.00 0.34 H new ATOM 0 HB2 LEU A 65 11.034 -3.787 5.523 1.00 0.52 H new ATOM 0 HB3 LEU A 65 12.382 -4.441 4.614 1.00 0.52 H new ATOM 0 HG LEU A 65 10.493 -2.433 3.393 1.00 1.18 H new ATOM 0 HD11 LEU A 65 12.116 -0.680 4.067 1.00 1.98 H new ATOM 0 HD12 LEU A 65 11.373 -1.465 5.481 1.00 1.98 H new ATOM 0 HD13 LEU A 65 13.029 -1.895 4.993 1.00 1.98 H new ATOM 0 HD21 LEU A 65 12.448 -1.918 1.981 1.00 1.96 H new ATOM 0 HD22 LEU A 65 13.387 -3.165 2.836 1.00 1.96 H new ATOM 0 HD23 LEU A 65 11.975 -3.630 1.857 1.00 1.96 H new ATOM 985 N TYR A 66 8.206 -5.078 4.804 1.00 0.32 N ATOM 986 CA TYR A 66 6.781 -4.776 4.787 1.00 0.34 C ATOM 987 C TYR A 66 6.532 -3.330 5.186 1.00 0.36 C ATOM 988 O TYR A 66 7.197 -2.798 6.077 1.00 0.44 O ATOM 989 CB TYR A 66 6.009 -5.699 5.732 1.00 0.39 C ATOM 990 CG TYR A 66 6.418 -7.153 5.657 1.00 0.41 C ATOM 991 CD1 TYR A 66 5.988 -7.968 4.617 1.00 0.50 C ATOM 992 CD2 TYR A 66 7.232 -7.711 6.634 1.00 0.55 C ATOM 993 CE1 TYR A 66 6.360 -9.297 4.556 1.00 0.59 C ATOM 994 CE2 TYR A 66 7.607 -9.036 6.579 1.00 0.64 C ATOM 995 CZ TYR A 66 7.169 -9.824 5.540 1.00 0.62 C ATOM 996 OH TYR A 66 7.540 -11.147 5.488 1.00 0.75 O ATOM 0 H TYR A 66 8.502 -5.676 5.576 1.00 0.32 H new ATOM 0 HA TYR A 66 6.427 -4.936 3.769 1.00 0.34 H new ATOM 0 HB2 TYR A 66 6.145 -5.348 6.755 1.00 0.39 H new ATOM 0 HB3 TYR A 66 4.945 -5.621 5.508 1.00 0.39 H new ATOM 0 HD1 TYR A 66 5.354 -7.557 3.845 1.00 0.50 H new ATOM 0 HD2 TYR A 66 7.577 -7.096 7.452 1.00 0.55 H new ATOM 0 HE1 TYR A 66 6.019 -9.920 3.742 1.00 0.59 H new ATOM 0 HE2 TYR A 66 8.241 -9.453 7.347 1.00 0.64 H new ATOM 0 HH TYR A 66 8.111 -11.357 6.256 1.00 0.75 H new ATOM 1006 N VAL A 67 5.573 -2.704 4.529 1.00 0.35 N ATOM 1007 CA VAL A 67 5.219 -1.329 4.832 1.00 0.38 C ATOM 1008 C VAL A 67 3.714 -1.169 4.895 1.00 0.40 C ATOM 1009 O VAL A 67 2.997 -1.580 3.987 1.00 0.73 O ATOM 1010 CB VAL A 67 5.803 -0.336 3.805 1.00 0.49 C ATOM 1011 CG1 VAL A 67 7.309 -0.219 3.973 1.00 0.67 C ATOM 1012 CG2 VAL A 67 5.454 -0.756 2.383 1.00 0.60 C ATOM 0 H VAL A 67 5.024 -3.127 3.780 1.00 0.35 H new ATOM 0 HA VAL A 67 5.653 -1.098 5.805 1.00 0.38 H new ATOM 0 HB VAL A 67 5.358 0.642 3.988 1.00 0.49 H new ATOM 0 HG11 VAL A 67 7.703 0.485 3.240 1.00 0.67 H new ATOM 0 HG12 VAL A 67 7.536 0.137 4.978 1.00 0.67 H new ATOM 0 HG13 VAL A 67 7.769 -1.196 3.821 1.00 0.67 H new ATOM 0 HG21 VAL A 67 5.877 -0.040 1.678 1.00 0.60 H new ATOM 0 HG22 VAL A 67 5.864 -1.746 2.185 1.00 0.60 H new ATOM 0 HG23 VAL A 67 4.371 -0.783 2.267 1.00 0.60 H new ATOM 1022 N ASN A 68 3.234 -0.581 5.972 1.00 0.42 N ATOM 1023 CA ASN A 68 1.808 -0.405 6.144 1.00 0.49 C ATOM 1024 C ASN A 68 1.383 0.966 5.653 1.00 0.43 C ATOM 1025 O ASN A 68 1.779 1.996 6.197 1.00 0.50 O ATOM 1026 CB ASN A 68 1.378 -0.624 7.606 1.00 0.74 C ATOM 1027 CG ASN A 68 2.037 0.330 8.591 1.00 0.99 C ATOM 1028 OD1 ASN A 68 3.174 0.755 8.409 1.00 1.81 O ATOM 1029 ND2 ASN A 68 1.323 0.669 9.655 1.00 1.60 N ATOM 0 H ASN A 68 3.806 -0.220 6.735 1.00 0.42 H new ATOM 0 HA ASN A 68 1.304 -1.162 5.544 1.00 0.49 H new ATOM 0 HB2 ASN A 68 0.296 -0.514 7.677 1.00 0.74 H new ATOM 0 HB3 ASN A 68 1.613 -1.648 7.894 1.00 0.74 H new ATOM 0 HD21 ASN A 68 1.716 1.301 10.353 1.00 1.60 H new ATOM 0 HD22 ASN A 68 0.381 0.298 9.776 1.00 1.60 H new ATOM 1036 N ILE A 69 0.604 0.970 4.585 1.00 0.42 N ATOM 1037 CA ILE A 69 0.059 2.200 4.045 1.00 0.41 C ATOM 1038 C ILE A 69 -1.105 2.669 4.900 1.00 0.41 C ATOM 1039 O ILE A 69 -2.263 2.363 4.625 1.00 0.50 O ATOM 1040 CB ILE A 69 -0.401 2.031 2.580 1.00 0.50 C ATOM 1041 CG1 ILE A 69 -0.452 0.546 2.202 1.00 0.48 C ATOM 1042 CG2 ILE A 69 0.528 2.789 1.646 1.00 0.81 C ATOM 1043 CD1 ILE A 69 -1.005 0.282 0.818 1.00 0.74 C ATOM 0 H ILE A 69 0.335 0.130 4.074 1.00 0.42 H new ATOM 0 HA ILE A 69 0.852 2.948 4.060 1.00 0.41 H new ATOM 0 HB ILE A 69 -1.405 2.444 2.480 1.00 0.50 H new ATOM 0 HG12 ILE A 69 0.554 0.131 2.266 1.00 0.48 H new ATOM 0 HG13 ILE A 69 -1.062 0.016 2.933 1.00 0.48 H new ATOM 0 HG21 ILE A 69 0.193 2.662 0.617 1.00 0.81 H new ATOM 0 HG22 ILE A 69 0.517 3.848 1.903 1.00 0.81 H new ATOM 0 HG23 ILE A 69 1.542 2.402 1.748 1.00 0.81 H new ATOM 0 HD11 ILE A 69 -1.008 -0.791 0.626 1.00 0.74 H new ATOM 0 HD12 ILE A 69 -2.023 0.665 0.754 1.00 0.74 H new ATOM 0 HD13 ILE A 69 -0.382 0.781 0.076 1.00 0.74 H new ATOM 1055 N ARG A 70 -0.777 3.399 5.951 1.00 0.43 N ATOM 1056 CA ARG A 70 -1.770 3.880 6.890 1.00 0.45 C ATOM 1057 C ARG A 70 -2.120 5.317 6.554 1.00 0.39 C ATOM 1058 O ARG A 70 -1.237 6.089 6.182 1.00 0.41 O ATOM 1059 CB ARG A 70 -1.230 3.801 8.320 1.00 0.55 C ATOM 1060 CG ARG A 70 -2.296 3.954 9.393 1.00 1.33 C ATOM 1061 CD ARG A 70 -1.767 4.695 10.611 1.00 1.39 C ATOM 1062 NE ARG A 70 -1.724 6.143 10.392 1.00 2.23 N ATOM 1063 CZ ARG A 70 -1.367 7.027 11.325 1.00 2.69 C ATOM 1064 NH1 ARG A 70 -0.961 6.618 12.522 1.00 2.42 N ATOM 1065 NH2 ARG A 70 -1.414 8.327 11.062 1.00 3.79 N ATOM 0 H ARG A 70 0.180 3.673 6.175 1.00 0.43 H new ATOM 0 HA ARG A 70 -2.662 3.257 6.819 1.00 0.45 H new ATOM 0 HB2 ARG A 70 -0.728 2.843 8.455 1.00 0.55 H new ATOM 0 HB3 ARG A 70 -0.477 4.578 8.457 1.00 0.55 H new ATOM 0 HG2 ARG A 70 -3.151 4.492 8.983 1.00 1.33 H new ATOM 0 HG3 ARG A 70 -2.654 2.969 9.693 1.00 1.33 H new ATOM 0 HD2 ARG A 70 -2.399 4.476 11.472 1.00 1.39 H new ATOM 0 HD3 ARG A 70 -0.767 4.334 10.850 1.00 1.39 H new ATOM 0 HE ARG A 70 -1.983 6.496 9.471 1.00 2.23 H new ATOM 0 HH11 ARG A 70 -0.920 5.621 12.734 1.00 2.42 H new ATOM 0 HH12 ARG A 70 -0.690 7.301 13.229 1.00 2.42 H new ATOM 0 HH21 ARG A 70 -1.723 8.651 10.146 1.00 3.79 H new ATOM 0 HH22 ARG A 70 -1.141 9.002 11.776 1.00 3.79 H new ATOM 1079 N PRO A 71 -3.406 5.688 6.659 1.00 0.40 N ATOM 1080 CA PRO A 71 -3.856 7.062 6.433 1.00 0.44 C ATOM 1081 C PRO A 71 -2.945 8.095 7.080 1.00 0.47 C ATOM 1082 O PRO A 71 -2.500 7.920 8.220 1.00 0.55 O ATOM 1083 CB PRO A 71 -5.227 7.082 7.093 1.00 0.59 C ATOM 1084 CG PRO A 71 -5.738 5.693 6.942 1.00 0.54 C ATOM 1085 CD PRO A 71 -4.533 4.789 6.980 1.00 0.50 C ATOM 0 HA PRO A 71 -3.861 7.320 5.374 1.00 0.44 H new ATOM 0 HB2 PRO A 71 -5.157 7.366 8.143 1.00 0.59 H new ATOM 0 HB3 PRO A 71 -5.888 7.802 6.611 1.00 0.59 H new ATOM 0 HG2 PRO A 71 -6.434 5.446 7.744 1.00 0.54 H new ATOM 0 HG3 PRO A 71 -6.280 5.579 6.003 1.00 0.54 H new ATOM 0 HD2 PRO A 71 -4.410 4.328 7.960 1.00 0.50 H new ATOM 0 HD3 PRO A 71 -4.618 3.979 6.255 1.00 0.50 H new ATOM 1093 N MET A 72 -2.657 9.157 6.340 1.00 0.52 N ATOM 1094 CA MET A 72 -1.796 10.219 6.832 1.00 0.65 C ATOM 1095 C MET A 72 -2.431 10.898 8.037 1.00 0.81 C ATOM 1096 O MET A 72 -1.858 10.909 9.126 1.00 1.66 O ATOM 1097 CB MET A 72 -1.530 11.249 5.729 1.00 0.75 C ATOM 1098 CG MET A 72 -0.603 12.374 6.157 1.00 0.89 C ATOM 1099 SD MET A 72 1.032 11.780 6.628 1.00 1.54 S ATOM 1100 CE MET A 72 1.793 13.306 7.169 1.00 1.71 C ATOM 0 H MET A 72 -3.009 9.304 5.394 1.00 0.52 H new ATOM 0 HA MET A 72 -0.846 9.779 7.135 1.00 0.65 H new ATOM 0 HB2 MET A 72 -1.098 10.742 4.867 1.00 0.75 H new ATOM 0 HB3 MET A 72 -2.479 11.675 5.405 1.00 0.75 H new ATOM 0 HG2 MET A 72 -0.505 13.090 5.341 1.00 0.89 H new ATOM 0 HG3 MET A 72 -1.048 12.907 6.997 1.00 0.89 H new ATOM 0 HE1 MET A 72 2.814 13.108 7.494 1.00 1.71 H new ATOM 0 HE2 MET A 72 1.806 14.018 6.344 1.00 1.71 H new ATOM 0 HE3 MET A 72 1.222 13.723 7.999 1.00 1.71 H new ATOM 1110 N ASP A 73 -3.626 11.445 7.835 1.00 0.85 N ATOM 1111 CA ASP A 73 -4.351 12.118 8.905 1.00 0.91 C ATOM 1112 C ASP A 73 -5.840 12.209 8.588 1.00 0.97 C ATOM 1113 O ASP A 73 -6.243 12.989 7.722 1.00 1.54 O ATOM 1114 CB ASP A 73 -3.787 13.524 9.127 1.00 1.06 C ATOM 1115 CG ASP A 73 -4.488 14.258 10.253 1.00 1.38 C ATOM 1116 OD1 ASP A 73 -5.505 14.935 9.992 1.00 1.92 O ATOM 1117 OD2 ASP A 73 -4.023 14.164 11.407 1.00 1.74 O ATOM 0 H ASP A 73 -4.112 11.435 6.939 1.00 0.85 H new ATOM 0 HA ASP A 73 -4.225 11.530 9.814 1.00 0.91 H new ATOM 0 HB2 ASP A 73 -2.722 13.454 9.350 1.00 1.06 H new ATOM 0 HB3 ASP A 73 -3.883 14.100 8.207 1.00 1.06 H new ATOM 1122 N ASN A 74 -6.639 11.376 9.255 1.00 0.80 N ATOM 1123 CA ASN A 74 -8.103 11.460 9.179 1.00 0.90 C ATOM 1124 C ASN A 74 -8.776 10.476 10.145 1.00 1.03 C ATOM 1125 O ASN A 74 -9.052 10.813 11.298 1.00 1.89 O ATOM 1126 CB ASN A 74 -8.627 11.254 7.742 1.00 0.90 C ATOM 1127 CG ASN A 74 -7.970 10.096 7.014 1.00 1.11 C ATOM 1128 OD1 ASN A 74 -8.379 8.943 7.155 1.00 1.73 O ATOM 1129 ND2 ASN A 74 -6.964 10.398 6.208 1.00 1.21 N ATOM 0 H ASN A 74 -6.296 10.629 9.859 1.00 0.80 H new ATOM 0 HA ASN A 74 -8.369 12.472 9.483 1.00 0.90 H new ATOM 0 HB2 ASN A 74 -9.703 11.086 7.778 1.00 0.90 H new ATOM 0 HB3 ASN A 74 -8.466 12.169 7.171 1.00 0.90 H new ATOM 0 HD21 ASN A 74 -6.498 9.663 5.676 1.00 1.21 H new ATOM 0 HD22 ASN A 74 -6.655 11.366 6.119 1.00 1.21 H new ATOM 1136 N SER A 75 -9.022 9.261 9.684 1.00 0.90 N ATOM 1137 CA SER A 75 -9.714 8.259 10.476 1.00 0.90 C ATOM 1138 C SER A 75 -8.903 6.969 10.533 1.00 0.84 C ATOM 1139 O SER A 75 -7.785 6.907 10.019 1.00 0.93 O ATOM 1140 CB SER A 75 -11.098 7.991 9.881 1.00 0.93 C ATOM 1141 OG SER A 75 -11.895 9.166 9.887 1.00 1.70 O ATOM 0 H SER A 75 -8.749 8.943 8.754 1.00 0.90 H new ATOM 0 HA SER A 75 -9.832 8.635 11.492 1.00 0.90 H new ATOM 0 HB2 SER A 75 -10.993 7.625 8.860 1.00 0.93 H new ATOM 0 HB3 SER A 75 -11.597 7.207 10.451 1.00 0.93 H new ATOM 0 HG SER A 75 -12.773 8.968 9.500 1.00 1.70 H new ATOM 1147 N ALA A 76 -9.471 5.945 11.149 1.00 0.82 N ATOM 1148 CA ALA A 76 -8.777 4.680 11.319 1.00 0.78 C ATOM 1149 C ALA A 76 -9.231 3.658 10.286 1.00 0.63 C ATOM 1150 O ALA A 76 -10.418 3.564 9.969 1.00 0.77 O ATOM 1151 CB ALA A 76 -8.997 4.143 12.724 1.00 0.94 C ATOM 0 H ALA A 76 -10.413 5.966 11.540 1.00 0.82 H new ATOM 0 HA ALA A 76 -7.712 4.858 11.170 1.00 0.78 H new ATOM 0 HB1 ALA A 76 -8.471 3.195 12.838 1.00 0.94 H new ATOM 0 HB2 ALA A 76 -8.615 4.859 13.451 1.00 0.94 H new ATOM 0 HB3 ALA A 76 -10.063 3.989 12.892 1.00 0.94 H new ATOM 1157 N TRP A 77 -8.275 2.905 9.766 1.00 0.47 N ATOM 1158 CA TRP A 77 -8.553 1.834 8.818 1.00 0.38 C ATOM 1159 C TRP A 77 -8.207 0.485 9.446 1.00 0.40 C ATOM 1160 O TRP A 77 -7.327 0.405 10.303 1.00 0.50 O ATOM 1161 CB TRP A 77 -7.730 2.021 7.540 1.00 0.35 C ATOM 1162 CG TRP A 77 -8.282 3.025 6.565 1.00 0.31 C ATOM 1163 CD1 TRP A 77 -8.940 4.190 6.845 1.00 0.30 C ATOM 1164 CD2 TRP A 77 -8.199 2.946 5.137 1.00 0.32 C ATOM 1165 NE1 TRP A 77 -9.286 4.827 5.673 1.00 0.31 N ATOM 1166 CE2 TRP A 77 -8.837 4.083 4.614 1.00 0.32 C ATOM 1167 CE3 TRP A 77 -7.649 2.020 4.249 1.00 0.37 C ATOM 1168 CZ2 TRP A 77 -8.939 4.314 3.247 1.00 0.37 C ATOM 1169 CZ3 TRP A 77 -7.751 2.252 2.892 1.00 0.42 C ATOM 1170 CH2 TRP A 77 -8.393 3.392 2.401 1.00 0.42 C ATOM 0 H TRP A 77 -7.286 3.017 9.988 1.00 0.47 H new ATOM 0 HA TRP A 77 -9.613 1.863 8.566 1.00 0.38 H new ATOM 0 HB2 TRP A 77 -6.721 2.325 7.818 1.00 0.35 H new ATOM 0 HB3 TRP A 77 -7.646 1.058 7.037 1.00 0.35 H new ATOM 0 HD1 TRP A 77 -9.157 4.557 7.837 1.00 0.30 H new ATOM 0 HE1 TRP A 77 -9.794 5.709 5.605 1.00 0.31 H new ATOM 0 HE3 TRP A 77 -7.151 1.135 4.618 1.00 0.37 H new ATOM 0 HZ2 TRP A 77 -9.434 5.195 2.866 1.00 0.37 H new ATOM 0 HZ3 TRP A 77 -7.328 1.541 2.198 1.00 0.42 H new ATOM 0 HH2 TRP A 77 -8.458 3.546 1.334 1.00 0.42 H new ATOM 1181 N THR A 78 -8.898 -0.563 9.024 1.00 0.38 N ATOM 1182 CA THR A 78 -8.587 -1.912 9.464 1.00 0.40 C ATOM 1183 C THR A 78 -7.267 -2.355 8.839 1.00 0.36 C ATOM 1184 O THR A 78 -7.147 -2.460 7.616 1.00 0.37 O ATOM 1185 CB THR A 78 -9.712 -2.891 9.078 1.00 0.45 C ATOM 1186 OG1 THR A 78 -10.970 -2.394 9.562 1.00 0.51 O ATOM 1187 CG2 THR A 78 -9.456 -4.278 9.651 1.00 0.49 C ATOM 0 H THR A 78 -9.682 -0.503 8.374 1.00 0.38 H new ATOM 0 HA THR A 78 -8.497 -1.915 10.550 1.00 0.40 H new ATOM 0 HB THR A 78 -9.738 -2.970 7.991 1.00 0.45 H new ATOM 0 HG1 THR A 78 -11.685 -3.017 9.314 1.00 0.51 H new ATOM 0 HG21 THR A 78 -10.267 -4.947 9.362 1.00 0.49 H new ATOM 0 HG22 THR A 78 -8.513 -4.663 9.264 1.00 0.49 H new ATOM 0 HG23 THR A 78 -9.405 -4.219 10.738 1.00 0.49 H new ATOM 1195 N THR A 79 -6.277 -2.593 9.682 1.00 0.41 N ATOM 1196 CA THR A 79 -4.926 -2.835 9.211 1.00 0.40 C ATOM 1197 C THR A 79 -4.601 -4.323 9.101 1.00 0.38 C ATOM 1198 O THR A 79 -4.615 -5.060 10.090 1.00 0.50 O ATOM 1199 CB THR A 79 -3.890 -2.132 10.119 1.00 0.51 C ATOM 1200 OG1 THR A 79 -2.559 -2.508 9.746 1.00 0.53 O ATOM 1201 CG2 THR A 79 -4.124 -2.454 11.587 1.00 0.59 C ATOM 0 H THR A 79 -6.384 -2.624 10.696 1.00 0.41 H new ATOM 0 HA THR A 79 -4.868 -2.413 8.208 1.00 0.40 H new ATOM 0 HB THR A 79 -4.012 -1.057 9.983 1.00 0.51 H new ATOM 0 HG1 THR A 79 -2.314 -2.059 8.910 1.00 0.53 H new ATOM 0 HG21 THR A 79 -3.378 -1.943 12.195 1.00 0.59 H new ATOM 0 HG22 THR A 79 -5.120 -2.120 11.878 1.00 0.59 H new ATOM 0 HG23 THR A 79 -4.043 -3.530 11.741 1.00 0.59 H new ATOM 1209 N ASP A 80 -4.323 -4.753 7.880 1.00 0.33 N ATOM 1210 CA ASP A 80 -3.799 -6.086 7.620 1.00 0.32 C ATOM 1211 C ASP A 80 -2.519 -5.946 6.801 1.00 0.36 C ATOM 1212 O ASP A 80 -2.283 -4.896 6.204 1.00 0.40 O ATOM 1213 CB ASP A 80 -4.826 -6.943 6.878 1.00 0.34 C ATOM 1214 CG ASP A 80 -5.154 -8.223 7.616 1.00 1.08 C ATOM 1215 OD1 ASP A 80 -4.225 -8.993 7.925 1.00 1.70 O ATOM 1216 OD2 ASP A 80 -6.349 -8.468 7.890 1.00 1.65 O ATOM 0 H ASP A 80 -4.454 -4.188 7.041 1.00 0.33 H new ATOM 0 HA ASP A 80 -3.583 -6.587 8.564 1.00 0.32 H new ATOM 0 HB2 ASP A 80 -5.740 -6.366 6.734 1.00 0.34 H new ATOM 0 HB3 ASP A 80 -4.443 -7.187 5.887 1.00 0.34 H new ATOM 1221 N ASN A 81 -1.692 -6.983 6.763 1.00 0.44 N ATOM 1222 CA ASN A 81 -0.364 -6.870 6.154 1.00 0.57 C ATOM 1223 C ASN A 81 -0.447 -6.706 4.636 1.00 0.59 C ATOM 1224 O ASN A 81 0.503 -6.247 4.013 1.00 0.72 O ATOM 1225 CB ASN A 81 0.492 -8.092 6.485 1.00 0.68 C ATOM 1226 CG ASN A 81 1.976 -7.776 6.653 1.00 0.81 C ATOM 1227 OD1 ASN A 81 2.478 -6.737 5.990 1.00 1.39 O flip ATOM 1228 ND2 ASN A 81 2.676 -8.470 7.389 1.00 0.80 N flip ATOM 0 H ASN A 81 -1.910 -7.905 7.141 1.00 0.44 H new ATOM 0 HA ASN A 81 0.101 -5.977 6.572 1.00 0.57 H new ATOM 0 HB2 ASN A 81 0.120 -8.547 7.403 1.00 0.68 H new ATOM 0 HB3 ASN A 81 0.375 -8.832 5.693 1.00 0.68 H new ATOM 0 HD21 ASN A 81 2.266 -9.261 7.886 1.00 0.80 H new ATOM 0 HD22 ASN A 81 3.666 -8.255 7.503 1.00 0.80 H new ATOM 1235 N GLY A 82 -1.568 -7.108 4.049 1.00 0.55 N ATOM 1236 CA GLY A 82 -1.771 -6.933 2.619 1.00 0.65 C ATOM 1237 C GLY A 82 -3.184 -6.502 2.309 1.00 0.48 C ATOM 1238 O GLY A 82 -3.642 -6.577 1.170 1.00 0.57 O ATOM 0 H GLY A 82 -2.344 -7.554 4.538 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -1.071 -6.189 2.240 1.00 0.65 H new ATOM 0 HA3 GLY A 82 -1.553 -7.868 2.103 1.00 0.65 H new ATOM 1242 N VAL A 83 -3.870 -6.041 3.337 1.00 0.40 N ATOM 1243 CA VAL A 83 -5.235 -5.575 3.214 1.00 0.44 C ATOM 1244 C VAL A 83 -5.404 -4.321 4.056 1.00 0.36 C ATOM 1245 O VAL A 83 -5.109 -4.331 5.245 1.00 0.38 O ATOM 1246 CB VAL A 83 -6.251 -6.645 3.685 1.00 0.67 C ATOM 1247 CG1 VAL A 83 -7.662 -6.093 3.637 1.00 1.16 C ATOM 1248 CG2 VAL A 83 -6.151 -7.917 2.851 1.00 0.67 C ATOM 0 H VAL A 83 -3.494 -5.980 4.283 1.00 0.40 H new ATOM 0 HA VAL A 83 -5.431 -5.366 2.162 1.00 0.44 H new ATOM 0 HB VAL A 83 -6.007 -6.902 4.716 1.00 0.67 H new ATOM 0 HG11 VAL A 83 -8.363 -6.858 3.971 1.00 1.16 H new ATOM 0 HG12 VAL A 83 -7.735 -5.223 4.290 1.00 1.16 H new ATOM 0 HG13 VAL A 83 -7.904 -5.801 2.615 1.00 1.16 H new ATOM 0 HG21 VAL A 83 -6.878 -8.645 3.210 1.00 0.67 H new ATOM 0 HG22 VAL A 83 -6.356 -7.684 1.806 1.00 0.67 H new ATOM 0 HG23 VAL A 83 -5.147 -8.332 2.940 1.00 0.67 H new ATOM 1258 N PHE A 84 -5.856 -3.238 3.455 1.00 0.32 N ATOM 1259 CA PHE A 84 -6.002 -2.005 4.196 1.00 0.29 C ATOM 1260 C PHE A 84 -7.287 -1.332 3.785 1.00 0.29 C ATOM 1261 O PHE A 84 -7.380 -0.797 2.687 1.00 0.30 O ATOM 1262 CB PHE A 84 -4.807 -1.082 3.949 1.00 0.33 C ATOM 1263 CG PHE A 84 -4.236 -0.499 5.209 1.00 0.30 C ATOM 1264 CD1 PHE A 84 -4.810 0.621 5.789 1.00 0.32 C ATOM 1265 CD2 PHE A 84 -3.127 -1.066 5.813 1.00 0.33 C ATOM 1266 CE1 PHE A 84 -4.289 1.162 6.946 1.00 0.36 C ATOM 1267 CE2 PHE A 84 -2.600 -0.528 6.971 1.00 0.35 C ATOM 1268 CZ PHE A 84 -3.175 0.570 7.543 1.00 0.36 C ATOM 0 H PHE A 84 -6.124 -3.187 2.472 1.00 0.32 H new ATOM 0 HA PHE A 84 -6.035 -2.227 5.263 1.00 0.29 H new ATOM 0 HB2 PHE A 84 -4.028 -1.639 3.429 1.00 0.33 H new ATOM 0 HB3 PHE A 84 -5.114 -0.271 3.288 1.00 0.33 H new ATOM 0 HD1 PHE A 84 -5.675 1.076 5.330 1.00 0.32 H new ATOM 0 HD2 PHE A 84 -2.668 -1.939 5.374 1.00 0.33 H new ATOM 0 HE1 PHE A 84 -4.740 2.038 7.387 1.00 0.36 H new ATOM 0 HE2 PHE A 84 -1.730 -0.978 7.426 1.00 0.35 H new ATOM 0 HZ PHE A 84 -2.769 0.980 8.456 1.00 0.36 H new ATOM 1278 N TYR A 85 -8.280 -1.397 4.651 1.00 0.32 N ATOM 1279 CA TYR A 85 -9.591 -0.864 4.337 1.00 0.34 C ATOM 1280 C TYR A 85 -10.243 -0.295 5.577 1.00 0.34 C ATOM 1281 O TYR A 85 -10.104 -0.844 6.664 1.00 0.35 O ATOM 1282 CB TYR A 85 -10.491 -1.942 3.718 1.00 0.38 C ATOM 1283 CG TYR A 85 -10.835 -3.108 4.630 1.00 0.40 C ATOM 1284 CD1 TYR A 85 -9.845 -3.912 5.188 1.00 0.42 C ATOM 1285 CD2 TYR A 85 -12.161 -3.407 4.921 1.00 0.45 C ATOM 1286 CE1 TYR A 85 -10.168 -4.976 6.009 1.00 0.48 C ATOM 1287 CE2 TYR A 85 -12.488 -4.471 5.738 1.00 0.51 C ATOM 1288 CZ TYR A 85 -11.491 -5.251 6.280 1.00 0.53 C ATOM 1289 OH TYR A 85 -11.817 -6.316 7.090 1.00 0.59 O ATOM 0 H TYR A 85 -8.203 -1.814 5.579 1.00 0.32 H new ATOM 0 HA TYR A 85 -9.461 -0.065 3.607 1.00 0.34 H new ATOM 0 HB2 TYR A 85 -11.419 -1.473 3.391 1.00 0.38 H new ATOM 0 HB3 TYR A 85 -10.000 -2.333 2.827 1.00 0.38 H new ATOM 0 HD1 TYR A 85 -8.807 -3.701 4.976 1.00 0.42 H new ATOM 0 HD2 TYR A 85 -12.948 -2.798 4.501 1.00 0.45 H new ATOM 0 HE1 TYR A 85 -9.388 -5.589 6.436 1.00 0.48 H new ATOM 0 HE2 TYR A 85 -13.524 -4.691 5.952 1.00 0.51 H new ATOM 0 HH TYR A 85 -12.791 -6.371 7.181 1.00 0.59 H new ATOM 1299 N LYS A 86 -10.942 0.810 5.417 1.00 0.36 N ATOM 1300 CA LYS A 86 -11.644 1.404 6.533 1.00 0.37 C ATOM 1301 C LYS A 86 -12.902 0.607 6.833 1.00 0.39 C ATOM 1302 O LYS A 86 -13.596 0.153 5.919 1.00 0.42 O ATOM 1303 CB LYS A 86 -11.964 2.891 6.289 1.00 0.42 C ATOM 1304 CG LYS A 86 -13.041 3.198 5.254 1.00 0.57 C ATOM 1305 CD LYS A 86 -12.666 2.748 3.852 1.00 0.87 C ATOM 1306 CE LYS A 86 -13.529 3.436 2.806 1.00 0.61 C ATOM 1307 NZ LYS A 86 -14.937 3.605 3.255 1.00 1.39 N ATOM 0 H LYS A 86 -11.038 1.310 4.533 1.00 0.36 H new ATOM 0 HA LYS A 86 -10.990 1.368 7.404 1.00 0.37 H new ATOM 0 HB2 LYS A 86 -12.267 3.334 7.238 1.00 0.42 H new ATOM 0 HB3 LYS A 86 -11.045 3.391 5.983 1.00 0.42 H new ATOM 0 HG2 LYS A 86 -13.970 2.710 5.549 1.00 0.57 H new ATOM 0 HG3 LYS A 86 -13.233 4.271 5.246 1.00 0.57 H new ATOM 0 HD2 LYS A 86 -11.616 2.970 3.664 1.00 0.87 H new ATOM 0 HD3 LYS A 86 -12.783 1.667 3.770 1.00 0.87 H new ATOM 0 HE2 LYS A 86 -13.105 4.413 2.574 1.00 0.61 H new ATOM 0 HE3 LYS A 86 -13.512 2.854 1.885 1.00 0.61 H new ATOM 0 HZ1 LYS A 86 -15.561 3.669 2.425 1.00 1.39 H new ATOM 0 HZ2 LYS A 86 -15.216 2.789 3.836 1.00 1.39 H new ATOM 0 HZ3 LYS A 86 -15.020 4.475 3.818 1.00 1.39 H new ATOM 1321 N ASN A 87 -13.162 0.420 8.117 1.00 0.45 N ATOM 1322 CA ASN A 87 -14.300 -0.372 8.582 1.00 0.51 C ATOM 1323 C ASN A 87 -15.607 0.231 8.073 1.00 0.55 C ATOM 1324 O ASN A 87 -16.595 -0.471 7.849 1.00 0.83 O ATOM 1325 CB ASN A 87 -14.293 -0.418 10.115 1.00 0.61 C ATOM 1326 CG ASN A 87 -15.335 -1.352 10.711 1.00 1.35 C ATOM 1327 OD1 ASN A 87 -15.579 -2.483 10.070 1.00 2.00 O flip ATOM 1328 ND2 ASN A 87 -15.892 -1.071 11.770 1.00 2.12 N flip ATOM 0 H ASN A 87 -12.594 0.810 8.869 1.00 0.45 H new ATOM 0 HA ASN A 87 -14.218 -1.387 8.192 1.00 0.51 H new ATOM 0 HB2 ASN A 87 -13.305 -0.729 10.454 1.00 0.61 H new ATOM 0 HB3 ASN A 87 -14.460 0.588 10.499 1.00 0.61 H new ATOM 0 HD21 ASN A 87 -15.681 -0.190 12.239 1.00 2.12 H new ATOM 0 HD22 ASN A 87 -16.565 -1.719 12.180 1.00 2.12 H new ATOM 1335 N ASP A 88 -15.587 1.540 7.881 1.00 0.51 N ATOM 1336 CA ASP A 88 -16.738 2.270 7.370 1.00 0.54 C ATOM 1337 C ASP A 88 -16.907 2.033 5.874 1.00 0.46 C ATOM 1338 O ASP A 88 -15.931 2.032 5.124 1.00 0.53 O ATOM 1339 CB ASP A 88 -16.567 3.771 7.622 1.00 0.62 C ATOM 1340 CG ASP A 88 -16.394 4.108 9.088 1.00 1.32 C ATOM 1341 OD1 ASP A 88 -17.416 4.211 9.804 1.00 1.62 O ATOM 1342 OD2 ASP A 88 -15.237 4.261 9.536 1.00 2.10 O ATOM 0 H ASP A 88 -14.775 2.126 8.074 1.00 0.51 H new ATOM 0 HA ASP A 88 -17.624 1.908 7.892 1.00 0.54 H new ATOM 0 HB2 ASP A 88 -15.700 4.131 7.067 1.00 0.62 H new ATOM 0 HB3 ASP A 88 -17.437 4.301 7.233 1.00 0.62 H new ATOM 1347 N VAL A 89 -18.139 1.831 5.434 1.00 0.54 N ATOM 1348 CA VAL A 89 -18.416 1.729 4.010 1.00 0.51 C ATOM 1349 C VAL A 89 -18.736 3.109 3.448 1.00 0.51 C ATOM 1350 O VAL A 89 -19.520 3.862 4.026 1.00 0.77 O ATOM 1351 CB VAL A 89 -19.564 0.744 3.690 1.00 0.61 C ATOM 1352 CG1 VAL A 89 -19.181 -0.674 4.081 1.00 1.05 C ATOM 1353 CG2 VAL A 89 -20.855 1.153 4.385 1.00 0.93 C ATOM 0 H VAL A 89 -18.957 1.735 6.036 1.00 0.54 H new ATOM 0 HA VAL A 89 -17.519 1.331 3.535 1.00 0.51 H new ATOM 0 HB VAL A 89 -19.735 0.776 2.614 1.00 0.61 H new ATOM 0 HG11 VAL A 89 -20.003 -1.351 3.847 1.00 1.05 H new ATOM 0 HG12 VAL A 89 -18.293 -0.977 3.527 1.00 1.05 H new ATOM 0 HG13 VAL A 89 -18.972 -0.713 5.150 1.00 1.05 H new ATOM 0 HG21 VAL A 89 -21.642 0.440 4.139 1.00 0.93 H new ATOM 0 HG22 VAL A 89 -20.700 1.165 5.464 1.00 0.93 H new ATOM 0 HG23 VAL A 89 -21.149 2.148 4.050 1.00 0.93 H new ATOM 1363 N GLY A 90 -18.108 3.449 2.338 1.00 0.46 N ATOM 1364 CA GLY A 90 -18.252 4.776 1.788 1.00 0.46 C ATOM 1365 C GLY A 90 -16.983 5.227 1.117 1.00 0.39 C ATOM 1366 O GLY A 90 -16.053 4.436 0.952 1.00 0.43 O ATOM 0 H GLY A 90 -17.499 2.828 1.806 1.00 0.46 H new ATOM 0 HA2 GLY A 90 -19.071 4.788 1.069 1.00 0.46 H new ATOM 0 HA3 GLY A 90 -18.515 5.475 2.582 1.00 0.46 H new ATOM 1370 N SER A 91 -16.926 6.492 0.749 1.00 0.44 N ATOM 1371 CA SER A 91 -15.758 7.041 0.112 1.00 0.50 C ATOM 1372 C SER A 91 -14.680 7.304 1.160 1.00 0.48 C ATOM 1373 O SER A 91 -14.836 6.946 2.332 1.00 0.77 O ATOM 1374 CB SER A 91 -16.137 8.333 -0.618 1.00 0.69 C ATOM 1375 OG SER A 91 -17.255 8.123 -1.471 1.00 1.17 O ATOM 0 H SER A 91 -17.685 7.159 0.884 1.00 0.44 H new ATOM 0 HA SER A 91 -15.364 6.333 -0.617 1.00 0.50 H new ATOM 0 HB2 SER A 91 -16.370 9.111 0.109 1.00 0.69 H new ATOM 0 HB3 SER A 91 -15.289 8.687 -1.204 1.00 0.69 H new ATOM 0 HG SER A 91 -17.061 7.388 -2.089 1.00 1.17 H new ATOM 1381 N TRP A 92 -13.588 7.901 0.735 1.00 0.50 N ATOM 1382 CA TRP A 92 -12.505 8.246 1.639 1.00 0.45 C ATOM 1383 C TRP A 92 -11.591 9.263 0.980 1.00 0.44 C ATOM 1384 O TRP A 92 -11.393 10.354 1.510 1.00 0.49 O ATOM 1385 CB TRP A 92 -11.735 6.995 2.049 1.00 0.47 C ATOM 1386 CG TRP A 92 -10.744 7.284 3.116 1.00 0.44 C ATOM 1387 CD1 TRP A 92 -10.974 7.375 4.458 1.00 0.47 C ATOM 1388 CD2 TRP A 92 -9.368 7.555 2.921 1.00 0.43 C ATOM 1389 NE1 TRP A 92 -9.805 7.681 5.106 1.00 0.49 N ATOM 1390 CE2 TRP A 92 -8.805 7.798 4.179 1.00 0.47 C ATOM 1391 CE3 TRP A 92 -8.560 7.613 1.796 1.00 0.45 C ATOM 1392 CZ2 TRP A 92 -7.463 8.095 4.340 1.00 0.51 C ATOM 1393 CZ3 TRP A 92 -7.233 7.906 1.957 1.00 0.48 C ATOM 1394 CH2 TRP A 92 -6.691 8.148 3.221 1.00 0.51 C ATOM 0 H TRP A 92 -13.423 8.160 -0.238 1.00 0.50 H new ATOM 0 HA TRP A 92 -12.920 8.691 2.543 1.00 0.45 H new ATOM 0 HB2 TRP A 92 -12.434 6.236 2.398 1.00 0.47 H new ATOM 0 HB3 TRP A 92 -11.223 6.582 1.180 1.00 0.47 H new ATOM 0 HD1 TRP A 92 -11.931 7.228 4.937 1.00 0.47 H new ATOM 0 HE1 TRP A 92 -9.698 7.802 6.113 1.00 0.49 H new ATOM 0 HE3 TRP A 92 -8.969 7.431 0.813 1.00 0.45 H new ATOM 0 HZ2 TRP A 92 -7.044 8.278 5.318 1.00 0.51 H new ATOM 0 HZ3 TRP A 92 -6.592 7.951 1.089 1.00 0.48 H new ATOM 0 HH2 TRP A 92 -5.640 8.381 3.312 1.00 0.51 H new ATOM 1405 N GLY A 93 -11.082 8.882 -0.190 1.00 0.47 N ATOM 1406 CA GLY A 93 -10.212 9.735 -1.012 1.00 0.49 C ATOM 1407 C GLY A 93 -9.310 10.697 -0.242 1.00 0.57 C ATOM 1408 O GLY A 93 -9.711 11.816 0.084 1.00 1.25 O ATOM 0 H GLY A 93 -11.261 7.966 -0.602 1.00 0.47 H new ATOM 0 HA2 GLY A 93 -9.584 9.093 -1.630 1.00 0.49 H new ATOM 0 HA3 GLY A 93 -10.838 10.316 -1.689 1.00 0.49 H new ATOM 1412 N GLY A 94 -8.084 10.282 0.001 1.00 0.53 N ATOM 1413 CA GLY A 94 -7.146 11.106 0.726 1.00 0.50 C ATOM 1414 C GLY A 94 -5.749 10.539 0.665 1.00 0.50 C ATOM 1415 O GLY A 94 -5.471 9.652 -0.139 1.00 0.72 O ATOM 0 H GLY A 94 -7.716 9.378 -0.294 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -7.149 12.114 0.311 1.00 0.50 H new ATOM 0 HA3 GLY A 94 -7.461 11.189 1.766 1.00 0.50 H new ATOM 1419 N THR A 95 -4.869 11.025 1.513 1.00 0.46 N ATOM 1420 CA THR A 95 -3.495 10.571 1.504 1.00 0.45 C ATOM 1421 C THR A 95 -3.220 9.567 2.619 1.00 0.40 C ATOM 1422 O THR A 95 -3.557 9.800 3.783 1.00 0.45 O ATOM 1423 CB THR A 95 -2.529 11.762 1.637 1.00 0.53 C ATOM 1424 OG1 THR A 95 -2.998 12.658 2.657 1.00 0.60 O ATOM 1425 CG2 THR A 95 -2.399 12.504 0.316 1.00 0.60 C ATOM 0 H THR A 95 -5.079 11.733 2.216 1.00 0.46 H new ATOM 0 HA THR A 95 -3.331 10.073 0.548 1.00 0.45 H new ATOM 0 HB THR A 95 -1.547 11.380 1.914 1.00 0.53 H new ATOM 0 HG1 THR A 95 -3.401 12.142 3.386 1.00 0.60 H new ATOM 0 HG21 THR A 95 -1.711 13.341 0.435 1.00 0.60 H new ATOM 0 HG22 THR A 95 -2.016 11.825 -0.446 1.00 0.60 H new ATOM 0 HG23 THR A 95 -3.376 12.878 0.011 1.00 0.60 H new ATOM 1433 N ILE A 96 -2.640 8.433 2.251 1.00 0.38 N ATOM 1434 CA ILE A 96 -2.081 7.516 3.227 1.00 0.39 C ATOM 1435 C ILE A 96 -0.569 7.495 3.057 1.00 0.40 C ATOM 1436 O ILE A 96 -0.066 7.849 1.991 1.00 0.54 O ATOM 1437 CB ILE A 96 -2.633 6.068 3.126 1.00 0.49 C ATOM 1438 CG1 ILE A 96 -2.045 5.305 1.936 1.00 0.85 C ATOM 1439 CG2 ILE A 96 -4.152 6.064 3.058 1.00 0.93 C ATOM 1440 CD1 ILE A 96 -2.498 5.786 0.578 1.00 1.63 C ATOM 0 H ILE A 96 -2.546 8.128 1.282 1.00 0.38 H new ATOM 0 HA ILE A 96 -2.374 7.880 4.212 1.00 0.39 H new ATOM 0 HB ILE A 96 -2.322 5.551 4.034 1.00 0.49 H new ATOM 0 HG12 ILE A 96 -0.958 5.371 1.983 1.00 0.85 H new ATOM 0 HG13 ILE A 96 -2.305 4.251 2.036 1.00 0.85 H new ATOM 0 HG21 ILE A 96 -4.510 5.037 2.988 1.00 0.93 H new ATOM 0 HG22 ILE A 96 -4.558 6.529 3.956 1.00 0.93 H new ATOM 0 HG23 ILE A 96 -4.478 6.623 2.181 1.00 0.93 H new ATOM 0 HD11 ILE A 96 -2.026 5.183 -0.198 1.00 1.63 H new ATOM 0 HD12 ILE A 96 -3.581 5.693 0.502 1.00 1.63 H new ATOM 0 HD13 ILE A 96 -2.214 6.830 0.448 1.00 1.63 H new ATOM 1452 N GLY A 97 0.155 7.088 4.080 1.00 0.39 N ATOM 1453 CA GLY A 97 1.596 7.132 4.014 1.00 0.45 C ATOM 1454 C GLY A 97 2.219 5.761 4.105 1.00 0.39 C ATOM 1455 O GLY A 97 1.628 4.841 4.665 1.00 0.37 O ATOM 0 H GLY A 97 -0.227 6.728 4.955 1.00 0.39 H new ATOM 0 HA2 GLY A 97 1.900 7.605 3.080 1.00 0.45 H new ATOM 0 HA3 GLY A 97 1.975 7.755 4.824 1.00 0.45 H new ATOM 1459 N ILE A 98 3.405 5.622 3.537 1.00 0.38 N ATOM 1460 CA ILE A 98 4.159 4.387 3.644 1.00 0.36 C ATOM 1461 C ILE A 98 5.073 4.446 4.858 1.00 0.38 C ATOM 1462 O ILE A 98 5.976 5.280 4.921 1.00 0.42 O ATOM 1463 CB ILE A 98 5.002 4.099 2.371 1.00 0.41 C ATOM 1464 CG1 ILE A 98 4.112 3.646 1.212 1.00 0.50 C ATOM 1465 CG2 ILE A 98 6.073 3.053 2.645 1.00 0.45 C ATOM 1466 CD1 ILE A 98 3.345 4.764 0.545 1.00 0.83 C ATOM 0 H ILE A 98 3.867 6.353 2.995 1.00 0.38 H new ATOM 0 HA ILE A 98 3.440 3.575 3.753 1.00 0.36 H new ATOM 0 HB ILE A 98 5.493 5.030 2.089 1.00 0.41 H new ATOM 0 HG12 ILE A 98 4.732 3.150 0.465 1.00 0.50 H new ATOM 0 HG13 ILE A 98 3.403 2.905 1.581 1.00 0.50 H new ATOM 0 HG21 ILE A 98 6.646 2.873 1.736 1.00 0.45 H new ATOM 0 HG22 ILE A 98 6.740 3.412 3.429 1.00 0.45 H new ATOM 0 HG23 ILE A 98 5.601 2.125 2.966 1.00 0.45 H new ATOM 0 HD11 ILE A 98 2.740 4.357 -0.265 1.00 0.83 H new ATOM 0 HD12 ILE A 98 2.696 5.247 1.276 1.00 0.83 H new ATOM 0 HD13 ILE A 98 4.045 5.496 0.142 1.00 0.83 H new ATOM 1478 N TYR A 99 4.803 3.593 5.832 1.00 0.42 N ATOM 1479 CA TYR A 99 5.660 3.469 6.999 1.00 0.53 C ATOM 1480 C TYR A 99 6.245 2.059 7.021 1.00 0.44 C ATOM 1481 O TYR A 99 5.544 1.096 6.710 1.00 0.50 O ATOM 1482 CB TYR A 99 4.882 3.708 8.307 1.00 0.73 C ATOM 1483 CG TYR A 99 3.867 4.837 8.282 1.00 0.55 C ATOM 1484 CD1 TYR A 99 2.638 4.678 7.657 1.00 0.74 C ATOM 1485 CD2 TYR A 99 4.149 6.070 8.858 1.00 0.88 C ATOM 1486 CE1 TYR A 99 1.720 5.711 7.613 1.00 0.82 C ATOM 1487 CE2 TYR A 99 3.236 7.105 8.818 1.00 1.11 C ATOM 1488 CZ TYR A 99 1.986 6.889 8.276 1.00 0.92 C ATOM 1489 OH TYR A 99 1.113 7.953 8.156 1.00 1.28 O ATOM 0 H TYR A 99 3.993 2.973 5.837 1.00 0.42 H new ATOM 0 HA TYR A 99 6.445 4.222 6.932 1.00 0.53 H new ATOM 0 HB2 TYR A 99 4.364 2.786 8.572 1.00 0.73 H new ATOM 0 HB3 TYR A 99 5.600 3.909 9.102 1.00 0.73 H new ATOM 0 HD1 TYR A 99 2.395 3.732 7.197 1.00 0.74 H new ATOM 0 HD2 TYR A 99 5.100 6.221 9.346 1.00 0.88 H new ATOM 0 HE1 TYR A 99 0.799 5.595 7.061 1.00 0.82 H new ATOM 0 HE2 TYR A 99 3.499 8.077 9.208 1.00 1.11 H new ATOM 0 HH TYR A 99 1.443 8.709 8.686 1.00 1.28 H new ATOM 1499 N VAL A 100 7.517 1.932 7.369 1.00 0.44 N ATOM 1500 CA VAL A 100 8.143 0.619 7.468 1.00 0.40 C ATOM 1501 C VAL A 100 7.671 -0.087 8.729 1.00 0.42 C ATOM 1502 O VAL A 100 7.810 0.442 9.832 1.00 0.56 O ATOM 1503 CB VAL A 100 9.686 0.705 7.496 1.00 0.50 C ATOM 1504 CG1 VAL A 100 10.302 -0.677 7.657 1.00 1.14 C ATOM 1505 CG2 VAL A 100 10.210 1.371 6.243 1.00 0.78 C ATOM 0 H VAL A 100 8.133 2.715 7.586 1.00 0.44 H new ATOM 0 HA VAL A 100 7.849 0.059 6.580 1.00 0.40 H new ATOM 0 HB VAL A 100 9.972 1.312 8.355 1.00 0.50 H new ATOM 0 HG11 VAL A 100 11.388 -0.591 7.674 1.00 1.14 H new ATOM 0 HG12 VAL A 100 9.958 -1.122 8.591 1.00 1.14 H new ATOM 0 HG13 VAL A 100 10.001 -1.309 6.822 1.00 1.14 H new ATOM 0 HG21 VAL A 100 11.298 1.420 6.285 1.00 0.78 H new ATOM 0 HG22 VAL A 100 9.906 0.793 5.370 1.00 0.78 H new ATOM 0 HG23 VAL A 100 9.804 2.380 6.170 1.00 0.78 H new ATOM 1515 N ASP A 101 7.108 -1.273 8.575 1.00 0.40 N ATOM 1516 CA ASP A 101 6.706 -2.058 9.728 1.00 0.50 C ATOM 1517 C ASP A 101 7.941 -2.725 10.319 1.00 0.59 C ATOM 1518 O ASP A 101 8.296 -3.844 9.949 1.00 0.77 O ATOM 1519 CB ASP A 101 5.651 -3.103 9.347 1.00 0.67 C ATOM 1520 CG ASP A 101 5.010 -3.748 10.563 1.00 0.83 C ATOM 1521 OD1 ASP A 101 4.007 -3.203 11.077 1.00 0.93 O ATOM 1522 OD2 ASP A 101 5.500 -4.802 11.016 1.00 1.02 O ATOM 0 H ASP A 101 6.921 -1.710 7.672 1.00 0.40 H new ATOM 0 HA ASP A 101 6.253 -1.401 10.471 1.00 0.50 H new ATOM 0 HB2 ASP A 101 4.879 -2.631 8.740 1.00 0.67 H new ATOM 0 HB3 ASP A 101 6.113 -3.874 8.731 1.00 0.67 H new ATOM 1527 N GLY A 102 8.625 -2.002 11.194 1.00 0.61 N ATOM 1528 CA GLY A 102 9.881 -2.481 11.725 1.00 0.81 C ATOM 1529 C GLY A 102 11.058 -2.023 10.884 1.00 0.85 C ATOM 1530 O GLY A 102 11.511 -2.755 10.002 1.00 1.53 O ATOM 0 H GLY A 102 8.330 -1.091 11.545 1.00 0.61 H new ATOM 0 HA2 GLY A 102 10.004 -2.124 12.747 1.00 0.81 H new ATOM 0 HA3 GLY A 102 9.866 -3.570 11.768 1.00 0.81 H new ATOM 1534 N GLN A 103 11.521 -0.792 11.143 1.00 0.64 N ATOM 1535 CA GLN A 103 12.676 -0.208 10.457 1.00 0.60 C ATOM 1536 C GLN A 103 13.803 -1.217 10.238 1.00 0.61 C ATOM 1537 O GLN A 103 14.377 -1.755 11.188 1.00 0.65 O ATOM 1538 CB GLN A 103 13.208 0.992 11.250 1.00 0.71 C ATOM 1539 CG GLN A 103 13.371 0.725 12.742 1.00 1.01 C ATOM 1540 CD GLN A 103 14.081 1.848 13.478 1.00 1.35 C ATOM 1541 OE1 GLN A 103 15.017 2.508 12.811 1.00 1.78 O flip ATOM 1542 NE2 GLN A 103 13.806 2.109 14.649 1.00 2.11 N flip ATOM 0 H GLN A 103 11.102 -0.173 11.837 1.00 0.64 H new ATOM 0 HA GLN A 103 12.331 0.114 9.475 1.00 0.60 H new ATOM 0 HB2 GLN A 103 14.172 1.289 10.837 1.00 0.71 H new ATOM 0 HB3 GLN A 103 12.530 1.834 11.114 1.00 0.71 H new ATOM 0 HG2 GLN A 103 12.387 0.573 13.187 1.00 1.01 H new ATOM 0 HG3 GLN A 103 13.930 -0.201 12.880 1.00 1.01 H new ATOM 0 HE21 GLN A 103 13.080 1.581 15.132 1.00 2.11 H new ATOM 0 HE22 GLN A 103 14.305 2.854 15.136 1.00 2.11 H new ATOM 1551 N GLN A 104 14.110 -1.466 8.970 1.00 0.73 N ATOM 1552 CA GLN A 104 15.202 -2.355 8.604 1.00 0.94 C ATOM 1553 C GLN A 104 16.504 -1.557 8.459 1.00 1.02 C ATOM 1554 O GLN A 104 17.540 -2.091 8.067 1.00 1.28 O ATOM 1555 CB GLN A 104 14.860 -3.101 7.304 1.00 1.12 C ATOM 1556 CG GLN A 104 15.829 -4.227 6.977 1.00 1.96 C ATOM 1557 CD GLN A 104 15.302 -5.177 5.922 1.00 1.98 C ATOM 1558 OE1 GLN A 104 16.069 -5.731 5.137 1.00 2.02 O ATOM 1559 NE2 GLN A 104 14.000 -5.402 5.915 1.00 2.62 N ATOM 0 H GLN A 104 13.614 -1.061 8.176 1.00 0.73 H new ATOM 0 HA GLN A 104 15.344 -3.094 9.392 1.00 0.94 H new ATOM 0 HB2 GLN A 104 13.853 -3.511 7.384 1.00 1.12 H new ATOM 0 HB3 GLN A 104 14.850 -2.390 6.478 1.00 1.12 H new ATOM 0 HG2 GLN A 104 16.771 -3.799 6.634 1.00 1.96 H new ATOM 0 HG3 GLN A 104 16.046 -4.787 7.886 1.00 1.96 H new ATOM 0 HE21 GLN A 104 13.396 -4.923 6.583 1.00 2.62 H new ATOM 0 HE22 GLN A 104 13.599 -6.055 5.242 1.00 2.62 H new ATOM 1568 N THR A 105 16.431 -0.266 8.788 1.00 1.14 N ATOM 1569 CA THR A 105 17.601 0.619 8.779 1.00 1.42 C ATOM 1570 C THR A 105 18.197 0.742 7.367 1.00 1.11 C ATOM 1571 O THR A 105 19.365 1.088 7.192 1.00 1.04 O ATOM 1572 CB THR A 105 18.664 0.121 9.793 1.00 1.90 C ATOM 1573 OG1 THR A 105 18.027 -0.179 11.045 1.00 2.27 O ATOM 1574 CG2 THR A 105 19.743 1.168 10.033 1.00 2.43 C ATOM 0 H THR A 105 15.565 0.195 9.067 1.00 1.14 H new ATOM 0 HA THR A 105 17.276 1.614 9.084 1.00 1.42 H new ATOM 0 HB THR A 105 19.132 -0.770 9.375 1.00 1.90 H new ATOM 0 HG1 THR A 105 18.698 -0.495 11.686 1.00 2.27 H new ATOM 0 HG21 THR A 105 20.470 0.784 10.749 1.00 2.43 H new ATOM 0 HG22 THR A 105 20.245 1.395 9.093 1.00 2.43 H new ATOM 0 HG23 THR A 105 19.288 2.075 10.430 1.00 2.43 H new ATOM 1582 N ASN A 106 17.358 0.485 6.362 1.00 1.04 N ATOM 1583 CA ASN A 106 17.741 0.620 4.958 1.00 0.88 C ATOM 1584 C ASN A 106 18.792 -0.408 4.555 1.00 0.81 C ATOM 1585 O ASN A 106 19.993 -0.194 4.722 1.00 0.79 O ATOM 1586 CB ASN A 106 18.249 2.035 4.657 1.00 0.97 C ATOM 1587 CG ASN A 106 18.590 2.242 3.194 1.00 0.86 C ATOM 1588 OD1 ASN A 106 17.729 2.612 2.392 1.00 1.56 O ATOM 1589 ND2 ASN A 106 19.844 2.018 2.838 1.00 0.80 N ATOM 0 H ASN A 106 16.395 0.178 6.500 1.00 1.04 H new ATOM 0 HA ASN A 106 16.844 0.435 4.367 1.00 0.88 H new ATOM 0 HB2 ASN A 106 17.490 2.759 4.954 1.00 0.97 H new ATOM 0 HB3 ASN A 106 19.133 2.234 5.262 1.00 0.97 H new ATOM 0 HD21 ASN A 106 20.130 2.151 1.868 1.00 0.80 H new ATOM 0 HD22 ASN A 106 20.525 1.713 3.533 1.00 0.80 H new ATOM 1596 N THR A 107 18.325 -1.527 4.040 1.00 0.86 N ATOM 1597 CA THR A 107 19.201 -2.530 3.469 1.00 0.89 C ATOM 1598 C THR A 107 19.698 -2.056 2.125 1.00 0.80 C ATOM 1599 O THR A 107 18.965 -1.344 1.448 1.00 0.86 O ATOM 1600 CB THR A 107 18.450 -3.858 3.293 1.00 1.13 C ATOM 1601 OG1 THR A 107 17.071 -3.676 3.660 1.00 1.68 O ATOM 1602 CG2 THR A 107 19.071 -4.952 4.139 1.00 1.53 C ATOM 0 H THR A 107 17.334 -1.766 4.005 1.00 0.86 H new ATOM 0 HA THR A 107 20.044 -2.686 4.143 1.00 0.89 H new ATOM 0 HB THR A 107 18.518 -4.162 2.248 1.00 1.13 H new ATOM 0 HG1 THR A 107 16.727 -4.502 4.060 1.00 1.68 H new ATOM 0 HG21 THR A 107 18.519 -5.881 3.995 1.00 1.53 H new ATOM 0 HG22 THR A 107 20.110 -5.097 3.841 1.00 1.53 H new ATOM 0 HG23 THR A 107 19.031 -4.666 5.190 1.00 1.53 H new ATOM 1610 N PRO A 108 20.944 -2.434 1.737 1.00 0.82 N ATOM 1611 CA PRO A 108 21.583 -2.006 0.482 1.00 0.84 C ATOM 1612 C PRO A 108 20.627 -2.053 -0.707 1.00 0.76 C ATOM 1613 O PRO A 108 20.440 -3.094 -1.341 1.00 0.91 O ATOM 1614 CB PRO A 108 22.738 -3.006 0.293 1.00 1.07 C ATOM 1615 CG PRO A 108 22.599 -4.009 1.396 1.00 1.26 C ATOM 1616 CD PRO A 108 21.829 -3.325 2.487 1.00 0.99 C ATOM 0 HA PRO A 108 21.914 -0.969 0.534 1.00 0.84 H new ATOM 0 HB2 PRO A 108 22.681 -3.488 -0.683 1.00 1.07 H new ATOM 0 HB3 PRO A 108 23.703 -2.502 0.343 1.00 1.07 H new ATOM 0 HG2 PRO A 108 22.075 -4.900 1.049 1.00 1.26 H new ATOM 0 HG3 PRO A 108 23.576 -4.333 1.753 1.00 1.26 H new ATOM 0 HD2 PRO A 108 21.269 -4.035 3.096 1.00 0.99 H new ATOM 0 HD3 PRO A 108 22.484 -2.773 3.162 1.00 0.99 H new ATOM 1624 N PRO A 109 19.989 -0.915 -0.993 1.00 0.61 N ATOM 1625 CA PRO A 109 18.902 -0.833 -1.939 1.00 0.56 C ATOM 1626 C PRO A 109 19.306 -0.365 -3.330 1.00 0.57 C ATOM 1627 O PRO A 109 20.485 -0.323 -3.688 1.00 0.76 O ATOM 1628 CB PRO A 109 18.002 0.211 -1.279 1.00 0.59 C ATOM 1629 CG PRO A 109 18.926 1.113 -0.515 1.00 0.64 C ATOM 1630 CD PRO A 109 20.243 0.383 -0.359 1.00 0.63 C ATOM 0 HA PRO A 109 18.453 -1.809 -2.120 1.00 0.56 H new ATOM 0 HB2 PRO A 109 17.437 0.770 -2.025 1.00 0.59 H new ATOM 0 HB3 PRO A 109 17.276 -0.260 -0.616 1.00 0.59 H new ATOM 0 HG2 PRO A 109 19.069 2.054 -1.046 1.00 0.64 H new ATOM 0 HG3 PRO A 109 18.505 1.358 0.460 1.00 0.64 H new ATOM 0 HD2 PRO A 109 21.058 0.916 -0.848 1.00 0.63 H new ATOM 0 HD3 PRO A 109 20.519 0.271 0.690 1.00 0.63 H new ATOM 1638 N GLY A 110 18.285 -0.010 -4.093 1.00 0.49 N ATOM 1639 CA GLY A 110 18.447 0.510 -5.427 1.00 0.58 C ATOM 1640 C GLY A 110 17.136 1.106 -5.879 1.00 0.54 C ATOM 1641 O GLY A 110 16.832 2.260 -5.574 1.00 0.76 O ATOM 0 H GLY A 110 17.312 -0.078 -3.793 1.00 0.49 H new ATOM 0 HA2 GLY A 110 19.232 1.267 -5.445 1.00 0.58 H new ATOM 0 HA3 GLY A 110 18.755 -0.284 -6.107 1.00 0.58 H new ATOM 1645 N ASN A 111 16.332 0.307 -6.551 1.00 0.45 N ATOM 1646 CA ASN A 111 14.960 0.683 -6.833 1.00 0.44 C ATOM 1647 C ASN A 111 14.031 -0.276 -6.109 1.00 0.42 C ATOM 1648 O ASN A 111 14.122 -1.490 -6.278 1.00 0.58 O ATOM 1649 CB ASN A 111 14.664 0.663 -8.335 1.00 0.56 C ATOM 1650 CG ASN A 111 13.290 1.217 -8.653 1.00 1.10 C ATOM 1651 OD1 ASN A 111 12.788 2.099 -7.954 1.00 2.04 O ATOM 1652 ND2 ASN A 111 12.668 0.699 -9.700 1.00 1.41 N ATOM 0 H ASN A 111 16.604 -0.607 -6.912 1.00 0.45 H new ATOM 0 HA ASN A 111 14.801 1.703 -6.483 1.00 0.44 H new ATOM 0 HB2 ASN A 111 15.420 1.246 -8.861 1.00 0.56 H new ATOM 0 HB3 ASN A 111 14.736 -0.360 -8.705 1.00 0.56 H new ATOM 0 HD21 ASN A 111 11.737 1.029 -9.955 1.00 1.41 H new ATOM 0 HD22 ASN A 111 13.120 -0.030 -10.252 1.00 1.41 H new ATOM 1659 N TYR A 112 13.166 0.258 -5.275 1.00 0.35 N ATOM 1660 CA TYR A 112 12.227 -0.563 -4.544 1.00 0.37 C ATOM 1661 C TYR A 112 10.830 -0.348 -5.079 1.00 0.42 C ATOM 1662 O TYR A 112 10.263 0.741 -4.985 1.00 0.55 O ATOM 1663 CB TYR A 112 12.314 -0.287 -3.042 1.00 0.40 C ATOM 1664 CG TYR A 112 13.299 -1.199 -2.340 1.00 0.40 C ATOM 1665 CD1 TYR A 112 14.655 -1.141 -2.627 1.00 0.64 C ATOM 1666 CD2 TYR A 112 12.874 -2.105 -1.378 1.00 0.68 C ATOM 1667 CE1 TYR A 112 15.560 -1.964 -1.980 1.00 0.67 C ATOM 1668 CE2 TYR A 112 13.774 -2.927 -0.727 1.00 0.75 C ATOM 1669 CZ TYR A 112 15.101 -2.893 -1.069 1.00 0.59 C ATOM 1670 OH TYR A 112 16.006 -3.671 -0.388 1.00 0.69 O ATOM 0 H TYR A 112 13.094 1.258 -5.086 1.00 0.35 H new ATOM 0 HA TYR A 112 12.484 -1.612 -4.688 1.00 0.37 H new ATOM 0 HB2 TYR A 112 12.608 0.751 -2.883 1.00 0.40 H new ATOM 0 HB3 TYR A 112 11.327 -0.411 -2.595 1.00 0.40 H new ATOM 0 HD1 TYR A 112 15.011 -0.441 -3.369 1.00 0.64 H new ATOM 0 HD2 TYR A 112 11.824 -2.168 -1.135 1.00 0.68 H new ATOM 0 HE1 TYR A 112 16.617 -1.880 -2.186 1.00 0.67 H new ATOM 0 HE2 TYR A 112 13.433 -3.595 0.050 1.00 0.75 H new ATOM 0 HH TYR A 112 15.540 -4.184 0.305 1.00 0.69 H new ATOM 1680 N THR A 113 10.303 -1.398 -5.667 1.00 0.38 N ATOM 1681 CA THR A 113 9.035 -1.348 -6.350 1.00 0.46 C ATOM 1682 C THR A 113 7.906 -1.788 -5.427 1.00 0.51 C ATOM 1683 O THR A 113 8.041 -2.753 -4.678 1.00 0.83 O ATOM 1684 CB THR A 113 9.083 -2.256 -7.592 1.00 0.62 C ATOM 1685 OG1 THR A 113 10.195 -1.880 -8.420 1.00 0.66 O ATOM 1686 CG2 THR A 113 7.792 -2.171 -8.397 1.00 0.74 C ATOM 0 H THR A 113 10.747 -2.316 -5.684 1.00 0.38 H new ATOM 0 HA THR A 113 8.844 -0.320 -6.657 1.00 0.46 H new ATOM 0 HB THR A 113 9.201 -3.286 -7.254 1.00 0.62 H new ATOM 0 HG1 THR A 113 10.226 -2.460 -9.210 1.00 0.66 H new ATOM 0 HG21 THR A 113 7.862 -2.825 -9.266 1.00 0.74 H new ATOM 0 HG22 THR A 113 6.954 -2.483 -7.774 1.00 0.74 H new ATOM 0 HG23 THR A 113 7.636 -1.144 -8.727 1.00 0.74 H new ATOM 1694 N LEU A 114 6.819 -1.045 -5.452 1.00 0.34 N ATOM 1695 CA LEU A 114 5.623 -1.419 -4.726 1.00 0.38 C ATOM 1696 C LEU A 114 4.391 -0.937 -5.483 1.00 0.40 C ATOM 1697 O LEU A 114 3.941 0.197 -5.323 1.00 0.47 O ATOM 1698 CB LEU A 114 5.638 -0.874 -3.288 1.00 0.43 C ATOM 1699 CG LEU A 114 6.067 0.585 -3.136 1.00 0.41 C ATOM 1700 CD1 LEU A 114 5.369 1.219 -1.943 1.00 0.51 C ATOM 1701 CD2 LEU A 114 7.577 0.691 -2.975 1.00 0.41 C ATOM 0 H LEU A 114 6.739 -0.171 -5.972 1.00 0.34 H new ATOM 0 HA LEU A 114 5.591 -2.506 -4.652 1.00 0.38 H new ATOM 0 HB2 LEU A 114 4.639 -0.985 -2.867 1.00 0.43 H new ATOM 0 HB3 LEU A 114 6.307 -1.494 -2.691 1.00 0.43 H new ATOM 0 HG LEU A 114 5.778 1.120 -4.041 1.00 0.41 H new ATOM 0 HD11 LEU A 114 5.684 2.258 -1.847 1.00 0.51 H new ATOM 0 HD12 LEU A 114 4.290 1.179 -2.090 1.00 0.51 H new ATOM 0 HD13 LEU A 114 5.632 0.675 -1.036 1.00 0.51 H new ATOM 0 HD21 LEU A 114 7.859 1.739 -2.869 1.00 0.41 H new ATOM 0 HD22 LEU A 114 7.888 0.140 -2.088 1.00 0.41 H new ATOM 0 HD23 LEU A 114 8.067 0.271 -3.853 1.00 0.41 H new ATOM 1713 N THR A 115 3.879 -1.794 -6.345 1.00 0.42 N ATOM 1714 CA THR A 115 2.715 -1.473 -7.141 1.00 0.45 C ATOM 1715 C THR A 115 1.448 -1.710 -6.332 1.00 0.44 C ATOM 1716 O THR A 115 1.323 -2.717 -5.636 1.00 0.47 O ATOM 1717 CB THR A 115 2.674 -2.319 -8.427 1.00 0.49 C ATOM 1718 OG1 THR A 115 3.899 -2.161 -9.151 1.00 0.56 O ATOM 1719 CG2 THR A 115 1.502 -1.918 -9.315 1.00 0.59 C ATOM 0 H THR A 115 4.257 -2.727 -6.511 1.00 0.42 H new ATOM 0 HA THR A 115 2.777 -0.421 -7.421 1.00 0.45 H new ATOM 0 HB THR A 115 2.546 -3.363 -8.141 1.00 0.49 H new ATOM 0 HG1 THR A 115 3.846 -1.359 -9.712 1.00 0.56 H new ATOM 0 HG21 THR A 115 1.500 -2.533 -10.215 1.00 0.59 H new ATOM 0 HG22 THR A 115 0.568 -2.065 -8.773 1.00 0.59 H new ATOM 0 HG23 THR A 115 1.599 -0.869 -9.593 1.00 0.59 H new ATOM 1727 N LEU A 116 0.527 -0.773 -6.410 1.00 0.45 N ATOM 1728 CA LEU A 116 -0.740 -0.883 -5.720 1.00 0.47 C ATOM 1729 C LEU A 116 -1.874 -0.892 -6.730 1.00 0.48 C ATOM 1730 O LEU A 116 -2.033 0.050 -7.508 1.00 0.63 O ATOM 1731 CB LEU A 116 -0.909 0.280 -4.750 1.00 0.54 C ATOM 1732 CG LEU A 116 0.082 0.313 -3.584 1.00 0.61 C ATOM 1733 CD1 LEU A 116 -0.123 1.568 -2.749 1.00 1.27 C ATOM 1734 CD2 LEU A 116 -0.063 -0.929 -2.718 1.00 1.05 C ATOM 0 H LEU A 116 0.635 0.084 -6.952 1.00 0.45 H new ATOM 0 HA LEU A 116 -0.760 -1.815 -5.155 1.00 0.47 H new ATOM 0 HB2 LEU A 116 -0.818 1.212 -5.308 1.00 0.54 H new ATOM 0 HB3 LEU A 116 -1.920 0.248 -4.344 1.00 0.54 H new ATOM 0 HG LEU A 116 1.092 0.328 -3.994 1.00 0.61 H new ATOM 0 HD11 LEU A 116 0.589 1.576 -1.924 1.00 1.27 H new ATOM 0 HD12 LEU A 116 0.033 2.449 -3.372 1.00 1.27 H new ATOM 0 HD13 LEU A 116 -1.138 1.579 -2.352 1.00 1.27 H new ATOM 0 HD21 LEU A 116 0.651 -0.884 -1.896 1.00 1.05 H new ATOM 0 HD22 LEU A 116 -1.076 -0.977 -2.317 1.00 1.05 H new ATOM 0 HD23 LEU A 116 0.132 -1.817 -3.320 1.00 1.05 H new ATOM 1746 N THR A 117 -2.643 -1.960 -6.734 1.00 0.44 N ATOM 1747 CA THR A 117 -3.761 -2.077 -7.641 1.00 0.48 C ATOM 1748 C THR A 117 -5.028 -1.570 -6.970 1.00 0.58 C ATOM 1749 O THR A 117 -5.515 -2.176 -6.013 1.00 0.70 O ATOM 1750 CB THR A 117 -3.953 -3.536 -8.091 1.00 0.53 C ATOM 1751 OG1 THR A 117 -2.710 -4.046 -8.588 1.00 0.56 O ATOM 1752 CG2 THR A 117 -5.015 -3.638 -9.176 1.00 0.57 C ATOM 0 H THR A 117 -2.512 -2.761 -6.116 1.00 0.44 H new ATOM 0 HA THR A 117 -3.552 -1.471 -8.523 1.00 0.48 H new ATOM 0 HB THR A 117 -4.282 -4.123 -7.233 1.00 0.53 H new ATOM 0 HG1 THR A 117 -2.829 -4.976 -8.874 1.00 0.56 H new ATOM 0 HG21 THR A 117 -5.130 -4.680 -9.475 1.00 0.57 H new ATOM 0 HG22 THR A 117 -5.964 -3.263 -8.793 1.00 0.57 H new ATOM 0 HG23 THR A 117 -4.712 -3.044 -10.038 1.00 0.57 H new ATOM 1760 N GLY A 118 -5.530 -0.438 -7.449 1.00 0.63 N ATOM 1761 CA GLY A 118 -6.755 0.110 -6.913 1.00 0.79 C ATOM 1762 C GLY A 118 -7.893 -0.878 -7.008 1.00 0.64 C ATOM 1763 O GLY A 118 -8.256 -1.306 -8.101 1.00 0.80 O ATOM 0 H GLY A 118 -5.108 0.108 -8.200 1.00 0.63 H new ATOM 0 HA2 GLY A 118 -6.603 0.392 -5.871 1.00 0.79 H new ATOM 0 HA3 GLY A 118 -7.015 1.019 -7.455 1.00 0.79 H new ATOM 1767 N GLY A 119 -8.436 -1.258 -5.866 1.00 0.52 N ATOM 1768 CA GLY A 119 -9.501 -2.227 -5.841 1.00 0.50 C ATOM 1769 C GLY A 119 -10.191 -2.255 -4.503 1.00 0.44 C ATOM 1770 O GLY A 119 -9.548 -2.092 -3.468 1.00 0.53 O ATOM 0 H GLY A 119 -8.154 -0.908 -4.950 1.00 0.52 H new ATOM 0 HA2 GLY A 119 -10.226 -1.992 -6.620 1.00 0.50 H new ATOM 0 HA3 GLY A 119 -9.100 -3.215 -6.066 1.00 0.50 H new ATOM 1774 N TYR A 120 -11.487 -2.485 -4.510 1.00 0.42 N ATOM 1775 CA TYR A 120 -12.248 -2.443 -3.282 1.00 0.41 C ATOM 1776 C TYR A 120 -12.252 -3.803 -2.609 1.00 0.43 C ATOM 1777 O TYR A 120 -11.763 -4.792 -3.160 1.00 0.60 O ATOM 1778 CB TYR A 120 -13.680 -1.957 -3.532 1.00 0.48 C ATOM 1779 CG TYR A 120 -14.477 -2.782 -4.523 1.00 0.55 C ATOM 1780 CD1 TYR A 120 -15.171 -3.912 -4.112 1.00 0.61 C ATOM 1781 CD2 TYR A 120 -14.510 -2.445 -5.871 1.00 0.63 C ATOM 1782 CE1 TYR A 120 -15.879 -4.684 -5.014 1.00 0.71 C ATOM 1783 CE2 TYR A 120 -15.218 -3.208 -6.779 1.00 0.73 C ATOM 1784 CZ TYR A 120 -15.976 -4.267 -6.335 1.00 0.78 C ATOM 1785 OH TYR A 120 -16.604 -5.095 -7.249 1.00 0.89 O ATOM 0 H TYR A 120 -12.031 -2.701 -5.345 1.00 0.42 H new ATOM 0 HA TYR A 120 -11.766 -1.729 -2.614 1.00 0.41 H new ATOM 0 HB2 TYR A 120 -14.214 -1.944 -2.582 1.00 0.48 H new ATOM 0 HB3 TYR A 120 -13.640 -0.928 -3.889 1.00 0.48 H new ATOM 0 HD1 TYR A 120 -15.157 -4.193 -3.069 1.00 0.61 H new ATOM 0 HD2 TYR A 120 -13.974 -1.573 -6.214 1.00 0.63 H new ATOM 0 HE1 TYR A 120 -16.351 -5.601 -4.695 1.00 0.71 H new ATOM 0 HE2 TYR A 120 -15.177 -2.974 -7.833 1.00 0.73 H new ATOM 0 HH TYR A 120 -16.597 -4.671 -8.133 1.00 0.89 H new ATOM 1795 N TRP A 121 -12.795 -3.840 -1.412 1.00 0.39 N ATOM 1796 CA TRP A 121 -12.833 -5.049 -0.624 1.00 0.40 C ATOM 1797 C TRP A 121 -14.277 -5.386 -0.252 1.00 0.48 C ATOM 1798 O TRP A 121 -15.116 -4.496 -0.086 1.00 0.53 O ATOM 1799 CB TRP A 121 -11.939 -4.861 0.618 1.00 0.43 C ATOM 1800 CG TRP A 121 -12.231 -5.802 1.742 1.00 0.42 C ATOM 1801 CD1 TRP A 121 -13.320 -5.756 2.547 1.00 0.51 C ATOM 1802 CD2 TRP A 121 -11.440 -6.908 2.204 1.00 0.42 C ATOM 1803 NE1 TRP A 121 -13.282 -6.768 3.456 1.00 0.56 N ATOM 1804 CE2 TRP A 121 -12.140 -7.480 3.276 1.00 0.49 C ATOM 1805 CE3 TRP A 121 -10.221 -7.480 1.825 1.00 0.45 C ATOM 1806 CZ2 TRP A 121 -11.676 -8.582 3.962 1.00 0.53 C ATOM 1807 CZ3 TRP A 121 -9.763 -8.584 2.526 1.00 0.49 C ATOM 1808 CH2 TRP A 121 -10.491 -9.118 3.580 1.00 0.51 C ATOM 0 H TRP A 121 -13.222 -3.032 -0.959 1.00 0.39 H new ATOM 0 HA TRP A 121 -12.447 -5.892 -1.198 1.00 0.40 H new ATOM 0 HB2 TRP A 121 -10.897 -4.982 0.321 1.00 0.43 H new ATOM 0 HB3 TRP A 121 -12.051 -3.839 0.979 1.00 0.43 H new ATOM 0 HD1 TRP A 121 -14.107 -5.020 2.477 1.00 0.51 H new ATOM 0 HE1 TRP A 121 -13.996 -6.960 4.159 1.00 0.56 H new ATOM 0 HE3 TRP A 121 -9.650 -7.071 1.005 1.00 0.45 H new ATOM 0 HZ2 TRP A 121 -12.240 -9.006 4.780 1.00 0.53 H new ATOM 0 HZ3 TRP A 121 -8.823 -9.037 2.247 1.00 0.49 H new ATOM 0 HH2 TRP A 121 -10.105 -9.978 4.107 1.00 0.51 H new ATOM 1819 N ALA A 122 -14.553 -6.677 -0.133 1.00 0.57 N ATOM 1820 CA ALA A 122 -15.862 -7.164 0.257 1.00 0.73 C ATOM 1821 C ALA A 122 -15.748 -8.089 1.470 1.00 0.90 C ATOM 1822 O ALA A 122 -14.759 -8.816 1.616 1.00 1.42 O ATOM 1823 CB ALA A 122 -16.524 -7.887 -0.907 1.00 0.94 C ATOM 0 H ALA A 122 -13.871 -7.416 -0.305 1.00 0.57 H new ATOM 0 HA ALA A 122 -16.483 -6.312 0.533 1.00 0.73 H new ATOM 0 HB1 ALA A 122 -17.506 -8.247 -0.600 1.00 0.94 H new ATOM 0 HB2 ALA A 122 -16.635 -7.200 -1.746 1.00 0.94 H new ATOM 0 HB3 ALA A 122 -15.906 -8.732 -1.210 1.00 0.94 H new ATOM 1829 N LYS A 123 -16.764 -8.042 2.327 1.00 0.84 N ATOM 1830 CA LYS A 123 -16.834 -8.843 3.551 1.00 0.97 C ATOM 1831 C LYS A 123 -15.811 -8.348 4.575 1.00 0.83 C ATOM 1832 O LYS A 123 -15.624 -7.139 4.724 1.00 0.86 O ATOM 1833 CB LYS A 123 -16.631 -10.329 3.241 1.00 1.10 C ATOM 1834 CG LYS A 123 -17.338 -11.273 4.207 1.00 1.83 C ATOM 1835 CD LYS A 123 -18.853 -11.197 4.070 1.00 1.97 C ATOM 1836 CE LYS A 123 -19.455 -10.057 4.885 1.00 2.89 C ATOM 1837 NZ LYS A 123 -19.352 -10.300 6.348 1.00 3.47 N ATOM 0 H LYS A 123 -17.575 -7.438 2.191 1.00 0.84 H new ATOM 0 HA LYS A 123 -17.828 -8.726 3.983 1.00 0.97 H new ATOM 0 HB2 LYS A 123 -16.986 -10.529 2.230 1.00 1.10 H new ATOM 0 HB3 LYS A 123 -15.563 -10.548 3.253 1.00 1.10 H new ATOM 0 HG2 LYS A 123 -17.008 -12.295 4.022 1.00 1.83 H new ATOM 0 HG3 LYS A 123 -17.053 -11.026 5.230 1.00 1.83 H new ATOM 0 HD2 LYS A 123 -19.114 -11.066 3.020 1.00 1.97 H new ATOM 0 HD3 LYS A 123 -19.292 -12.141 4.392 1.00 1.97 H new ATOM 0 HE2 LYS A 123 -18.946 -9.126 4.636 1.00 2.89 H new ATOM 0 HE3 LYS A 123 -20.503 -9.931 4.612 1.00 2.89 H new ATOM 0 HZ1 LYS A 123 -20.044 -9.706 6.848 1.00 3.47 H new ATOM 0 HZ2 LYS A 123 -19.546 -11.302 6.548 1.00 3.47 H new ATOM 0 HZ3 LYS A 123 -18.393 -10.062 6.673 1.00 3.47 H new ATOM 1851 N ASP A 124 -15.171 -9.265 5.297 1.00 0.82 N ATOM 1852 CA ASP A 124 -14.183 -8.883 6.302 1.00 0.81 C ATOM 1853 C ASP A 124 -13.245 -10.042 6.638 1.00 0.71 C ATOM 1854 O ASP A 124 -13.687 -11.142 6.963 1.00 0.74 O ATOM 1855 CB ASP A 124 -14.872 -8.362 7.571 1.00 1.07 C ATOM 1856 CG ASP A 124 -15.847 -9.354 8.176 1.00 1.65 C ATOM 1857 OD1 ASP A 124 -16.943 -9.549 7.603 1.00 2.02 O ATOM 1858 OD2 ASP A 124 -15.527 -9.939 9.232 1.00 2.08 O ATOM 0 H ASP A 124 -15.317 -10.270 5.206 1.00 0.82 H new ATOM 0 HA ASP A 124 -13.579 -8.080 5.879 1.00 0.81 H new ATOM 0 HB2 ASP A 124 -14.112 -8.112 8.312 1.00 1.07 H new ATOM 0 HB3 ASP A 124 -15.403 -7.440 7.335 1.00 1.07 H new ATOM 1863 N ASN A 125 -11.944 -9.766 6.503 1.00 0.70 N ATOM 1864 CA ASN A 125 -10.840 -10.693 6.817 1.00 0.73 C ATOM 1865 C ASN A 125 -10.801 -11.969 5.963 1.00 0.73 C ATOM 1866 O ASN A 125 -9.737 -12.564 5.800 1.00 0.91 O ATOM 1867 CB ASN A 125 -10.846 -11.071 8.288 1.00 0.87 C ATOM 1868 CG ASN A 125 -10.635 -9.878 9.200 1.00 1.71 C ATOM 1869 OD1 ASN A 125 -11.588 -9.213 9.603 1.00 2.47 O ATOM 1870 ND2 ASN A 125 -9.386 -9.598 9.533 1.00 2.40 N ATOM 0 H ASN A 125 -11.614 -8.863 6.161 1.00 0.70 H new ATOM 0 HA ASN A 125 -9.938 -10.133 6.569 1.00 0.73 H new ATOM 0 HB2 ASN A 125 -11.796 -11.547 8.533 1.00 0.87 H new ATOM 0 HB3 ASN A 125 -10.064 -11.807 8.473 1.00 0.87 H new ATOM 0 HD21 ASN A 125 -9.186 -8.807 10.145 1.00 2.40 H new ATOM 0 HD22 ASN A 125 -8.622 -10.174 9.178 1.00 2.40 H new ATOM 1877 N LYS A 126 -11.936 -12.390 5.417 1.00 0.66 N ATOM 1878 CA LYS A 126 -12.002 -13.614 4.611 1.00 0.76 C ATOM 1879 C LYS A 126 -11.295 -13.436 3.264 1.00 0.76 C ATOM 1880 O LYS A 126 -11.218 -14.369 2.460 1.00 1.09 O ATOM 1881 CB LYS A 126 -13.461 -14.037 4.412 1.00 0.84 C ATOM 1882 CG LYS A 126 -14.282 -13.097 3.542 1.00 0.82 C ATOM 1883 CD LYS A 126 -14.339 -13.578 2.100 1.00 0.88 C ATOM 1884 CE LYS A 126 -15.238 -12.695 1.258 1.00 1.39 C ATOM 1885 NZ LYS A 126 -15.414 -13.220 -0.119 1.00 1.96 N ATOM 0 H LYS A 126 -12.827 -11.904 5.515 1.00 0.66 H new ATOM 0 HA LYS A 126 -11.480 -14.404 5.150 1.00 0.76 H new ATOM 0 HB2 LYS A 126 -13.479 -15.032 3.966 1.00 0.84 H new ATOM 0 HB3 LYS A 126 -13.939 -14.116 5.389 1.00 0.84 H new ATOM 0 HG2 LYS A 126 -15.293 -13.021 3.941 1.00 0.82 H new ATOM 0 HG3 LYS A 126 -13.849 -12.097 3.576 1.00 0.82 H new ATOM 0 HD2 LYS A 126 -13.334 -13.585 1.677 1.00 0.88 H new ATOM 0 HD3 LYS A 126 -14.704 -14.605 2.071 1.00 0.88 H new ATOM 0 HE2 LYS A 126 -16.212 -12.609 1.739 1.00 1.39 H new ATOM 0 HE3 LYS A 126 -14.816 -11.691 1.210 1.00 1.39 H new ATOM 0 HZ1 LYS A 126 -16.036 -12.583 -0.657 1.00 1.96 H new ATOM 0 HZ2 LYS A 126 -14.488 -13.278 -0.589 1.00 1.96 H new ATOM 0 HZ3 LYS A 126 -15.841 -14.167 -0.077 1.00 1.96 H new ATOM 1899 N GLN A 127 -10.815 -12.218 3.029 1.00 0.63 N ATOM 1900 CA GLN A 127 -10.077 -11.855 1.822 1.00 0.64 C ATOM 1901 C GLN A 127 -11.009 -11.730 0.622 1.00 0.63 C ATOM 1902 O GLN A 127 -10.894 -12.462 -0.358 1.00 0.91 O ATOM 1903 CB GLN A 127 -8.937 -12.839 1.527 1.00 0.79 C ATOM 1904 CG GLN A 127 -7.958 -12.335 0.476 1.00 1.28 C ATOM 1905 CD GLN A 127 -6.859 -13.335 0.181 1.00 1.41 C ATOM 1906 OE1 GLN A 127 -5.821 -13.343 0.841 1.00 2.02 O ATOM 1907 NE2 GLN A 127 -7.073 -14.173 -0.819 1.00 1.62 N ATOM 0 H GLN A 127 -10.929 -11.443 3.682 1.00 0.63 H new ATOM 0 HA GLN A 127 -9.626 -10.880 2.007 1.00 0.64 H new ATOM 0 HB2 GLN A 127 -8.394 -13.042 2.450 1.00 0.79 H new ATOM 0 HB3 GLN A 127 -9.362 -13.785 1.193 1.00 0.79 H new ATOM 0 HG2 GLN A 127 -8.499 -12.113 -0.444 1.00 1.28 H new ATOM 0 HG3 GLN A 127 -7.513 -11.400 0.817 1.00 1.28 H new ATOM 0 HE21 GLN A 127 -7.949 -14.132 -1.340 1.00 1.62 H new ATOM 0 HE22 GLN A 127 -6.362 -14.861 -1.069 1.00 1.62 H new ATOM 1916 N GLY A 128 -11.956 -10.807 0.719 1.00 0.50 N ATOM 1917 CA GLY A 128 -12.769 -10.473 -0.421 1.00 0.50 C ATOM 1918 C GLY A 128 -12.313 -9.175 -1.036 1.00 0.45 C ATOM 1919 O GLY A 128 -12.390 -8.135 -0.401 1.00 0.77 O ATOM 0 H GLY A 128 -12.172 -10.286 1.569 1.00 0.50 H new ATOM 0 HA2 GLY A 128 -12.713 -11.272 -1.161 1.00 0.50 H new ATOM 0 HA3 GLY A 128 -13.813 -10.391 -0.118 1.00 0.50 H new ATOM 1923 N PHE A 129 -11.785 -9.224 -2.240 1.00 0.61 N ATOM 1924 CA PHE A 129 -11.373 -8.010 -2.918 1.00 0.63 C ATOM 1925 C PHE A 129 -11.827 -8.037 -4.374 1.00 0.58 C ATOM 1926 O PHE A 129 -12.197 -9.091 -4.896 1.00 0.63 O ATOM 1927 CB PHE A 129 -9.848 -7.840 -2.850 1.00 0.72 C ATOM 1928 CG PHE A 129 -9.072 -8.930 -3.543 1.00 0.77 C ATOM 1929 CD1 PHE A 129 -8.774 -10.114 -2.888 1.00 1.02 C ATOM 1930 CD2 PHE A 129 -8.636 -8.763 -4.848 1.00 0.75 C ATOM 1931 CE1 PHE A 129 -8.060 -11.112 -3.522 1.00 1.21 C ATOM 1932 CE2 PHE A 129 -7.922 -9.760 -5.489 1.00 0.89 C ATOM 1933 CZ PHE A 129 -7.633 -10.934 -4.824 1.00 1.14 C ATOM 0 H PHE A 129 -11.631 -10.083 -2.768 1.00 0.61 H new ATOM 0 HA PHE A 129 -11.841 -7.164 -2.415 1.00 0.63 H new ATOM 0 HB2 PHE A 129 -9.581 -6.881 -3.294 1.00 0.72 H new ATOM 0 HB3 PHE A 129 -9.544 -7.803 -1.804 1.00 0.72 H new ATOM 0 HD1 PHE A 129 -9.104 -10.258 -1.870 1.00 1.02 H new ATOM 0 HD2 PHE A 129 -8.856 -7.844 -5.371 1.00 0.75 H new ATOM 0 HE1 PHE A 129 -7.836 -12.031 -3.000 1.00 1.21 H new ATOM 0 HE2 PHE A 129 -7.592 -9.620 -6.508 1.00 0.89 H new ATOM 0 HZ PHE A 129 -7.074 -11.713 -5.321 1.00 1.14 H new ATOM 1943 N THR A 130 -11.814 -6.880 -5.014 1.00 0.61 N ATOM 1944 CA THR A 130 -12.092 -6.780 -6.438 1.00 0.63 C ATOM 1945 C THR A 130 -11.377 -5.567 -7.020 1.00 0.60 C ATOM 1946 O THR A 130 -11.725 -4.428 -6.706 1.00 0.67 O ATOM 1947 CB THR A 130 -13.604 -6.667 -6.716 1.00 0.73 C ATOM 1948 OG1 THR A 130 -14.297 -7.753 -6.089 1.00 1.47 O ATOM 1949 CG2 THR A 130 -13.890 -6.681 -8.212 1.00 0.90 C ATOM 0 H THR A 130 -11.612 -5.987 -4.564 1.00 0.61 H new ATOM 0 HA THR A 130 -11.727 -7.691 -6.912 1.00 0.63 H new ATOM 0 HB THR A 130 -13.953 -5.719 -6.305 1.00 0.73 H new ATOM 0 HG1 THR A 130 -15.257 -7.675 -6.268 1.00 1.47 H new ATOM 0 HG21 THR A 130 -14.964 -6.600 -8.378 1.00 0.90 H new ATOM 0 HG22 THR A 130 -13.385 -5.840 -8.687 1.00 0.90 H new ATOM 0 HG23 THR A 130 -13.526 -7.613 -8.643 1.00 0.90 H new ATOM 1957 N PRO A 131 -10.348 -5.795 -7.851 1.00 0.63 N ATOM 1958 CA PRO A 131 -9.561 -4.716 -8.445 1.00 0.65 C ATOM 1959 C PRO A 131 -10.385 -3.860 -9.402 1.00 0.63 C ATOM 1960 O PRO A 131 -10.874 -4.338 -10.427 1.00 0.75 O ATOM 1961 CB PRO A 131 -8.432 -5.438 -9.193 1.00 0.80 C ATOM 1962 CG PRO A 131 -8.458 -6.847 -8.698 1.00 0.92 C ATOM 1963 CD PRO A 131 -9.874 -7.117 -8.278 1.00 0.75 C ATOM 0 HA PRO A 131 -9.194 -4.023 -7.687 1.00 0.65 H new ATOM 0 HB2 PRO A 131 -8.588 -5.398 -10.271 1.00 0.80 H new ATOM 0 HB3 PRO A 131 -7.468 -4.970 -8.993 1.00 0.80 H new ATOM 0 HG2 PRO A 131 -8.145 -7.540 -9.479 1.00 0.92 H new ATOM 0 HG3 PRO A 131 -7.772 -6.978 -7.861 1.00 0.92 H new ATOM 0 HD2 PRO A 131 -10.470 -7.514 -9.100 1.00 0.75 H new ATOM 0 HD3 PRO A 131 -9.923 -7.845 -7.468 1.00 0.75 H new ATOM 1971 N SER A 132 -10.538 -2.598 -9.046 1.00 0.55 N ATOM 1972 CA SER A 132 -11.300 -1.652 -9.832 1.00 0.57 C ATOM 1973 C SER A 132 -10.796 -0.246 -9.535 1.00 0.56 C ATOM 1974 O SER A 132 -10.996 0.281 -8.439 1.00 0.73 O ATOM 1975 CB SER A 132 -12.793 -1.774 -9.514 1.00 0.64 C ATOM 1976 OG SER A 132 -13.587 -1.047 -10.441 1.00 1.52 O ATOM 0 H SER A 132 -10.134 -2.201 -8.198 1.00 0.55 H new ATOM 0 HA SER A 132 -11.168 -1.865 -10.893 1.00 0.57 H new ATOM 0 HB2 SER A 132 -13.084 -2.824 -9.530 1.00 0.64 H new ATOM 0 HB3 SER A 132 -12.982 -1.406 -8.505 1.00 0.64 H new ATOM 0 HG SER A 132 -14.534 -1.148 -10.210 1.00 1.52 H new ATOM 1982 N GLY A 133 -10.103 0.339 -10.493 1.00 0.54 N ATOM 1983 CA GLY A 133 -9.519 1.641 -10.284 1.00 0.57 C ATOM 1984 C GLY A 133 -8.276 1.837 -11.114 1.00 0.62 C ATOM 1985 O GLY A 133 -8.237 1.442 -12.277 1.00 1.17 O ATOM 0 H GLY A 133 -9.934 -0.066 -11.414 1.00 0.54 H new ATOM 0 HA2 GLY A 133 -10.249 2.411 -10.535 1.00 0.57 H new ATOM 0 HA3 GLY A 133 -9.275 1.765 -9.229 1.00 0.57 H new ATOM 1989 N THR A 134 -7.261 2.431 -10.517 1.00 0.62 N ATOM 1990 CA THR A 134 -6.017 2.695 -11.215 1.00 0.97 C ATOM 1991 C THR A 134 -4.894 1.828 -10.648 1.00 0.68 C ATOM 1992 O THR A 134 -4.805 1.629 -9.433 1.00 0.95 O ATOM 1993 CB THR A 134 -5.633 4.182 -11.097 1.00 1.77 C ATOM 1994 OG1 THR A 134 -6.800 5.000 -11.281 1.00 2.38 O ATOM 1995 CG2 THR A 134 -4.578 4.565 -12.128 1.00 2.47 C ATOM 0 H THR A 134 -7.274 2.741 -9.545 1.00 0.62 H new ATOM 0 HA THR A 134 -6.161 2.450 -12.267 1.00 0.97 H new ATOM 0 HB THR A 134 -5.217 4.345 -10.103 1.00 1.77 H new ATOM 0 HG1 THR A 134 -6.553 5.945 -11.204 1.00 2.38 H new ATOM 0 HG21 THR A 134 -4.329 5.620 -12.019 1.00 2.47 H new ATOM 0 HG22 THR A 134 -3.683 3.963 -11.974 1.00 2.47 H new ATOM 0 HG23 THR A 134 -4.967 4.386 -13.130 1.00 2.47 H new ATOM 2003 N THR A 135 -4.062 1.292 -11.527 1.00 0.72 N ATOM 2004 CA THR A 135 -2.926 0.492 -11.111 1.00 0.70 C ATOM 2005 C THR A 135 -1.682 1.372 -11.020 1.00 0.64 C ATOM 2006 O THR A 135 -1.038 1.667 -12.029 1.00 0.88 O ATOM 2007 CB THR A 135 -2.678 -0.673 -12.093 1.00 1.08 C ATOM 2008 OG1 THR A 135 -3.904 -1.386 -12.327 1.00 1.82 O ATOM 2009 CG2 THR A 135 -1.631 -1.635 -11.546 1.00 1.27 C ATOM 0 H THR A 135 -4.155 1.399 -12.537 1.00 0.72 H new ATOM 0 HA THR A 135 -3.144 0.068 -10.131 1.00 0.70 H new ATOM 0 HB THR A 135 -2.311 -0.253 -13.030 1.00 1.08 H new ATOM 0 HG1 THR A 135 -3.740 -2.123 -12.952 1.00 1.82 H new ATOM 0 HG21 THR A 135 -1.475 -2.446 -12.257 1.00 1.27 H new ATOM 0 HG22 THR A 135 -0.693 -1.102 -11.392 1.00 1.27 H new ATOM 0 HG23 THR A 135 -1.975 -2.046 -10.597 1.00 1.27 H new ATOM 2017 N GLY A 136 -1.357 1.805 -9.812 1.00 0.52 N ATOM 2018 CA GLY A 136 -0.261 2.731 -9.636 1.00 0.58 C ATOM 2019 C GLY A 136 0.907 2.112 -8.907 1.00 0.45 C ATOM 2020 O GLY A 136 0.738 1.490 -7.859 1.00 0.67 O ATOM 0 H GLY A 136 -1.832 1.532 -8.952 1.00 0.52 H new ATOM 0 HA2 GLY A 136 0.071 3.086 -10.612 1.00 0.58 H new ATOM 0 HA3 GLY A 136 -0.611 3.602 -9.082 1.00 0.58 H new ATOM 2024 N THR A 137 2.090 2.269 -9.467 1.00 0.38 N ATOM 2025 CA THR A 137 3.296 1.760 -8.847 1.00 0.33 C ATOM 2026 C THR A 137 3.987 2.858 -8.047 1.00 0.33 C ATOM 2027 O THR A 137 4.444 3.854 -8.612 1.00 0.39 O ATOM 2028 CB THR A 137 4.276 1.213 -9.906 1.00 0.42 C ATOM 2029 OG1 THR A 137 3.646 0.173 -10.666 1.00 0.58 O ATOM 2030 CG2 THR A 137 5.545 0.673 -9.256 1.00 0.50 C ATOM 0 H THR A 137 2.242 2.748 -10.355 1.00 0.38 H new ATOM 0 HA THR A 137 3.006 0.948 -8.180 1.00 0.33 H new ATOM 0 HB THR A 137 4.551 2.035 -10.567 1.00 0.42 H new ATOM 0 HG1 THR A 137 4.274 -0.168 -11.337 1.00 0.58 H new ATOM 0 HG21 THR A 137 6.216 0.295 -10.027 1.00 0.50 H new ATOM 0 HG22 THR A 137 6.040 1.472 -8.705 1.00 0.50 H new ATOM 0 HG23 THR A 137 5.287 -0.135 -8.571 1.00 0.50 H new ATOM 2038 N THR A 138 4.050 2.690 -6.737 1.00 0.32 N ATOM 2039 CA THR A 138 4.804 3.605 -5.912 1.00 0.36 C ATOM 2040 C THR A 138 6.280 3.253 -6.037 1.00 0.37 C ATOM 2041 O THR A 138 6.695 2.141 -5.713 1.00 0.38 O ATOM 2042 CB THR A 138 4.351 3.553 -4.437 1.00 0.39 C ATOM 2043 OG1 THR A 138 2.921 3.626 -4.375 1.00 0.40 O ATOM 2044 CG2 THR A 138 4.948 4.705 -3.644 1.00 0.52 C ATOM 0 H THR A 138 3.591 1.934 -6.230 1.00 0.32 H new ATOM 0 HA THR A 138 4.629 4.625 -6.255 1.00 0.36 H new ATOM 0 HB THR A 138 4.698 2.616 -4.002 1.00 0.39 H new ATOM 0 HG1 THR A 138 2.632 3.591 -3.439 1.00 0.40 H new ATOM 0 HG21 THR A 138 4.614 4.646 -2.608 1.00 0.52 H new ATOM 0 HG22 THR A 138 6.036 4.645 -3.678 1.00 0.52 H new ATOM 0 HG23 THR A 138 4.623 5.651 -4.076 1.00 0.52 H new ATOM 2052 N LYS A 139 7.057 4.177 -6.565 1.00 0.41 N ATOM 2053 CA LYS A 139 8.445 3.907 -6.871 1.00 0.44 C ATOM 2054 C LYS A 139 9.344 4.523 -5.819 1.00 0.44 C ATOM 2055 O LYS A 139 9.491 5.744 -5.732 1.00 0.49 O ATOM 2056 CB LYS A 139 8.769 4.441 -8.271 1.00 0.53 C ATOM 2057 CG LYS A 139 10.168 4.113 -8.768 1.00 0.59 C ATOM 2058 CD LYS A 139 10.137 3.515 -10.170 1.00 1.21 C ATOM 2059 CE LYS A 139 9.400 4.409 -11.162 1.00 1.33 C ATOM 2060 NZ LYS A 139 10.118 5.687 -11.420 1.00 2.18 N ATOM 0 H LYS A 139 6.749 5.123 -6.791 1.00 0.41 H new ATOM 0 HA LYS A 139 8.622 2.831 -6.863 1.00 0.44 H new ATOM 0 HB2 LYS A 139 8.043 4.036 -8.976 1.00 0.53 H new ATOM 0 HB3 LYS A 139 8.643 5.524 -8.270 1.00 0.53 H new ATOM 0 HG2 LYS A 139 10.776 5.018 -8.771 1.00 0.59 H new ATOM 0 HG3 LYS A 139 10.644 3.412 -8.083 1.00 0.59 H new ATOM 0 HD2 LYS A 139 11.158 3.354 -10.517 1.00 1.21 H new ATOM 0 HD3 LYS A 139 9.654 2.538 -10.136 1.00 1.21 H new ATOM 0 HE2 LYS A 139 9.270 3.873 -12.102 1.00 1.33 H new ATOM 0 HE3 LYS A 139 8.403 4.627 -10.779 1.00 1.33 H new ATOM 0 HZ1 LYS A 139 9.749 6.123 -12.289 1.00 2.18 H new ATOM 0 HZ2 LYS A 139 9.973 6.335 -10.619 1.00 2.18 H new ATOM 0 HZ3 LYS A 139 11.134 5.498 -11.532 1.00 2.18 H new ATOM 2074 N LEU A 140 9.927 3.660 -5.012 1.00 0.45 N ATOM 2075 CA LEU A 140 10.822 4.081 -3.963 1.00 0.44 C ATOM 2076 C LEU A 140 12.265 3.753 -4.349 1.00 0.39 C ATOM 2077 O LEU A 140 12.752 2.641 -4.145 1.00 0.40 O ATOM 2078 CB LEU A 140 10.417 3.415 -2.636 1.00 0.46 C ATOM 2079 CG LEU A 140 11.515 3.315 -1.583 1.00 0.53 C ATOM 2080 CD1 LEU A 140 11.964 4.690 -1.128 1.00 0.63 C ATOM 2081 CD2 LEU A 140 11.042 2.493 -0.399 1.00 0.62 C ATOM 0 H LEU A 140 9.792 2.651 -5.068 1.00 0.45 H new ATOM 0 HA LEU A 140 10.753 5.160 -3.828 1.00 0.44 H new ATOM 0 HB2 LEU A 140 9.582 3.972 -2.211 1.00 0.46 H new ATOM 0 HB3 LEU A 140 10.053 2.410 -2.851 1.00 0.46 H new ATOM 0 HG LEU A 140 12.371 2.814 -2.036 1.00 0.53 H new ATOM 0 HD11 LEU A 140 12.747 4.587 -0.377 1.00 0.63 H new ATOM 0 HD12 LEU A 140 12.350 5.247 -1.981 1.00 0.63 H new ATOM 0 HD13 LEU A 140 11.118 5.225 -0.698 1.00 0.63 H new ATOM 0 HD21 LEU A 140 11.838 2.432 0.343 1.00 0.62 H new ATOM 0 HD22 LEU A 140 10.167 2.966 0.046 1.00 0.62 H new ATOM 0 HD23 LEU A 140 10.781 1.489 -0.734 1.00 0.62 H new ATOM 2093 N THR A 141 12.939 4.729 -4.924 1.00 0.39 N ATOM 2094 CA THR A 141 14.312 4.560 -5.363 1.00 0.38 C ATOM 2095 C THR A 141 15.250 5.217 -4.358 1.00 0.34 C ATOM 2096 O THR A 141 14.901 6.228 -3.765 1.00 0.40 O ATOM 2097 CB THR A 141 14.513 5.190 -6.757 1.00 0.48 C ATOM 2098 OG1 THR A 141 13.458 4.774 -7.631 1.00 0.58 O ATOM 2099 CG2 THR A 141 15.851 4.788 -7.359 1.00 0.54 C ATOM 0 H THR A 141 12.554 5.657 -5.100 1.00 0.39 H new ATOM 0 HA THR A 141 14.535 3.495 -5.428 1.00 0.38 H new ATOM 0 HB THR A 141 14.499 6.274 -6.641 1.00 0.48 H new ATOM 0 HG1 THR A 141 13.379 3.797 -7.607 1.00 0.58 H new ATOM 0 HG21 THR A 141 15.961 5.248 -8.341 1.00 0.54 H new ATOM 0 HG22 THR A 141 16.658 5.123 -6.708 1.00 0.54 H new ATOM 0 HG23 THR A 141 15.893 3.704 -7.460 1.00 0.54 H new ATOM 2107 N VAL A 142 16.419 4.634 -4.131 1.00 0.44 N ATOM 2108 CA VAL A 142 17.366 5.222 -3.194 1.00 0.57 C ATOM 2109 C VAL A 142 18.194 6.309 -3.878 1.00 0.77 C ATOM 2110 O VAL A 142 18.669 6.134 -5.002 1.00 1.10 O ATOM 2111 CB VAL A 142 18.295 4.157 -2.565 1.00 0.80 C ATOM 2112 CG1 VAL A 142 19.144 3.464 -3.619 1.00 1.69 C ATOM 2113 CG2 VAL A 142 19.178 4.777 -1.492 1.00 1.74 C ATOM 0 H VAL A 142 16.731 3.770 -4.574 1.00 0.44 H new ATOM 0 HA VAL A 142 16.786 5.671 -2.387 1.00 0.57 H new ATOM 0 HB VAL A 142 17.661 3.402 -2.100 1.00 0.80 H new ATOM 0 HG11 VAL A 142 19.784 2.723 -3.141 1.00 1.69 H new ATOM 0 HG12 VAL A 142 18.495 2.971 -4.342 1.00 1.69 H new ATOM 0 HG13 VAL A 142 19.763 4.201 -4.130 1.00 1.69 H new ATOM 0 HG21 VAL A 142 19.823 4.010 -1.063 1.00 1.74 H new ATOM 0 HG22 VAL A 142 19.792 5.561 -1.935 1.00 1.74 H new ATOM 0 HG23 VAL A 142 18.553 5.204 -0.708 1.00 1.74 H new ATOM 2123 N THR A 143 18.317 7.449 -3.214 1.00 0.85 N ATOM 2124 CA THR A 143 19.136 8.546 -3.699 1.00 1.18 C ATOM 2125 C THR A 143 19.637 9.369 -2.517 1.00 1.82 C ATOM 2126 O THR A 143 20.815 9.214 -2.138 1.00 2.22 O ATOM 2127 CB THR A 143 18.360 9.454 -4.679 1.00 1.54 C ATOM 2128 OG1 THR A 143 17.816 8.668 -5.752 1.00 2.04 O ATOM 2129 CG2 THR A 143 19.266 10.535 -5.255 1.00 1.94 C ATOM 2130 OXT THR A 143 18.834 10.131 -1.936 1.00 2.58 O ATOM 0 H THR A 143 17.852 7.638 -2.326 1.00 0.85 H new ATOM 0 HA THR A 143 19.980 8.120 -4.242 1.00 1.18 H new ATOM 0 HB THR A 143 17.551 9.933 -4.127 1.00 1.54 H new ATOM 0 HG1 THR A 143 18.164 7.754 -5.697 1.00 2.04 H new ATOM 0 HG21 THR A 143 18.695 11.160 -5.942 1.00 1.94 H new ATOM 0 HG22 THR A 143 19.659 11.150 -4.445 1.00 1.94 H new ATOM 0 HG23 THR A 143 20.093 10.069 -5.791 1.00 1.94 H new TER 2138 THR A 143