USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1037 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 120 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 130 THR OG1 : rot 136:sc= 0.498 USER MOD Set 2.1: A 111 ASN : amide:sc= 0.364 K(o=1.1,f=-3.3!) USER MOD Set 2.2: A 141 THR OG1 : rot -54:sc= 0.721 USER MOD Set 3.1: A 103 GLN : amide:sc= -2.44! K(o=-1.2!,f=1.6) USER MOD Set 3.2: A 105 THR OG1 : rot -70:sc= 1.26 USER MOD Set 4.1: A 72 MET CE :methyl 156:sc= -0.195 (180deg=-0.893) USER MOD Set 4.2: A 95 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 68 ASN : amide:sc= -0.661! X(o=0.19!,f=-0.21) USER MOD Set 5.2: A 79 THR OG1 : rot 167:sc= 0.849 USER MOD Set 6.1: A 74 ASN : amide:sc=-0.00901 X(o=0.11,f=-0.28) USER MOD Set 6.2: A 75 SER OG : rot 180:sc= 0.117 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 11 THR OG1 : rot 28:sc= 0.249 USER MOD Single : A 14 LYS NZ :NH3+ -160:sc= 1.25 (180deg=0.868) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.498 USER MOD Single : A 18 GLN : amide:sc= -0.0581 X(o=-0.058,f=-0.058) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0246 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -2.82! K(o=-2.8!,f=0.44) USER MOD Single : A 36 ASN : amide:sc= -0.0134 X(o=-0.013,f=0) USER MOD Single : A 39 GLN : amide:sc= -1.65! K(o=-1.6!,f=-0.12) USER MOD Single : A 43 LYS NZ :NH3+ -158:sc= -2.29! (180deg=-3.52!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.824! C(o=-0.82!,f=-4.8!) USER MOD Single : A 51 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.11) USER MOD Single : A 53 LYS NZ :NH3+ -144:sc= 0.287 (180deg=-0.503) USER MOD Single : A 58 SER OG : rot 180:sc= 0.189 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0.015) USER MOD Single : A 61 ASN : amide:sc= -0.936 K(o=-0.94,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 140:sc= 0.0438 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0.222 USER MOD Single : A 86 LYS NZ :NH3+ -166:sc= 0.742 (180deg=0.281) USER MOD Single : A 87 ASN : amide:sc= -3.79! K(o=-3.8!,f=-0.31) USER MOD Single : A 91 SER OG : rot 180:sc= 0.608 USER MOD Single : A 99 TYR OH : rot 31:sc=0.000896 USER MOD Single : A 104 GLN : amide:sc= -0.0339 K(o=-0.034,f=-0.84) USER MOD Single : A 106 ASN : amide:sc= 0.112 K(o=0.11,f=-8.8!) USER MOD Single : A 107 THR OG1 : rot -165:sc= -0.315! USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 167:sc= -0.134 (180deg=-0.609) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 LYS NZ :NH3+ 158:sc=-0.00668 (180deg=-0.365) USER MOD Single : A 127 GLN : amide:sc= -1.94! K(o=-1.9!,f=-0.027) USER MOD Single : A 132 SER OG : rot 152:sc= 0.264 USER MOD Single : A 134 THR OG1 : rot 174:sc= -1.7! USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 THR OG1 : rot 180:sc=-0.00944 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 THR OG1 : rot 43:sc= -0.669 USER MOD ----------------------------------------------------------------- ATOM 31 N CYS A 3 -16.804 1.754 -6.740 1.00 1.08 N ATOM 32 CA CYS A 3 -15.557 2.241 -6.162 1.00 0.96 C ATOM 33 C CYS A 3 -14.381 2.069 -7.109 1.00 0.83 C ATOM 34 O CYS A 3 -13.703 1.040 -7.098 1.00 0.96 O ATOM 35 CB CYS A 3 -15.247 1.536 -4.841 1.00 1.25 C ATOM 36 SG CYS A 3 -16.351 1.987 -3.475 1.00 1.43 S ATOM 0 HA CYS A 3 -15.699 3.306 -5.979 1.00 0.96 H new ATOM 0 HB2 CYS A 3 -15.302 0.459 -4.996 1.00 1.25 H new ATOM 0 HB3 CYS A 3 -14.221 1.764 -4.553 1.00 1.25 H new ATOM 41 N GLN A 4 -14.156 3.071 -7.941 1.00 0.67 N ATOM 42 CA GLN A 4 -12.974 3.116 -8.759 1.00 0.59 C ATOM 43 C GLN A 4 -11.879 3.795 -7.958 1.00 0.54 C ATOM 44 O GLN A 4 -11.933 5.001 -7.708 1.00 0.53 O ATOM 45 CB GLN A 4 -13.253 3.896 -10.049 1.00 0.59 C ATOM 46 CG GLN A 4 -12.102 3.880 -11.036 1.00 1.45 C ATOM 47 CD GLN A 4 -12.328 4.801 -12.223 1.00 1.65 C ATOM 48 OE1 GLN A 4 -13.467 5.077 -12.606 1.00 2.29 O ATOM 49 NE2 GLN A 4 -11.245 5.269 -12.828 1.00 1.92 N ATOM 0 H GLN A 4 -14.785 3.865 -8.062 1.00 0.67 H new ATOM 0 HA GLN A 4 -12.667 2.108 -9.037 1.00 0.59 H new ATOM 0 HB2 GLN A 4 -14.138 3.479 -10.530 1.00 0.59 H new ATOM 0 HB3 GLN A 4 -13.486 4.930 -9.794 1.00 0.59 H new ATOM 0 HG2 GLN A 4 -11.186 4.174 -10.523 1.00 1.45 H new ATOM 0 HG3 GLN A 4 -11.953 2.862 -11.396 1.00 1.45 H new ATOM 0 HE21 GLN A 4 -10.319 5.018 -12.482 1.00 1.92 H new ATOM 0 HE22 GLN A 4 -11.338 5.880 -13.640 1.00 1.92 H new ATOM 58 N VAL A 5 -10.900 3.023 -7.533 1.00 0.56 N ATOM 59 CA VAL A 5 -9.816 3.569 -6.748 1.00 0.57 C ATOM 60 C VAL A 5 -8.673 3.956 -7.661 1.00 0.57 C ATOM 61 O VAL A 5 -8.015 3.101 -8.254 1.00 0.66 O ATOM 62 CB VAL A 5 -9.326 2.566 -5.685 1.00 0.68 C ATOM 63 CG1 VAL A 5 -8.208 3.166 -4.845 1.00 1.00 C ATOM 64 CG2 VAL A 5 -10.482 2.122 -4.800 1.00 1.51 C ATOM 0 H VAL A 5 -10.834 2.022 -7.717 1.00 0.56 H new ATOM 0 HA VAL A 5 -10.185 4.452 -6.226 1.00 0.57 H new ATOM 0 HB VAL A 5 -8.928 1.692 -6.200 1.00 0.68 H new ATOM 0 HG11 VAL A 5 -7.880 2.438 -4.103 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -7.370 3.429 -5.490 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -8.572 4.061 -4.340 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -10.119 1.414 -4.055 1.00 1.51 H new ATOM 0 HG22 VAL A 5 -10.910 2.990 -4.298 1.00 1.51 H new ATOM 0 HG23 VAL A 5 -11.246 1.644 -5.413 1.00 1.51 H new ATOM 74 N ARG A 6 -8.444 5.250 -7.783 1.00 0.57 N ATOM 75 CA ARG A 6 -7.414 5.741 -8.671 1.00 0.64 C ATOM 76 C ARG A 6 -6.115 5.960 -7.919 1.00 0.58 C ATOM 77 O ARG A 6 -5.938 6.970 -7.238 1.00 0.65 O ATOM 78 CB ARG A 6 -7.856 7.024 -9.380 1.00 0.80 C ATOM 79 CG ARG A 6 -9.062 6.823 -10.286 1.00 1.47 C ATOM 80 CD ARG A 6 -9.249 7.987 -11.247 1.00 1.67 C ATOM 81 NE ARG A 6 -9.538 9.244 -10.559 1.00 1.92 N ATOM 82 CZ ARG A 6 -9.676 10.416 -11.187 1.00 2.75 C ATOM 83 NH1 ARG A 6 -9.512 10.491 -12.502 1.00 3.23 N ATOM 84 NH2 ARG A 6 -9.969 11.515 -10.502 1.00 3.57 N ATOM 0 H ARG A 6 -8.956 5.975 -7.280 1.00 0.57 H new ATOM 0 HA ARG A 6 -7.243 4.982 -9.435 1.00 0.64 H new ATOM 0 HB2 ARG A 6 -8.093 7.781 -8.633 1.00 0.80 H new ATOM 0 HB3 ARG A 6 -7.025 7.409 -9.972 1.00 0.80 H new ATOM 0 HG2 ARG A 6 -8.940 5.900 -10.853 1.00 1.47 H new ATOM 0 HG3 ARG A 6 -9.959 6.707 -9.677 1.00 1.47 H new ATOM 0 HD2 ARG A 6 -8.348 8.105 -11.848 1.00 1.67 H new ATOM 0 HD3 ARG A 6 -10.063 7.758 -11.935 1.00 1.67 H new ATOM 0 HE ARG A 6 -9.640 9.226 -9.544 1.00 1.92 H new ATOM 0 HH11 ARG A 6 -9.280 9.653 -13.036 1.00 3.23 H new ATOM 0 HH12 ARG A 6 -9.618 11.386 -12.979 1.00 3.23 H new ATOM 0 HH21 ARG A 6 -10.090 11.468 -9.490 1.00 3.57 H new ATOM 0 HH22 ARG A 6 -10.073 12.406 -10.987 1.00 3.57 H new ATOM 98 N VAL A 7 -5.241 4.973 -8.010 1.00 0.58 N ATOM 99 CA VAL A 7 -3.901 5.076 -7.469 1.00 0.57 C ATOM 100 C VAL A 7 -2.931 5.313 -8.615 1.00 0.68 C ATOM 101 O VAL A 7 -2.792 4.469 -9.498 1.00 0.85 O ATOM 102 CB VAL A 7 -3.492 3.795 -6.706 1.00 0.64 C ATOM 103 CG1 VAL A 7 -2.091 3.931 -6.128 1.00 1.20 C ATOM 104 CG2 VAL A 7 -4.496 3.477 -5.606 1.00 1.26 C ATOM 0 H VAL A 7 -5.442 4.080 -8.460 1.00 0.58 H new ATOM 0 HA VAL A 7 -3.876 5.905 -6.762 1.00 0.57 H new ATOM 0 HB VAL A 7 -3.488 2.968 -7.416 1.00 0.64 H new ATOM 0 HG11 VAL A 7 -1.827 3.017 -5.596 1.00 1.20 H new ATOM 0 HG12 VAL A 7 -1.379 4.100 -6.936 1.00 1.20 H new ATOM 0 HG13 VAL A 7 -2.063 4.774 -5.437 1.00 1.20 H new ATOM 0 HG21 VAL A 7 -4.188 2.572 -5.083 1.00 1.26 H new ATOM 0 HG22 VAL A 7 -4.538 4.307 -4.901 1.00 1.26 H new ATOM 0 HG23 VAL A 7 -5.481 3.324 -6.046 1.00 1.26 H new ATOM 114 N GLY A 8 -2.289 6.468 -8.619 1.00 0.77 N ATOM 115 CA GLY A 8 -1.392 6.802 -9.701 1.00 0.96 C ATOM 116 C GLY A 8 0.029 6.371 -9.420 1.00 0.75 C ATOM 117 O GLY A 8 0.416 6.217 -8.264 1.00 0.86 O ATOM 0 H GLY A 8 -2.373 7.180 -7.893 1.00 0.77 H new ATOM 0 HA2 GLY A 8 -1.739 6.326 -10.618 1.00 0.96 H new ATOM 0 HA3 GLY A 8 -1.416 7.878 -9.871 1.00 0.96 H new ATOM 121 N ASP A 9 0.800 6.162 -10.475 1.00 0.57 N ATOM 122 CA ASP A 9 2.207 5.829 -10.335 1.00 0.45 C ATOM 123 C ASP A 9 2.993 7.061 -9.908 1.00 0.50 C ATOM 124 O ASP A 9 2.691 8.181 -10.327 1.00 0.73 O ATOM 125 CB ASP A 9 2.774 5.271 -11.646 1.00 0.56 C ATOM 126 CG ASP A 9 2.857 6.311 -12.750 1.00 1.37 C ATOM 127 OD1 ASP A 9 1.816 6.603 -13.379 1.00 1.77 O ATOM 128 OD2 ASP A 9 3.961 6.855 -12.980 1.00 2.18 O ATOM 0 H ASP A 9 0.473 6.217 -11.440 1.00 0.57 H new ATOM 0 HA ASP A 9 2.301 5.059 -9.569 1.00 0.45 H new ATOM 0 HB2 ASP A 9 3.769 4.866 -11.461 1.00 0.56 H new ATOM 0 HB3 ASP A 9 2.150 4.443 -11.981 1.00 0.56 H new ATOM 133 N LEU A 10 3.982 6.853 -9.059 1.00 0.52 N ATOM 134 CA LEU A 10 4.802 7.943 -8.562 1.00 0.65 C ATOM 135 C LEU A 10 6.145 7.409 -8.092 1.00 0.49 C ATOM 136 O LEU A 10 6.244 6.274 -7.623 1.00 0.57 O ATOM 137 CB LEU A 10 4.109 8.681 -7.405 1.00 0.95 C ATOM 138 CG LEU A 10 3.908 7.864 -6.121 1.00 0.76 C ATOM 139 CD1 LEU A 10 3.842 8.785 -4.912 1.00 1.05 C ATOM 140 CD2 LEU A 10 2.641 7.027 -6.204 1.00 1.41 C ATOM 0 H LEU A 10 4.238 5.934 -8.697 1.00 0.52 H new ATOM 0 HA LEU A 10 4.952 8.649 -9.379 1.00 0.65 H new ATOM 0 HB2 LEU A 10 4.694 9.568 -7.162 1.00 0.95 H new ATOM 0 HB3 LEU A 10 3.135 9.027 -7.750 1.00 0.95 H new ATOM 0 HG LEU A 10 4.760 7.193 -6.011 1.00 0.76 H new ATOM 0 HD11 LEU A 10 3.699 8.191 -4.009 1.00 1.05 H new ATOM 0 HD12 LEU A 10 4.772 9.348 -4.832 1.00 1.05 H new ATOM 0 HD13 LEU A 10 3.008 9.477 -5.027 1.00 1.05 H new ATOM 0 HD21 LEU A 10 2.520 6.457 -5.283 1.00 1.41 H new ATOM 0 HD22 LEU A 10 1.781 7.682 -6.341 1.00 1.41 H new ATOM 0 HD23 LEU A 10 2.713 6.341 -7.048 1.00 1.41 H new ATOM 152 N THR A 11 7.178 8.218 -8.222 1.00 0.49 N ATOM 153 CA THR A 11 8.488 7.830 -7.745 1.00 0.47 C ATOM 154 C THR A 11 8.860 8.658 -6.518 1.00 0.53 C ATOM 155 O THR A 11 8.660 9.873 -6.486 1.00 0.66 O ATOM 156 CB THR A 11 9.570 7.961 -8.847 1.00 0.63 C ATOM 157 OG1 THR A 11 10.832 7.474 -8.364 1.00 1.03 O ATOM 158 CG2 THR A 11 9.722 9.403 -9.312 1.00 0.99 C ATOM 0 H THR A 11 7.135 9.142 -8.651 1.00 0.49 H new ATOM 0 HA THR A 11 8.445 6.777 -7.467 1.00 0.47 H new ATOM 0 HB THR A 11 9.248 7.361 -9.698 1.00 0.63 H new ATOM 0 HG1 THR A 11 10.678 6.797 -7.672 1.00 1.03 H new ATOM 0 HG21 THR A 11 10.489 9.457 -10.085 1.00 0.99 H new ATOM 0 HG22 THR A 11 8.774 9.757 -9.717 1.00 0.99 H new ATOM 0 HG23 THR A 11 10.012 10.029 -8.468 1.00 0.99 H new ATOM 166 N VAL A 12 9.356 7.981 -5.497 1.00 0.52 N ATOM 167 CA VAL A 12 9.755 8.629 -4.261 1.00 0.63 C ATOM 168 C VAL A 12 11.248 8.432 -4.047 1.00 0.48 C ATOM 169 O VAL A 12 11.735 7.304 -4.080 1.00 0.57 O ATOM 170 CB VAL A 12 8.983 8.056 -3.049 1.00 0.82 C ATOM 171 CG1 VAL A 12 9.366 8.776 -1.765 1.00 1.45 C ATOM 172 CG2 VAL A 12 7.481 8.142 -3.279 1.00 1.45 C ATOM 0 H VAL A 12 9.493 6.970 -5.502 1.00 0.52 H new ATOM 0 HA VAL A 12 9.522 9.691 -4.342 1.00 0.63 H new ATOM 0 HB VAL A 12 9.258 7.007 -2.944 1.00 0.82 H new ATOM 0 HG11 VAL A 12 8.808 8.352 -0.930 1.00 1.45 H new ATOM 0 HG12 VAL A 12 10.434 8.656 -1.585 1.00 1.45 H new ATOM 0 HG13 VAL A 12 9.130 9.836 -1.858 1.00 1.45 H new ATOM 0 HG21 VAL A 12 6.957 7.734 -2.415 1.00 1.45 H new ATOM 0 HG22 VAL A 12 7.193 9.184 -3.419 1.00 1.45 H new ATOM 0 HG23 VAL A 12 7.216 7.570 -4.168 1.00 1.45 H new ATOM 182 N ALA A 13 11.970 9.519 -3.847 1.00 0.44 N ATOM 183 CA ALA A 13 13.410 9.448 -3.649 1.00 0.43 C ATOM 184 C ALA A 13 13.758 9.696 -2.187 1.00 0.45 C ATOM 185 O ALA A 13 13.702 10.831 -1.716 1.00 0.57 O ATOM 186 CB ALA A 13 14.115 10.448 -4.551 1.00 0.59 C ATOM 0 H ALA A 13 11.585 10.463 -3.817 1.00 0.44 H new ATOM 0 HA ALA A 13 13.752 8.448 -3.914 1.00 0.43 H new ATOM 0 HB1 ALA A 13 15.192 10.385 -4.393 1.00 0.59 H new ATOM 0 HB2 ALA A 13 13.887 10.222 -5.593 1.00 0.59 H new ATOM 0 HB3 ALA A 13 13.772 11.455 -4.315 1.00 0.59 H new ATOM 192 N LYS A 14 14.090 8.622 -1.472 1.00 0.43 N ATOM 193 CA LYS A 14 14.411 8.696 -0.047 1.00 0.50 C ATOM 194 C LYS A 14 14.927 7.355 0.463 1.00 0.41 C ATOM 195 O LYS A 14 15.059 6.396 -0.302 1.00 0.41 O ATOM 196 CB LYS A 14 13.184 9.130 0.768 1.00 0.67 C ATOM 197 CG LYS A 14 13.252 10.573 1.252 1.00 1.47 C ATOM 198 CD LYS A 14 11.878 11.112 1.619 1.00 2.23 C ATOM 199 CE LYS A 14 10.982 11.238 0.394 1.00 2.52 C ATOM 200 NZ LYS A 14 11.549 12.174 -0.616 1.00 3.42 N ATOM 0 H LYS A 14 14.144 7.681 -1.861 1.00 0.43 H new ATOM 0 HA LYS A 14 15.195 9.443 0.079 1.00 0.50 H new ATOM 0 HB2 LYS A 14 12.290 9.002 0.158 1.00 0.67 H new ATOM 0 HB3 LYS A 14 13.079 8.471 1.630 1.00 0.67 H new ATOM 0 HG2 LYS A 14 13.910 10.635 2.119 1.00 1.47 H new ATOM 0 HG3 LYS A 14 13.691 11.197 0.474 1.00 1.47 H new ATOM 0 HD2 LYS A 14 11.409 10.450 2.347 1.00 2.23 H new ATOM 0 HD3 LYS A 14 11.984 12.087 2.095 1.00 2.23 H new ATOM 0 HE2 LYS A 14 10.845 10.256 -0.058 1.00 2.52 H new ATOM 0 HE3 LYS A 14 9.996 11.588 0.700 1.00 2.52 H new ATOM 0 HZ1 LYS A 14 10.793 12.496 -1.254 1.00 3.42 H new ATOM 0 HZ2 LYS A 14 11.967 12.994 -0.133 1.00 3.42 H new ATOM 0 HZ3 LYS A 14 12.283 11.686 -1.168 1.00 3.42 H new ATOM 214 N THR A 15 15.223 7.302 1.752 1.00 0.46 N ATOM 215 CA THR A 15 15.762 6.108 2.380 1.00 0.44 C ATOM 216 C THR A 15 14.683 5.375 3.175 1.00 0.44 C ATOM 217 O THR A 15 13.607 5.916 3.419 1.00 0.50 O ATOM 218 CB THR A 15 16.919 6.478 3.329 1.00 0.49 C ATOM 219 OG1 THR A 15 16.462 7.449 4.278 1.00 0.63 O ATOM 220 CG2 THR A 15 18.106 7.037 2.558 1.00 0.52 C ATOM 0 H THR A 15 15.096 8.086 2.392 1.00 0.46 H new ATOM 0 HA THR A 15 16.129 5.454 1.589 1.00 0.44 H new ATOM 0 HB THR A 15 17.244 5.575 3.845 1.00 0.49 H new ATOM 0 HG1 THR A 15 17.195 7.685 4.884 1.00 0.63 H new ATOM 0 HG21 THR A 15 18.906 7.289 3.254 1.00 0.52 H new ATOM 0 HG22 THR A 15 18.464 6.290 1.849 1.00 0.52 H new ATOM 0 HG23 THR A 15 17.800 7.933 2.018 1.00 0.52 H new ATOM 228 N ARG A 16 14.972 4.139 3.576 1.00 0.40 N ATOM 229 CA ARG A 16 14.054 3.387 4.428 1.00 0.43 C ATOM 230 C ARG A 16 14.359 3.707 5.881 1.00 0.46 C ATOM 231 O ARG A 16 13.616 3.333 6.785 1.00 0.55 O ATOM 232 CB ARG A 16 14.145 1.865 4.207 1.00 0.50 C ATOM 233 CG ARG A 16 13.882 1.413 2.774 1.00 0.57 C ATOM 234 CD ARG A 16 15.085 1.651 1.872 1.00 0.68 C ATOM 235 NE ARG A 16 14.749 1.532 0.458 1.00 1.22 N ATOM 236 CZ ARG A 16 14.841 2.544 -0.409 1.00 2.43 C ATOM 237 NH1 ARG A 16 15.318 3.713 -0.010 1.00 3.01 N ATOM 238 NH2 ARG A 16 14.472 2.382 -1.673 1.00 3.14 N ATOM 0 H ARG A 16 15.827 3.641 3.327 1.00 0.40 H new ATOM 0 HA ARG A 16 13.039 3.687 4.165 1.00 0.43 H new ATOM 0 HB2 ARG A 16 15.138 1.527 4.504 1.00 0.50 H new ATOM 0 HB3 ARG A 16 13.430 1.372 4.866 1.00 0.50 H new ATOM 0 HG2 ARG A 16 13.629 0.353 2.769 1.00 0.57 H new ATOM 0 HG3 ARG A 16 13.020 1.949 2.377 1.00 0.57 H new ATOM 0 HD2 ARG A 16 15.490 2.645 2.065 1.00 0.68 H new ATOM 0 HD3 ARG A 16 15.868 0.934 2.118 1.00 0.68 H new ATOM 0 HE ARG A 16 14.427 0.628 0.113 1.00 1.22 H new ATOM 0 HH11 ARG A 16 15.614 3.839 0.958 1.00 3.01 H new ATOM 0 HH12 ARG A 16 15.389 4.487 -0.670 1.00 3.01 H new ATOM 0 HH21 ARG A 16 14.115 1.480 -1.989 1.00 3.14 H new ATOM 0 HH22 ARG A 16 14.545 3.159 -2.329 1.00 3.14 H new ATOM 252 N GLY A 17 15.481 4.392 6.089 1.00 0.47 N ATOM 253 CA GLY A 17 15.884 4.792 7.422 1.00 0.58 C ATOM 254 C GLY A 17 14.999 5.891 7.964 1.00 0.61 C ATOM 255 O GLY A 17 14.939 6.116 9.175 1.00 0.75 O ATOM 0 H GLY A 17 16.122 4.678 5.349 1.00 0.47 H new ATOM 0 HA2 GLY A 17 15.845 3.930 8.089 1.00 0.58 H new ATOM 0 HA3 GLY A 17 16.919 5.133 7.403 1.00 0.58 H new ATOM 259 N GLN A 18 14.321 6.584 7.052 1.00 0.58 N ATOM 260 CA GLN A 18 13.305 7.557 7.420 1.00 0.70 C ATOM 261 C GLN A 18 12.226 6.873 8.235 1.00 0.64 C ATOM 262 O GLN A 18 11.740 7.402 9.235 1.00 0.72 O ATOM 263 CB GLN A 18 12.648 8.158 6.177 1.00 0.86 C ATOM 264 CG GLN A 18 13.595 8.865 5.229 1.00 1.02 C ATOM 265 CD GLN A 18 14.367 9.979 5.905 1.00 1.49 C ATOM 266 OE1 GLN A 18 15.481 9.772 6.388 1.00 2.00 O ATOM 267 NE2 GLN A 18 13.772 11.158 5.978 1.00 2.17 N ATOM 0 H GLN A 18 14.461 6.486 6.046 1.00 0.58 H new ATOM 0 HA GLN A 18 13.787 8.348 7.994 1.00 0.70 H new ATOM 0 HB2 GLN A 18 12.140 7.362 5.632 1.00 0.86 H new ATOM 0 HB3 GLN A 18 11.882 8.865 6.496 1.00 0.86 H new ATOM 0 HG2 GLN A 18 14.296 8.141 4.814 1.00 1.02 H new ATOM 0 HG3 GLN A 18 13.028 9.275 4.393 1.00 1.02 H new ATOM 0 HE21 GLN A 18 12.849 11.290 5.565 1.00 2.17 H new ATOM 0 HE22 GLN A 18 14.237 11.936 6.447 1.00 2.17 H new ATOM 276 N LEU A 19 11.878 5.678 7.794 1.00 0.60 N ATOM 277 CA LEU A 19 10.774 4.941 8.362 1.00 0.62 C ATOM 278 C LEU A 19 11.201 4.254 9.655 1.00 0.78 C ATOM 279 O LEU A 19 11.859 3.211 9.640 1.00 1.61 O ATOM 280 CB LEU A 19 10.260 3.904 7.360 1.00 0.62 C ATOM 281 CG LEU A 19 10.347 4.305 5.883 1.00 0.52 C ATOM 282 CD1 LEU A 19 9.946 3.143 4.989 1.00 0.92 C ATOM 283 CD2 LEU A 19 9.470 5.511 5.604 1.00 0.89 C ATOM 0 H LEU A 19 12.355 5.195 7.033 1.00 0.60 H new ATOM 0 HA LEU A 19 9.970 5.641 8.589 1.00 0.62 H new ATOM 0 HB2 LEU A 19 10.822 2.981 7.500 1.00 0.62 H new ATOM 0 HB3 LEU A 19 9.219 3.682 7.596 1.00 0.62 H new ATOM 0 HG LEU A 19 11.381 4.571 5.663 1.00 0.52 H new ATOM 0 HD11 LEU A 19 10.014 3.447 3.945 1.00 0.92 H new ATOM 0 HD12 LEU A 19 10.614 2.300 5.166 1.00 0.92 H new ATOM 0 HD13 LEU A 19 8.921 2.847 5.215 1.00 0.92 H new ATOM 0 HD21 LEU A 19 9.546 5.780 4.550 1.00 0.89 H new ATOM 0 HD22 LEU A 19 8.434 5.271 5.844 1.00 0.89 H new ATOM 0 HD23 LEU A 19 9.799 6.350 6.217 1.00 0.89 H new ATOM 295 N THR A 20 10.849 4.868 10.763 1.00 0.68 N ATOM 296 CA THR A 20 11.066 4.296 12.071 1.00 0.69 C ATOM 297 C THR A 20 9.741 3.763 12.599 1.00 0.66 C ATOM 298 O THR A 20 9.129 4.343 13.497 1.00 0.73 O ATOM 299 CB THR A 20 11.660 5.347 13.030 1.00 0.80 C ATOM 300 OG1 THR A 20 11.181 6.652 12.673 1.00 1.51 O ATOM 301 CG2 THR A 20 13.180 5.332 12.977 1.00 1.65 C ATOM 0 H THR A 20 10.401 5.784 10.781 1.00 0.68 H new ATOM 0 HA THR A 20 11.781 3.477 12.000 1.00 0.69 H new ATOM 0 HB THR A 20 11.346 5.103 14.045 1.00 0.80 H new ATOM 0 HG1 THR A 20 11.559 7.318 13.285 1.00 1.51 H new ATOM 0 HG21 THR A 20 13.575 6.082 13.662 1.00 1.65 H new ATOM 0 HG22 THR A 20 13.545 4.347 13.268 1.00 1.65 H new ATOM 0 HG23 THR A 20 13.511 5.556 11.963 1.00 1.65 H new ATOM 309 N ASP A 21 9.293 2.673 11.977 1.00 0.61 N ATOM 310 CA ASP A 21 7.966 2.104 12.213 1.00 0.61 C ATOM 311 C ASP A 21 6.886 3.052 11.704 1.00 0.58 C ATOM 312 O ASP A 21 6.529 3.014 10.529 1.00 0.73 O ATOM 313 CB ASP A 21 7.740 1.755 13.690 1.00 0.69 C ATOM 314 CG ASP A 21 8.514 0.527 14.124 1.00 1.18 C ATOM 315 OD1 ASP A 21 9.749 0.501 13.955 1.00 1.38 O ATOM 316 OD2 ASP A 21 7.896 -0.419 14.651 1.00 1.83 O ATOM 0 H ASP A 21 9.844 2.157 11.291 1.00 0.61 H new ATOM 0 HA ASP A 21 7.905 1.169 11.655 1.00 0.61 H new ATOM 0 HB2 ASP A 21 8.034 2.603 14.309 1.00 0.69 H new ATOM 0 HB3 ASP A 21 6.676 1.589 13.862 1.00 0.69 H new ATOM 321 N ALA A 22 6.410 3.939 12.565 1.00 0.65 N ATOM 322 CA ALA A 22 5.350 4.862 12.189 1.00 0.68 C ATOM 323 C ALA A 22 5.923 6.171 11.651 1.00 0.62 C ATOM 324 O ALA A 22 5.783 7.233 12.265 1.00 0.72 O ATOM 325 CB ALA A 22 4.421 5.117 13.363 1.00 0.82 C ATOM 0 H ALA A 22 6.739 4.039 13.525 1.00 0.65 H new ATOM 0 HA ALA A 22 4.770 4.402 11.389 1.00 0.68 H new ATOM 0 HB1 ALA A 22 3.635 5.810 13.061 1.00 0.82 H new ATOM 0 HB2 ALA A 22 3.973 4.177 13.683 1.00 0.82 H new ATOM 0 HB3 ALA A 22 4.988 5.548 14.188 1.00 0.82 H new ATOM 331 N ALA A 23 6.584 6.074 10.509 1.00 0.59 N ATOM 332 CA ALA A 23 7.119 7.239 9.820 1.00 0.59 C ATOM 333 C ALA A 23 6.956 7.070 8.314 1.00 0.64 C ATOM 334 O ALA A 23 7.515 6.152 7.729 1.00 0.79 O ATOM 335 CB ALA A 23 8.581 7.452 10.179 1.00 0.71 C ATOM 0 H ALA A 23 6.765 5.190 10.034 1.00 0.59 H new ATOM 0 HA ALA A 23 6.562 8.120 10.138 1.00 0.59 H new ATOM 0 HB1 ALA A 23 8.961 8.328 9.653 1.00 0.71 H new ATOM 0 HB2 ALA A 23 8.673 7.606 11.254 1.00 0.71 H new ATOM 0 HB3 ALA A 23 9.159 6.575 9.888 1.00 0.71 H new ATOM 341 N PRO A 24 6.145 7.930 7.687 1.00 0.62 N ATOM 342 CA PRO A 24 5.879 7.887 6.253 1.00 0.72 C ATOM 343 C PRO A 24 6.832 8.757 5.434 1.00 0.78 C ATOM 344 O PRO A 24 7.341 9.775 5.914 1.00 1.12 O ATOM 345 CB PRO A 24 4.466 8.450 6.180 1.00 0.79 C ATOM 346 CG PRO A 24 4.418 9.467 7.273 1.00 0.75 C ATOM 347 CD PRO A 24 5.381 8.998 8.341 1.00 0.63 C ATOM 0 HA PRO A 24 6.005 6.886 5.841 1.00 0.72 H new ATOM 0 HB2 PRO A 24 4.267 8.901 5.208 1.00 0.79 H new ATOM 0 HB3 PRO A 24 3.719 7.670 6.329 1.00 0.79 H new ATOM 0 HG2 PRO A 24 4.702 10.451 6.900 1.00 0.75 H new ATOM 0 HG3 PRO A 24 3.409 9.558 7.674 1.00 0.75 H new ATOM 0 HD2 PRO A 24 6.031 9.807 8.675 1.00 0.63 H new ATOM 0 HD3 PRO A 24 4.853 8.630 9.221 1.00 0.63 H new ATOM 355 N ILE A 25 7.067 8.353 4.194 1.00 0.58 N ATOM 356 CA ILE A 25 7.894 9.136 3.284 1.00 0.64 C ATOM 357 C ILE A 25 7.110 9.626 2.071 1.00 0.59 C ATOM 358 O ILE A 25 7.068 10.824 1.798 1.00 0.95 O ATOM 359 CB ILE A 25 9.120 8.349 2.795 1.00 0.92 C ATOM 360 CG1 ILE A 25 8.755 6.891 2.541 1.00 1.73 C ATOM 361 CG2 ILE A 25 10.258 8.468 3.789 1.00 1.37 C ATOM 362 CD1 ILE A 25 9.899 6.058 2.000 1.00 2.58 C ATOM 0 H ILE A 25 6.698 7.490 3.795 1.00 0.58 H new ATOM 0 HA ILE A 25 8.229 9.997 3.863 1.00 0.64 H new ATOM 0 HB ILE A 25 9.455 8.777 1.850 1.00 0.92 H new ATOM 0 HG12 ILE A 25 8.404 6.447 3.472 1.00 1.73 H new ATOM 0 HG13 ILE A 25 7.925 6.852 1.836 1.00 1.73 H new ATOM 0 HG21 ILE A 25 11.118 7.905 3.427 1.00 1.37 H new ATOM 0 HG22 ILE A 25 10.533 9.517 3.903 1.00 1.37 H new ATOM 0 HG23 ILE A 25 9.942 8.069 4.753 1.00 1.37 H new ATOM 0 HD11 ILE A 25 9.561 5.033 1.845 1.00 2.58 H new ATOM 0 HD12 ILE A 25 10.237 6.476 1.052 1.00 2.58 H new ATOM 0 HD13 ILE A 25 10.723 6.065 2.713 1.00 2.58 H new ATOM 374 N GLY A 26 6.509 8.705 1.335 1.00 0.62 N ATOM 375 CA GLY A 26 5.783 9.079 0.140 1.00 0.74 C ATOM 376 C GLY A 26 4.294 8.828 0.252 1.00 0.56 C ATOM 377 O GLY A 26 3.828 7.737 -0.075 1.00 0.65 O ATOM 0 H GLY A 26 6.511 7.706 1.543 1.00 0.62 H new ATOM 0 HA2 GLY A 26 5.954 10.135 -0.067 1.00 0.74 H new ATOM 0 HA3 GLY A 26 6.178 8.520 -0.709 1.00 0.74 H new ATOM 381 N PRO A 27 3.525 9.810 0.753 1.00 0.48 N ATOM 382 CA PRO A 27 2.064 9.741 0.760 1.00 0.44 C ATOM 383 C PRO A 27 1.489 9.628 -0.648 1.00 0.48 C ATOM 384 O PRO A 27 1.801 10.434 -1.526 1.00 0.61 O ATOM 385 CB PRO A 27 1.628 11.060 1.407 1.00 0.51 C ATOM 386 CG PRO A 27 2.825 11.546 2.145 1.00 0.66 C ATOM 387 CD PRO A 27 4.020 11.043 1.382 1.00 0.67 C ATOM 0 HA PRO A 27 1.708 8.860 1.294 1.00 0.44 H new ATOM 0 HB2 PRO A 27 1.309 11.781 0.655 1.00 0.51 H new ATOM 0 HB3 PRO A 27 0.785 10.908 2.081 1.00 0.51 H new ATOM 0 HG2 PRO A 27 2.831 12.634 2.204 1.00 0.66 H new ATOM 0 HG3 PRO A 27 2.830 11.171 3.168 1.00 0.66 H new ATOM 0 HD2 PRO A 27 4.357 11.766 0.639 1.00 0.67 H new ATOM 0 HD3 PRO A 27 4.865 10.847 2.042 1.00 0.67 H new ATOM 395 N VAL A 28 0.656 8.624 -0.854 1.00 0.45 N ATOM 396 CA VAL A 28 0.040 8.392 -2.146 1.00 0.54 C ATOM 397 C VAL A 28 -1.372 8.961 -2.167 1.00 0.57 C ATOM 398 O VAL A 28 -2.177 8.685 -1.271 1.00 0.58 O ATOM 399 CB VAL A 28 -0.005 6.885 -2.485 1.00 0.65 C ATOM 400 CG1 VAL A 28 -0.577 6.659 -3.876 1.00 1.18 C ATOM 401 CG2 VAL A 28 1.380 6.265 -2.370 1.00 1.07 C ATOM 0 H VAL A 28 0.389 7.951 -0.135 1.00 0.45 H new ATOM 0 HA VAL A 28 0.647 8.896 -2.898 1.00 0.54 H new ATOM 0 HB VAL A 28 -0.661 6.397 -1.764 1.00 0.65 H new ATOM 0 HG11 VAL A 28 -0.598 5.591 -4.091 1.00 1.18 H new ATOM 0 HG12 VAL A 28 -1.590 7.059 -3.922 1.00 1.18 H new ATOM 0 HG13 VAL A 28 0.047 7.165 -4.613 1.00 1.18 H new ATOM 0 HG21 VAL A 28 1.325 5.204 -2.613 1.00 1.07 H new ATOM 0 HG22 VAL A 28 2.059 6.761 -3.063 1.00 1.07 H new ATOM 0 HG23 VAL A 28 1.749 6.385 -1.351 1.00 1.07 H new ATOM 411 N THR A 29 -1.657 9.776 -3.168 1.00 0.61 N ATOM 412 CA THR A 29 -2.967 10.344 -3.344 1.00 0.67 C ATOM 413 C THR A 29 -3.939 9.292 -3.871 1.00 0.65 C ATOM 414 O THR A 29 -3.930 8.959 -5.057 1.00 0.75 O ATOM 415 CB THR A 29 -2.900 11.527 -4.320 1.00 0.79 C ATOM 416 OG1 THR A 29 -1.796 12.381 -3.981 1.00 1.64 O ATOM 417 CG2 THR A 29 -4.182 12.320 -4.275 1.00 1.37 C ATOM 0 H THR A 29 -0.981 10.058 -3.878 1.00 0.61 H new ATOM 0 HA THR A 29 -3.324 10.697 -2.377 1.00 0.67 H new ATOM 0 HB THR A 29 -2.760 11.136 -5.328 1.00 0.79 H new ATOM 0 HG1 THR A 29 -1.759 13.132 -4.609 1.00 1.64 H new ATOM 0 HG21 THR A 29 -4.118 13.155 -4.973 1.00 1.37 H new ATOM 0 HG22 THR A 29 -5.017 11.677 -4.554 1.00 1.37 H new ATOM 0 HG23 THR A 29 -4.339 12.701 -3.266 1.00 1.37 H new ATOM 425 N VAL A 30 -4.754 8.754 -2.979 1.00 0.62 N ATOM 426 CA VAL A 30 -5.708 7.720 -3.337 1.00 0.61 C ATOM 427 C VAL A 30 -7.107 8.294 -3.420 1.00 0.62 C ATOM 428 O VAL A 30 -7.664 8.736 -2.420 1.00 0.87 O ATOM 429 CB VAL A 30 -5.707 6.578 -2.305 1.00 0.77 C ATOM 430 CG1 VAL A 30 -6.735 5.516 -2.665 1.00 0.76 C ATOM 431 CG2 VAL A 30 -4.321 5.967 -2.200 1.00 1.01 C ATOM 0 H VAL A 30 -4.773 9.020 -1.994 1.00 0.62 H new ATOM 0 HA VAL A 30 -5.408 7.326 -4.308 1.00 0.61 H new ATOM 0 HB VAL A 30 -5.981 6.993 -1.335 1.00 0.77 H new ATOM 0 HG11 VAL A 30 -6.713 4.721 -1.920 1.00 0.76 H new ATOM 0 HG12 VAL A 30 -7.728 5.964 -2.689 1.00 0.76 H new ATOM 0 HG13 VAL A 30 -6.501 5.101 -3.645 1.00 0.76 H new ATOM 0 HG21 VAL A 30 -4.333 5.160 -1.467 1.00 1.01 H new ATOM 0 HG22 VAL A 30 -4.024 5.570 -3.171 1.00 1.01 H new ATOM 0 HG23 VAL A 30 -3.609 6.731 -1.887 1.00 1.01 H new ATOM 441 N GLN A 31 -7.679 8.274 -4.606 1.00 0.49 N ATOM 442 CA GLN A 31 -9.027 8.768 -4.796 1.00 0.52 C ATOM 443 C GLN A 31 -9.968 7.633 -5.174 1.00 0.49 C ATOM 444 O GLN A 31 -9.911 7.105 -6.286 1.00 0.54 O ATOM 445 CB GLN A 31 -9.057 9.876 -5.851 1.00 0.62 C ATOM 446 CG GLN A 31 -10.461 10.333 -6.210 1.00 1.15 C ATOM 447 CD GLN A 31 -10.485 11.646 -6.967 1.00 1.59 C ATOM 448 OE1 GLN A 31 -11.457 12.394 -6.891 1.00 2.48 O ATOM 449 NE2 GLN A 31 -9.416 11.947 -7.689 1.00 1.86 N ATOM 0 H GLN A 31 -7.232 7.921 -5.452 1.00 0.49 H new ATOM 0 HA GLN A 31 -9.370 9.192 -3.852 1.00 0.52 H new ATOM 0 HB2 GLN A 31 -8.488 10.731 -5.485 1.00 0.62 H new ATOM 0 HB3 GLN A 31 -8.557 9.522 -6.753 1.00 0.62 H new ATOM 0 HG2 GLN A 31 -10.944 9.564 -6.813 1.00 1.15 H new ATOM 0 HG3 GLN A 31 -11.047 10.436 -5.297 1.00 1.15 H new ATOM 0 HE21 GLN A 31 -8.628 11.300 -7.728 1.00 1.86 H new ATOM 0 HE22 GLN A 31 -9.381 12.825 -8.206 1.00 1.86 H new ATOM 458 N ALA A 32 -10.812 7.248 -4.227 1.00 0.53 N ATOM 459 CA ALA A 32 -11.826 6.233 -4.463 1.00 0.54 C ATOM 460 C ALA A 32 -13.135 6.895 -4.866 1.00 0.56 C ATOM 461 O ALA A 32 -13.788 7.549 -4.051 1.00 0.70 O ATOM 462 CB ALA A 32 -12.017 5.373 -3.222 1.00 0.61 C ATOM 0 H ALA A 32 -10.813 7.628 -3.280 1.00 0.53 H new ATOM 0 HA ALA A 32 -11.497 5.585 -5.276 1.00 0.54 H new ATOM 0 HB1 ALA A 32 -12.779 4.619 -3.416 1.00 0.61 H new ATOM 0 HB2 ALA A 32 -11.077 4.882 -2.971 1.00 0.61 H new ATOM 0 HB3 ALA A 32 -12.332 6.001 -2.389 1.00 0.61 H new ATOM 468 N LEU A 33 -13.496 6.745 -6.128 1.00 0.54 N ATOM 469 CA LEU A 33 -14.674 7.400 -6.671 1.00 0.64 C ATOM 470 C LEU A 33 -15.824 6.408 -6.786 1.00 0.75 C ATOM 471 O LEU A 33 -15.649 5.319 -7.313 1.00 0.84 O ATOM 472 CB LEU A 33 -14.333 7.995 -8.049 1.00 0.74 C ATOM 473 CG LEU A 33 -15.322 9.021 -8.621 1.00 1.28 C ATOM 474 CD1 LEU A 33 -16.554 8.344 -9.207 1.00 1.90 C ATOM 475 CD2 LEU A 33 -15.725 10.030 -7.556 1.00 1.94 C ATOM 0 H LEU A 33 -12.987 6.171 -6.800 1.00 0.54 H new ATOM 0 HA LEU A 33 -14.985 8.202 -6.002 1.00 0.64 H new ATOM 0 HB2 LEU A 33 -13.353 8.467 -7.983 1.00 0.74 H new ATOM 0 HB3 LEU A 33 -14.244 7.175 -8.761 1.00 0.74 H new ATOM 0 HG LEU A 33 -14.817 9.549 -9.429 1.00 1.28 H new ATOM 0 HD11 LEU A 33 -17.232 9.101 -9.602 1.00 1.90 H new ATOM 0 HD12 LEU A 33 -16.252 7.672 -10.010 1.00 1.90 H new ATOM 0 HD13 LEU A 33 -17.061 7.774 -8.428 1.00 1.90 H new ATOM 0 HD21 LEU A 33 -16.426 10.748 -7.982 1.00 1.94 H new ATOM 0 HD22 LEU A 33 -16.199 9.510 -6.723 1.00 1.94 H new ATOM 0 HD23 LEU A 33 -14.839 10.556 -7.199 1.00 1.94 H new ATOM 487 N GLY A 34 -16.990 6.788 -6.277 1.00 0.85 N ATOM 488 CA GLY A 34 -18.177 5.971 -6.448 1.00 1.06 C ATOM 489 C GLY A 34 -18.405 5.004 -5.306 1.00 0.98 C ATOM 490 O GLY A 34 -18.989 3.937 -5.499 1.00 1.81 O ATOM 0 H GLY A 34 -17.135 7.648 -5.748 1.00 0.85 H new ATOM 0 HA2 GLY A 34 -19.047 6.621 -6.544 1.00 1.06 H new ATOM 0 HA3 GLY A 34 -18.093 5.410 -7.379 1.00 1.06 H new ATOM 494 N CYS A 35 -17.963 5.372 -4.113 1.00 0.96 N ATOM 495 CA CYS A 35 -18.127 4.508 -2.953 1.00 0.86 C ATOM 496 C CYS A 35 -19.389 4.843 -2.168 1.00 0.96 C ATOM 497 O CYS A 35 -20.360 4.091 -2.224 1.00 1.88 O ATOM 498 CB CYS A 35 -16.898 4.566 -2.050 1.00 0.84 C ATOM 499 SG CYS A 35 -15.478 3.651 -2.709 1.00 1.18 S ATOM 0 H CYS A 35 -17.491 6.256 -3.923 1.00 0.96 H new ATOM 0 HA CYS A 35 -18.234 3.489 -3.324 1.00 0.86 H new ATOM 0 HB2 CYS A 35 -16.613 5.608 -1.903 1.00 0.84 H new ATOM 0 HB3 CYS A 35 -17.157 4.165 -1.070 1.00 0.84 H new ATOM 504 N ASN A 36 -19.365 5.959 -1.431 1.00 0.79 N ATOM 505 CA ASN A 36 -20.507 6.400 -0.611 1.00 0.72 C ATOM 506 C ASN A 36 -20.713 5.506 0.618 1.00 0.69 C ATOM 507 O ASN A 36 -20.915 6.007 1.725 1.00 0.80 O ATOM 508 CB ASN A 36 -21.793 6.475 -1.448 1.00 0.76 C ATOM 509 CG ASN A 36 -23.006 6.874 -0.628 1.00 1.29 C ATOM 510 OD1 ASN A 36 -23.273 8.060 -0.436 1.00 1.75 O ATOM 511 ND2 ASN A 36 -23.762 5.892 -0.158 1.00 2.14 N ATOM 0 H ASN A 36 -18.559 6.582 -1.384 1.00 0.79 H new ATOM 0 HA ASN A 36 -20.271 7.401 -0.251 1.00 0.72 H new ATOM 0 HB2 ASN A 36 -21.654 7.193 -2.256 1.00 0.76 H new ATOM 0 HB3 ASN A 36 -21.976 5.506 -1.912 1.00 0.76 H new ATOM 0 HD21 ASN A 36 -24.599 6.107 0.384 1.00 2.14 H new ATOM 0 HD22 ASN A 36 -23.507 4.921 -0.339 1.00 2.14 H new ATOM 518 N ALA A 37 -20.643 4.193 0.428 1.00 0.65 N ATOM 519 CA ALA A 37 -20.787 3.241 1.521 1.00 0.74 C ATOM 520 C ALA A 37 -20.064 1.943 1.189 1.00 0.70 C ATOM 521 O ALA A 37 -20.680 0.952 0.799 1.00 0.94 O ATOM 522 CB ALA A 37 -22.252 2.977 1.822 1.00 0.93 C ATOM 0 H ALA A 37 -20.486 3.761 -0.483 1.00 0.65 H new ATOM 0 HA ALA A 37 -20.334 3.673 2.413 1.00 0.74 H new ATOM 0 HB1 ALA A 37 -22.332 2.263 2.642 1.00 0.93 H new ATOM 0 HB2 ALA A 37 -22.739 3.910 2.105 1.00 0.93 H new ATOM 0 HB3 ALA A 37 -22.738 2.568 0.936 1.00 0.93 H new ATOM 528 N ARG A 38 -18.746 1.978 1.314 1.00 0.59 N ATOM 529 CA ARG A 38 -17.907 0.831 0.997 1.00 0.61 C ATOM 530 C ARG A 38 -16.565 0.935 1.720 1.00 0.50 C ATOM 531 O ARG A 38 -16.066 2.038 1.963 1.00 0.50 O ATOM 532 CB ARG A 38 -17.658 0.783 -0.508 1.00 0.71 C ATOM 533 CG ARG A 38 -16.987 -0.491 -1.001 1.00 0.98 C ATOM 534 CD ARG A 38 -17.987 -1.620 -1.203 1.00 2.02 C ATOM 535 NE ARG A 38 -18.569 -2.100 0.050 1.00 2.78 N ATOM 536 CZ ARG A 38 -19.863 -2.382 0.204 1.00 3.70 C ATOM 537 NH1 ARG A 38 -20.713 -2.163 -0.790 1.00 4.05 N ATOM 538 NH2 ARG A 38 -20.303 -2.865 1.356 1.00 4.64 N ATOM 0 H ARG A 38 -18.230 2.797 1.636 1.00 0.59 H new ATOM 0 HA ARG A 38 -18.418 -0.075 1.321 1.00 0.61 H new ATOM 0 HB2 ARG A 38 -18.611 0.899 -1.024 1.00 0.71 H new ATOM 0 HB3 ARG A 38 -17.039 1.635 -0.787 1.00 0.71 H new ATOM 0 HG2 ARG A 38 -16.473 -0.290 -1.941 1.00 0.98 H new ATOM 0 HG3 ARG A 38 -16.228 -0.803 -0.283 1.00 0.98 H new ATOM 0 HD2 ARG A 38 -18.786 -1.277 -1.860 1.00 2.02 H new ATOM 0 HD3 ARG A 38 -17.493 -2.449 -1.709 1.00 2.02 H new ATOM 0 HE ARG A 38 -17.950 -2.226 0.851 1.00 2.78 H new ATOM 0 HH11 ARG A 38 -20.377 -1.779 -1.673 1.00 4.05 H new ATOM 0 HH12 ARG A 38 -21.703 -2.379 -0.672 1.00 4.05 H new ATOM 0 HH21 ARG A 38 -19.652 -3.021 2.125 1.00 4.64 H new ATOM 0 HH22 ARG A 38 -21.293 -3.081 1.474 1.00 4.64 H new ATOM 552 N GLN A 39 -15.985 -0.204 2.073 1.00 0.48 N ATOM 553 CA GLN A 39 -14.639 -0.229 2.610 1.00 0.42 C ATOM 554 C GLN A 39 -13.642 -0.286 1.456 1.00 0.42 C ATOM 555 O GLN A 39 -13.831 -1.040 0.501 1.00 0.62 O ATOM 556 CB GLN A 39 -14.464 -1.424 3.553 1.00 0.47 C ATOM 557 CG GLN A 39 -15.457 -1.404 4.712 1.00 0.64 C ATOM 558 CD GLN A 39 -15.414 -2.649 5.580 1.00 0.87 C ATOM 559 OE1 GLN A 39 -15.668 -2.591 6.784 1.00 1.75 O ATOM 560 NE2 GLN A 39 -15.121 -3.784 4.975 1.00 1.40 N ATOM 0 H GLN A 39 -16.428 -1.120 1.996 1.00 0.48 H new ATOM 0 HA GLN A 39 -14.457 0.677 3.189 1.00 0.42 H new ATOM 0 HB2 GLN A 39 -14.587 -2.349 2.989 1.00 0.47 H new ATOM 0 HB3 GLN A 39 -13.448 -1.425 3.949 1.00 0.47 H new ATOM 0 HG2 GLN A 39 -15.257 -0.532 5.334 1.00 0.64 H new ATOM 0 HG3 GLN A 39 -16.464 -1.286 4.313 1.00 0.64 H new ATOM 0 HE21 GLN A 39 -14.916 -3.791 3.976 1.00 1.40 H new ATOM 0 HE22 GLN A 39 -15.099 -4.654 5.506 1.00 1.40 H new ATOM 569 N VAL A 40 -12.600 0.528 1.529 1.00 0.36 N ATOM 570 CA VAL A 40 -11.623 0.625 0.447 1.00 0.38 C ATOM 571 C VAL A 40 -10.300 0.027 0.889 1.00 0.35 C ATOM 572 O VAL A 40 -9.752 0.436 1.906 1.00 0.41 O ATOM 573 CB VAL A 40 -11.405 2.091 0.015 1.00 0.44 C ATOM 574 CG1 VAL A 40 -10.308 2.191 -1.038 1.00 0.49 C ATOM 575 CG2 VAL A 40 -12.703 2.690 -0.508 1.00 0.54 C ATOM 0 H VAL A 40 -12.406 1.134 2.327 1.00 0.36 H new ATOM 0 HA VAL A 40 -12.014 0.070 -0.406 1.00 0.38 H new ATOM 0 HB VAL A 40 -11.088 2.659 0.889 1.00 0.44 H new ATOM 0 HG11 VAL A 40 -10.174 3.234 -1.326 1.00 0.49 H new ATOM 0 HG12 VAL A 40 -9.375 1.804 -0.629 1.00 0.49 H new ATOM 0 HG13 VAL A 40 -10.590 1.606 -1.914 1.00 0.49 H new ATOM 0 HG21 VAL A 40 -12.532 3.724 -0.808 1.00 0.54 H new ATOM 0 HG22 VAL A 40 -13.049 2.115 -1.367 1.00 0.54 H new ATOM 0 HG23 VAL A 40 -13.459 2.661 0.276 1.00 0.54 H new ATOM 585 N ALA A 41 -9.794 -0.925 0.118 1.00 0.29 N ATOM 586 CA ALA A 41 -8.618 -1.674 0.496 1.00 0.28 C ATOM 587 C ALA A 41 -7.484 -1.453 -0.488 1.00 0.26 C ATOM 588 O ALA A 41 -7.710 -1.179 -1.663 1.00 0.35 O ATOM 589 CB ALA A 41 -8.951 -3.152 0.559 1.00 0.36 C ATOM 0 H ALA A 41 -10.190 -1.194 -0.783 1.00 0.29 H new ATOM 0 HA ALA A 41 -8.295 -1.323 1.476 1.00 0.28 H new ATOM 0 HB1 ALA A 41 -8.061 -3.714 0.844 1.00 0.36 H new ATOM 0 HB2 ALA A 41 -9.736 -3.317 1.297 1.00 0.36 H new ATOM 0 HB3 ALA A 41 -9.295 -3.489 -0.419 1.00 0.36 H new ATOM 595 N LEU A 42 -6.270 -1.592 -0.001 1.00 0.27 N ATOM 596 CA LEU A 42 -5.095 -1.495 -0.839 1.00 0.31 C ATOM 597 C LEU A 42 -4.537 -2.883 -1.109 1.00 0.31 C ATOM 598 O LEU A 42 -3.946 -3.506 -0.231 1.00 0.48 O ATOM 599 CB LEU A 42 -4.047 -0.625 -0.151 1.00 0.39 C ATOM 600 CG LEU A 42 -4.567 0.731 0.322 1.00 0.52 C ATOM 601 CD1 LEU A 42 -3.546 1.404 1.216 1.00 0.80 C ATOM 602 CD2 LEU A 42 -4.908 1.621 -0.865 1.00 0.84 C ATOM 0 H LEU A 42 -6.070 -1.775 0.982 1.00 0.27 H new ATOM 0 HA LEU A 42 -5.365 -1.037 -1.791 1.00 0.31 H new ATOM 0 HB2 LEU A 42 -3.648 -1.167 0.706 1.00 0.39 H new ATOM 0 HB3 LEU A 42 -3.218 -0.463 -0.840 1.00 0.39 H new ATOM 0 HG LEU A 42 -5.478 0.568 0.898 1.00 0.52 H new ATOM 0 HD11 LEU A 42 -3.931 2.369 1.545 1.00 0.80 H new ATOM 0 HD12 LEU A 42 -3.352 0.775 2.085 1.00 0.80 H new ATOM 0 HD13 LEU A 42 -2.619 1.553 0.662 1.00 0.80 H new ATOM 0 HD21 LEU A 42 -5.276 2.582 -0.505 1.00 0.84 H new ATOM 0 HD22 LEU A 42 -4.015 1.778 -1.470 1.00 0.84 H new ATOM 0 HD23 LEU A 42 -5.677 1.141 -1.471 1.00 0.84 H new ATOM 614 N LYS A 43 -4.770 -3.377 -2.313 1.00 0.34 N ATOM 615 CA LYS A 43 -4.269 -4.685 -2.711 1.00 0.37 C ATOM 616 C LYS A 43 -2.995 -4.511 -3.512 1.00 0.38 C ATOM 617 O LYS A 43 -2.980 -3.812 -4.524 1.00 0.53 O ATOM 618 CB LYS A 43 -5.307 -5.456 -3.540 1.00 0.42 C ATOM 619 CG LYS A 43 -6.349 -6.218 -2.718 1.00 0.49 C ATOM 620 CD LYS A 43 -7.144 -5.313 -1.788 1.00 1.00 C ATOM 621 CE LYS A 43 -7.942 -4.264 -2.547 1.00 1.29 C ATOM 622 NZ LYS A 43 -9.073 -4.843 -3.322 1.00 1.93 N ATOM 0 H LYS A 43 -5.304 -2.892 -3.034 1.00 0.34 H new ATOM 0 HA LYS A 43 -4.066 -5.264 -1.810 1.00 0.37 H new ATOM 0 HB2 LYS A 43 -5.824 -4.753 -4.193 1.00 0.42 H new ATOM 0 HB3 LYS A 43 -4.784 -6.164 -4.183 1.00 0.42 H new ATOM 0 HG2 LYS A 43 -7.035 -6.729 -3.394 1.00 0.49 H new ATOM 0 HG3 LYS A 43 -5.849 -6.987 -2.129 1.00 0.49 H new ATOM 0 HD2 LYS A 43 -7.823 -5.919 -1.188 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -6.463 -4.818 -1.096 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -8.330 -3.530 -1.841 1.00 1.29 H new ATOM 0 HE3 LYS A 43 -7.277 -3.732 -3.227 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 -9.341 -4.190 -4.085 1.00 1.93 H new ATOM 0 HZ2 LYS A 43 -8.783 -5.754 -3.732 1.00 1.93 H new ATOM 0 HZ3 LYS A 43 -9.886 -4.991 -2.691 1.00 1.93 H new ATOM 636 N ALA A 44 -1.928 -5.127 -3.052 1.00 0.36 N ATOM 637 CA ALA A 44 -0.654 -5.008 -3.729 1.00 0.37 C ATOM 638 C ALA A 44 -0.560 -5.999 -4.881 1.00 0.34 C ATOM 639 O ALA A 44 -1.277 -6.999 -4.912 1.00 0.36 O ATOM 640 CB ALA A 44 0.477 -5.209 -2.739 1.00 0.41 C ATOM 0 H ALA A 44 -1.916 -5.712 -2.217 1.00 0.36 H new ATOM 0 HA ALA A 44 -0.570 -4.006 -4.150 1.00 0.37 H new ATOM 0 HB1 ALA A 44 1.433 -5.118 -3.255 1.00 0.41 H new ATOM 0 HB2 ALA A 44 0.414 -4.453 -1.956 1.00 0.41 H new ATOM 0 HB3 ALA A 44 0.398 -6.200 -2.293 1.00 0.41 H new ATOM 646 N ASP A 45 0.314 -5.710 -5.829 1.00 0.36 N ATOM 647 CA ASP A 45 0.498 -6.571 -6.986 1.00 0.39 C ATOM 648 C ASP A 45 1.522 -7.653 -6.666 1.00 0.37 C ATOM 649 O ASP A 45 2.418 -7.431 -5.854 1.00 0.35 O ATOM 650 CB ASP A 45 0.948 -5.747 -8.193 1.00 0.45 C ATOM 651 CG ASP A 45 1.027 -6.575 -9.458 1.00 0.57 C ATOM 652 OD1 ASP A 45 2.036 -7.278 -9.651 1.00 0.64 O ATOM 653 OD2 ASP A 45 0.074 -6.533 -10.264 1.00 0.71 O ATOM 0 H ASP A 45 0.910 -4.882 -5.821 1.00 0.36 H new ATOM 0 HA ASP A 45 -0.452 -7.047 -7.231 1.00 0.39 H new ATOM 0 HB2 ASP A 45 0.253 -4.921 -8.345 1.00 0.45 H new ATOM 0 HB3 ASP A 45 1.924 -5.309 -7.987 1.00 0.45 H new ATOM 658 N THR A 46 1.403 -8.803 -7.330 1.00 0.47 N ATOM 659 CA THR A 46 2.191 -9.993 -7.005 1.00 0.55 C ATOM 660 C THR A 46 3.704 -9.725 -7.010 1.00 0.47 C ATOM 661 O THR A 46 4.470 -10.476 -6.406 1.00 0.56 O ATOM 662 CB THR A 46 1.863 -11.155 -7.973 1.00 0.76 C ATOM 663 OG1 THR A 46 2.374 -12.395 -7.461 1.00 1.40 O ATOM 664 CG2 THR A 46 2.441 -10.905 -9.361 1.00 0.99 C ATOM 0 H THR A 46 0.758 -8.936 -8.109 1.00 0.47 H new ATOM 0 HA THR A 46 1.911 -10.275 -5.990 1.00 0.55 H new ATOM 0 HB THR A 46 0.778 -11.214 -8.055 1.00 0.76 H new ATOM 0 HG1 THR A 46 2.157 -13.120 -8.084 1.00 1.40 H new ATOM 0 HG21 THR A 46 2.192 -11.741 -10.015 1.00 0.99 H new ATOM 0 HG22 THR A 46 2.021 -9.986 -9.770 1.00 0.99 H new ATOM 0 HG23 THR A 46 3.525 -10.809 -9.292 1.00 0.99 H new ATOM 672 N ASP A 47 4.134 -8.656 -7.681 1.00 0.42 N ATOM 673 CA ASP A 47 5.547 -8.275 -7.690 1.00 0.50 C ATOM 674 C ASP A 47 6.065 -8.037 -6.275 1.00 0.43 C ATOM 675 O ASP A 47 7.195 -8.397 -5.946 1.00 0.47 O ATOM 676 CB ASP A 47 5.762 -7.011 -8.522 1.00 0.66 C ATOM 677 CG ASP A 47 6.030 -7.307 -9.980 1.00 1.42 C ATOM 678 OD1 ASP A 47 7.158 -7.737 -10.303 1.00 1.72 O ATOM 679 OD2 ASP A 47 5.125 -7.105 -10.812 1.00 2.22 O ATOM 0 H ASP A 47 3.527 -8.041 -8.223 1.00 0.42 H new ATOM 0 HA ASP A 47 6.102 -9.101 -8.135 1.00 0.50 H new ATOM 0 HB2 ASP A 47 4.881 -6.374 -8.441 1.00 0.66 H new ATOM 0 HB3 ASP A 47 6.600 -6.449 -8.110 1.00 0.66 H new ATOM 684 N ASN A 48 5.220 -7.455 -5.441 1.00 0.38 N ATOM 685 CA ASN A 48 5.589 -7.108 -4.078 1.00 0.39 C ATOM 686 C ASN A 48 4.545 -7.645 -3.103 1.00 0.37 C ATOM 687 O ASN A 48 4.492 -7.243 -1.941 1.00 0.42 O ATOM 688 CB ASN A 48 5.709 -5.585 -3.946 1.00 0.50 C ATOM 689 CG ASN A 48 4.396 -4.869 -4.195 1.00 0.65 C ATOM 690 OD1 ASN A 48 4.026 -4.610 -5.338 1.00 1.35 O ATOM 691 ND2 ASN A 48 3.697 -4.522 -3.130 1.00 1.19 N ATOM 0 H ASN A 48 4.261 -7.210 -5.688 1.00 0.38 H new ATOM 0 HA ASN A 48 6.552 -7.559 -3.840 1.00 0.39 H new ATOM 0 HB2 ASN A 48 6.068 -5.339 -2.947 1.00 0.50 H new ATOM 0 HB3 ASN A 48 6.456 -5.221 -4.652 1.00 0.50 H new ATOM 0 HD21 ASN A 48 2.816 -4.020 -3.240 1.00 1.19 H new ATOM 0 HD22 ASN A 48 4.038 -4.756 -2.198 1.00 1.19 H new ATOM 698 N PHE A 49 3.731 -8.569 -3.596 1.00 0.35 N ATOM 699 CA PHE A 49 2.625 -9.140 -2.834 1.00 0.36 C ATOM 700 C PHE A 49 2.651 -10.651 -2.975 1.00 0.38 C ATOM 701 O PHE A 49 2.252 -11.196 -4.005 1.00 0.39 O ATOM 702 CB PHE A 49 1.313 -8.564 -3.374 1.00 0.38 C ATOM 703 CG PHE A 49 0.036 -8.954 -2.678 1.00 0.38 C ATOM 704 CD1 PHE A 49 -0.343 -8.354 -1.486 1.00 0.39 C ATOM 705 CD2 PHE A 49 -0.832 -9.858 -3.272 1.00 0.51 C ATOM 706 CE1 PHE A 49 -1.556 -8.653 -0.905 1.00 0.42 C ATOM 707 CE2 PHE A 49 -2.041 -10.169 -2.683 1.00 0.56 C ATOM 708 CZ PHE A 49 -2.407 -9.561 -1.500 1.00 0.46 C ATOM 0 H PHE A 49 3.819 -8.946 -4.540 1.00 0.35 H new ATOM 0 HA PHE A 49 2.714 -8.891 -1.777 1.00 0.36 H new ATOM 0 HB2 PHE A 49 1.389 -7.477 -3.350 1.00 0.38 H new ATOM 0 HB3 PHE A 49 1.226 -8.854 -4.421 1.00 0.38 H new ATOM 0 HD1 PHE A 49 0.319 -7.646 -1.009 1.00 0.39 H new ATOM 0 HD2 PHE A 49 -0.559 -10.324 -4.207 1.00 0.51 H new ATOM 0 HE1 PHE A 49 -1.842 -8.174 0.020 1.00 0.42 H new ATOM 0 HE2 PHE A 49 -2.700 -10.888 -3.148 1.00 0.56 H new ATOM 0 HZ PHE A 49 -3.356 -9.795 -1.041 1.00 0.46 H new ATOM 718 N GLU A 50 3.149 -11.323 -1.954 1.00 0.44 N ATOM 719 CA GLU A 50 3.261 -12.768 -1.986 1.00 0.52 C ATOM 720 C GLU A 50 2.040 -13.411 -1.358 1.00 0.52 C ATOM 721 O GLU A 50 1.976 -13.572 -0.139 1.00 0.54 O ATOM 722 CB GLU A 50 4.533 -13.221 -1.271 1.00 0.65 C ATOM 723 CG GLU A 50 5.805 -12.882 -2.030 1.00 1.22 C ATOM 724 CD GLU A 50 5.961 -13.704 -3.293 1.00 1.82 C ATOM 725 OE1 GLU A 50 5.374 -13.322 -4.326 1.00 2.41 O ATOM 726 OE2 GLU A 50 6.672 -14.732 -3.267 1.00 2.15 O ATOM 0 H GLU A 50 3.482 -10.891 -1.092 1.00 0.44 H new ATOM 0 HA GLU A 50 3.319 -13.086 -3.027 1.00 0.52 H new ATOM 0 HB2 GLU A 50 4.572 -12.757 -0.286 1.00 0.65 H new ATOM 0 HB3 GLU A 50 4.489 -14.299 -1.114 1.00 0.65 H new ATOM 0 HG2 GLU A 50 5.800 -11.823 -2.288 1.00 1.22 H new ATOM 0 HG3 GLU A 50 6.666 -13.048 -1.383 1.00 1.22 H new ATOM 733 N GLN A 51 1.067 -13.745 -2.211 1.00 0.63 N ATOM 734 CA GLN A 51 -0.175 -14.418 -1.806 1.00 0.76 C ATOM 735 C GLN A 51 -1.082 -13.504 -0.980 1.00 0.72 C ATOM 736 O GLN A 51 -2.273 -13.373 -1.271 1.00 1.07 O ATOM 737 CB GLN A 51 0.129 -15.708 -1.038 1.00 0.87 C ATOM 738 CG GLN A 51 1.000 -16.686 -1.811 1.00 1.71 C ATOM 739 CD GLN A 51 0.405 -17.072 -3.152 1.00 2.56 C ATOM 740 OE1 GLN A 51 -0.359 -18.033 -3.250 1.00 2.92 O ATOM 741 NE2 GLN A 51 0.765 -16.343 -4.199 1.00 3.43 N ATOM 0 H GLN A 51 1.118 -13.555 -3.212 1.00 0.63 H new ATOM 0 HA GLN A 51 -0.713 -14.672 -2.719 1.00 0.76 H new ATOM 0 HB2 GLN A 51 0.625 -15.455 -0.101 1.00 0.87 H new ATOM 0 HB3 GLN A 51 -0.810 -16.197 -0.779 1.00 0.87 H new ATOM 0 HG2 GLN A 51 1.983 -16.243 -1.969 1.00 1.71 H new ATOM 0 HG3 GLN A 51 1.148 -17.585 -1.212 1.00 1.71 H new ATOM 0 HE21 GLN A 51 1.400 -15.554 -4.077 1.00 3.43 H new ATOM 0 HE22 GLN A 51 0.407 -16.571 -5.126 1.00 3.43 H new ATOM 750 N GLY A 52 -0.519 -12.882 0.043 1.00 0.56 N ATOM 751 CA GLY A 52 -1.272 -11.985 0.887 1.00 0.52 C ATOM 752 C GLY A 52 -0.377 -11.240 1.854 1.00 0.48 C ATOM 753 O GLY A 52 -0.745 -11.006 3.005 1.00 0.52 O ATOM 0 H GLY A 52 0.461 -12.986 0.305 1.00 0.56 H new ATOM 0 HA2 GLY A 52 -1.812 -11.270 0.267 1.00 0.52 H new ATOM 0 HA3 GLY A 52 -2.018 -12.551 1.445 1.00 0.52 H new ATOM 757 N LYS A 53 0.818 -10.905 1.391 1.00 0.47 N ATOM 758 CA LYS A 53 1.737 -10.058 2.135 1.00 0.47 C ATOM 759 C LYS A 53 2.361 -9.071 1.174 1.00 0.42 C ATOM 760 O LYS A 53 2.811 -9.465 0.101 1.00 0.41 O ATOM 761 CB LYS A 53 2.853 -10.886 2.780 1.00 0.53 C ATOM 762 CG LYS A 53 2.369 -11.907 3.793 1.00 1.01 C ATOM 763 CD LYS A 53 1.758 -11.232 5.007 1.00 0.65 C ATOM 764 CE LYS A 53 1.096 -12.234 5.934 1.00 1.27 C ATOM 765 NZ LYS A 53 0.013 -12.987 5.248 1.00 2.12 N ATOM 0 H LYS A 53 1.178 -11.213 0.488 1.00 0.47 H new ATOM 0 HA LYS A 53 1.184 -9.547 2.923 1.00 0.47 H new ATOM 0 HB2 LYS A 53 3.405 -11.404 1.995 1.00 0.53 H new ATOM 0 HB3 LYS A 53 3.554 -10.210 3.270 1.00 0.53 H new ATOM 0 HG2 LYS A 53 1.632 -12.562 3.329 1.00 1.01 H new ATOM 0 HG3 LYS A 53 3.203 -12.536 4.105 1.00 1.01 H new ATOM 0 HD2 LYS A 53 2.532 -10.690 5.550 1.00 0.65 H new ATOM 0 HD3 LYS A 53 1.023 -10.496 4.682 1.00 0.65 H new ATOM 0 HE2 LYS A 53 1.844 -12.933 6.308 1.00 1.27 H new ATOM 0 HE3 LYS A 53 0.685 -11.713 6.799 1.00 1.27 H new ATOM 0 HZ1 LYS A 53 -0.763 -13.165 5.917 1.00 2.12 H new ATOM 0 HZ2 LYS A 53 -0.343 -12.429 4.445 1.00 2.12 H new ATOM 0 HZ3 LYS A 53 0.386 -13.894 4.901 1.00 2.12 H new ATOM 779 N PHE A 54 2.406 -7.806 1.540 1.00 0.44 N ATOM 780 CA PHE A 54 3.024 -6.826 0.679 1.00 0.41 C ATOM 781 C PHE A 54 4.232 -6.175 1.330 1.00 0.39 C ATOM 782 O PHE A 54 4.232 -5.836 2.515 1.00 0.44 O ATOM 783 CB PHE A 54 2.021 -5.779 0.166 1.00 0.43 C ATOM 784 CG PHE A 54 1.137 -5.116 1.194 1.00 0.44 C ATOM 785 CD1 PHE A 54 1.707 -4.486 2.290 1.00 0.53 C ATOM 786 CD2 PHE A 54 -0.243 -5.148 1.092 1.00 0.41 C ATOM 787 CE1 PHE A 54 0.918 -3.894 3.259 1.00 0.56 C ATOM 788 CE2 PHE A 54 -1.036 -4.560 2.059 1.00 0.44 C ATOM 789 CZ PHE A 54 -0.527 -3.859 3.033 1.00 0.51 C ATOM 0 H PHE A 54 2.028 -7.439 2.414 1.00 0.44 H new ATOM 0 HA PHE A 54 3.384 -7.370 -0.194 1.00 0.41 H new ATOM 0 HB2 PHE A 54 2.580 -5.000 -0.353 1.00 0.43 H new ATOM 0 HB3 PHE A 54 1.380 -6.258 -0.574 1.00 0.43 H new ATOM 0 HD1 PHE A 54 2.782 -4.457 2.388 1.00 0.53 H new ATOM 0 HD2 PHE A 54 -0.705 -5.638 0.248 1.00 0.41 H new ATOM 0 HE1 PHE A 54 1.354 -3.472 4.152 1.00 0.56 H new ATOM 0 HE2 PHE A 54 -2.107 -4.685 2.006 1.00 0.44 H new ATOM 0 HZ PHE A 54 -1.165 -3.259 3.666 1.00 0.51 H new ATOM 799 N PHE A 55 5.267 -6.044 0.529 1.00 0.37 N ATOM 800 CA PHE A 55 6.509 -5.428 0.936 1.00 0.36 C ATOM 801 C PHE A 55 7.035 -4.597 -0.218 1.00 0.42 C ATOM 802 O PHE A 55 6.377 -4.478 -1.249 1.00 0.55 O ATOM 803 CB PHE A 55 7.546 -6.494 1.324 1.00 0.36 C ATOM 804 CG PHE A 55 7.826 -7.495 0.235 1.00 0.39 C ATOM 805 CD1 PHE A 55 6.964 -8.553 0.020 1.00 0.53 C ATOM 806 CD2 PHE A 55 8.949 -7.376 -0.571 1.00 0.41 C ATOM 807 CE1 PHE A 55 7.213 -9.478 -0.976 1.00 0.59 C ATOM 808 CE2 PHE A 55 9.204 -8.298 -1.567 1.00 0.48 C ATOM 809 CZ PHE A 55 8.349 -9.333 -1.782 1.00 0.54 C ATOM 0 H PHE A 55 5.268 -6.368 -0.438 1.00 0.37 H new ATOM 0 HA PHE A 55 6.330 -4.798 1.807 1.00 0.36 H new ATOM 0 HB2 PHE A 55 8.478 -5.999 1.597 1.00 0.36 H new ATOM 0 HB3 PHE A 55 7.195 -7.024 2.210 1.00 0.36 H new ATOM 0 HD1 PHE A 55 6.085 -8.658 0.638 1.00 0.53 H new ATOM 0 HD2 PHE A 55 9.631 -6.553 -0.418 1.00 0.41 H new ATOM 0 HE1 PHE A 55 6.537 -10.306 -1.132 1.00 0.59 H new ATOM 0 HE2 PHE A 55 10.088 -8.196 -2.179 1.00 0.48 H new ATOM 0 HZ PHE A 55 8.546 -10.042 -2.573 1.00 0.54 H new ATOM 819 N LEU A 56 8.201 -4.014 -0.045 1.00 0.37 N ATOM 820 CA LEU A 56 8.874 -3.338 -1.138 1.00 0.44 C ATOM 821 C LEU A 56 9.988 -4.237 -1.650 1.00 0.44 C ATOM 822 O LEU A 56 10.816 -4.703 -0.865 1.00 0.53 O ATOM 823 CB LEU A 56 9.452 -1.997 -0.676 1.00 0.53 C ATOM 824 CG LEU A 56 8.545 -1.159 0.228 1.00 0.81 C ATOM 825 CD1 LEU A 56 9.138 0.224 0.436 1.00 1.53 C ATOM 826 CD2 LEU A 56 7.143 -1.053 -0.347 1.00 1.27 C ATOM 0 H LEU A 56 8.705 -3.993 0.842 1.00 0.37 H new ATOM 0 HA LEU A 56 8.158 -3.136 -1.934 1.00 0.44 H new ATOM 0 HB2 LEU A 56 10.385 -2.188 -0.146 1.00 0.53 H new ATOM 0 HB3 LEU A 56 9.701 -1.406 -1.558 1.00 0.53 H new ATOM 0 HG LEU A 56 8.475 -1.661 1.193 1.00 0.81 H new ATOM 0 HD11 LEU A 56 8.482 0.808 1.081 1.00 1.53 H new ATOM 0 HD12 LEU A 56 10.119 0.133 0.903 1.00 1.53 H new ATOM 0 HD13 LEU A 56 9.240 0.725 -0.527 1.00 1.53 H new ATOM 0 HD21 LEU A 56 6.522 -0.452 0.317 1.00 1.27 H new ATOM 0 HD22 LEU A 56 7.187 -0.581 -1.329 1.00 1.27 H new ATOM 0 HD23 LEU A 56 6.713 -2.050 -0.443 1.00 1.27 H new ATOM 838 N ILE A 57 10.016 -4.491 -2.950 1.00 0.42 N ATOM 839 CA ILE A 57 11.020 -5.383 -3.511 1.00 0.45 C ATOM 840 C ILE A 57 12.075 -4.591 -4.277 1.00 0.46 C ATOM 841 O ILE A 57 11.762 -3.680 -5.044 1.00 0.52 O ATOM 842 CB ILE A 57 10.394 -6.475 -4.419 1.00 0.53 C ATOM 843 CG1 ILE A 57 11.465 -7.449 -4.924 1.00 0.57 C ATOM 844 CG2 ILE A 57 9.646 -5.858 -5.592 1.00 0.62 C ATOM 845 CD1 ILE A 57 12.140 -8.244 -3.824 1.00 0.57 C ATOM 0 H ILE A 57 9.364 -4.098 -3.629 1.00 0.42 H new ATOM 0 HA ILE A 57 11.498 -5.893 -2.675 1.00 0.45 H new ATOM 0 HB ILE A 57 9.678 -7.031 -3.814 1.00 0.53 H new ATOM 0 HG12 ILE A 57 11.008 -8.141 -5.631 1.00 0.57 H new ATOM 0 HG13 ILE A 57 12.223 -6.888 -5.471 1.00 0.57 H new ATOM 0 HG21 ILE A 57 9.220 -6.649 -6.208 1.00 0.62 H new ATOM 0 HG22 ILE A 57 8.846 -5.219 -5.218 1.00 0.62 H new ATOM 0 HG23 ILE A 57 10.336 -5.263 -6.191 1.00 0.62 H new ATOM 0 HD11 ILE A 57 12.884 -8.910 -4.261 1.00 0.57 H new ATOM 0 HD12 ILE A 57 12.628 -7.561 -3.128 1.00 0.57 H new ATOM 0 HD13 ILE A 57 11.394 -8.833 -3.291 1.00 0.57 H new ATOM 857 N SER A 58 13.327 -4.928 -4.026 1.00 0.52 N ATOM 858 CA SER A 58 14.451 -4.239 -4.633 1.00 0.62 C ATOM 859 C SER A 58 14.743 -4.803 -6.016 1.00 0.72 C ATOM 860 O SER A 58 14.508 -5.985 -6.276 1.00 0.77 O ATOM 861 CB SER A 58 15.687 -4.378 -3.734 1.00 0.78 C ATOM 862 OG SER A 58 16.844 -3.833 -4.348 1.00 1.44 O ATOM 0 H SER A 58 13.593 -5.686 -3.397 1.00 0.52 H new ATOM 0 HA SER A 58 14.200 -3.184 -4.740 1.00 0.62 H new ATOM 0 HB2 SER A 58 15.506 -3.873 -2.785 1.00 0.78 H new ATOM 0 HB3 SER A 58 15.856 -5.431 -3.508 1.00 0.78 H new ATOM 0 HG SER A 58 17.612 -3.937 -3.748 1.00 1.44 H new ATOM 868 N ASP A 59 15.262 -3.953 -6.892 1.00 0.97 N ATOM 869 CA ASP A 59 15.703 -4.368 -8.219 1.00 1.18 C ATOM 870 C ASP A 59 16.839 -5.382 -8.105 1.00 1.20 C ATOM 871 O ASP A 59 17.026 -6.230 -8.976 1.00 1.34 O ATOM 872 CB ASP A 59 16.153 -3.142 -9.021 1.00 1.57 C ATOM 873 CG ASP A 59 16.873 -3.499 -10.307 1.00 1.80 C ATOM 874 OD1 ASP A 59 16.216 -4.031 -11.227 1.00 2.17 O ATOM 875 OD2 ASP A 59 18.098 -3.270 -10.399 1.00 2.31 O ATOM 0 H ASP A 59 15.389 -2.959 -6.704 1.00 0.97 H new ATOM 0 HA ASP A 59 14.872 -4.843 -8.740 1.00 1.18 H new ATOM 0 HB2 ASP A 59 15.282 -2.531 -9.258 1.00 1.57 H new ATOM 0 HB3 ASP A 59 16.811 -2.532 -8.401 1.00 1.57 H new ATOM 880 N ASN A 60 17.572 -5.306 -6.999 1.00 1.26 N ATOM 881 CA ASN A 60 18.651 -6.249 -6.723 1.00 1.52 C ATOM 882 C ASN A 60 18.085 -7.597 -6.285 1.00 1.40 C ATOM 883 O ASN A 60 18.801 -8.597 -6.237 1.00 1.74 O ATOM 884 CB ASN A 60 19.581 -5.700 -5.639 1.00 1.82 C ATOM 885 CG ASN A 60 20.277 -4.419 -6.058 1.00 2.52 C ATOM 886 OD1 ASN A 60 19.776 -3.319 -5.821 1.00 3.09 O ATOM 887 ND2 ASN A 60 21.428 -4.551 -6.693 1.00 3.05 N ATOM 0 H ASN A 60 17.438 -4.599 -6.277 1.00 1.26 H new ATOM 0 HA ASN A 60 19.223 -6.388 -7.641 1.00 1.52 H new ATOM 0 HB2 ASN A 60 19.006 -5.516 -4.732 1.00 1.82 H new ATOM 0 HB3 ASN A 60 20.331 -6.452 -5.394 1.00 1.82 H new ATOM 0 HD21 ASN A 60 21.935 -3.724 -7.006 1.00 3.05 H new ATOM 0 HD22 ASN A 60 21.809 -5.480 -6.870 1.00 3.05 H new ATOM 894 N ASN A 61 16.791 -7.600 -5.960 1.00 1.11 N ATOM 895 CA ASN A 61 16.069 -8.808 -5.538 1.00 1.06 C ATOM 896 C ASN A 61 16.658 -9.411 -4.262 1.00 1.11 C ATOM 897 O ASN A 61 16.417 -10.576 -3.958 1.00 1.55 O ATOM 898 CB ASN A 61 16.067 -9.871 -6.646 1.00 1.29 C ATOM 899 CG ASN A 61 15.309 -9.459 -7.898 1.00 1.85 C ATOM 900 OD1 ASN A 61 15.645 -9.887 -9.003 1.00 2.62 O ATOM 901 ND2 ASN A 61 14.282 -8.639 -7.745 1.00 2.37 N ATOM 0 H ASN A 61 16.209 -6.762 -5.981 1.00 1.11 H new ATOM 0 HA ASN A 61 15.044 -8.498 -5.334 1.00 1.06 H new ATOM 0 HB2 ASN A 61 17.098 -10.100 -6.917 1.00 1.29 H new ATOM 0 HB3 ASN A 61 15.629 -10.789 -6.254 1.00 1.29 H new ATOM 0 HD21 ASN A 61 13.741 -8.342 -8.557 1.00 2.37 H new ATOM 0 HD22 ASN A 61 14.031 -8.304 -6.815 1.00 2.37 H new ATOM 908 N ARG A 62 17.402 -8.618 -3.502 1.00 0.98 N ATOM 909 CA ARG A 62 18.051 -9.120 -2.300 1.00 1.06 C ATOM 910 C ARG A 62 17.206 -8.842 -1.069 1.00 0.90 C ATOM 911 O ARG A 62 16.620 -9.754 -0.486 1.00 1.01 O ATOM 912 CB ARG A 62 19.437 -8.492 -2.134 1.00 1.27 C ATOM 913 CG ARG A 62 20.472 -9.007 -3.122 1.00 1.79 C ATOM 914 CD ARG A 62 21.007 -10.379 -2.727 1.00 2.44 C ATOM 915 NE ARG A 62 19.965 -11.409 -2.693 1.00 3.13 N ATOM 916 CZ ARG A 62 20.168 -12.684 -3.020 1.00 3.67 C ATOM 917 NH1 ARG A 62 21.362 -13.091 -3.432 1.00 3.55 N ATOM 918 NH2 ARG A 62 19.174 -13.556 -2.927 1.00 4.66 N ATOM 0 H ARG A 62 17.570 -7.631 -3.695 1.00 0.98 H new ATOM 0 HA ARG A 62 18.162 -10.199 -2.407 1.00 1.06 H new ATOM 0 HB2 ARG A 62 19.350 -7.411 -2.245 1.00 1.27 H new ATOM 0 HB3 ARG A 62 19.791 -8.681 -1.121 1.00 1.27 H new ATOM 0 HG2 ARG A 62 20.028 -9.064 -4.116 1.00 1.79 H new ATOM 0 HG3 ARG A 62 21.299 -8.299 -3.182 1.00 1.79 H new ATOM 0 HD2 ARG A 62 21.783 -10.678 -3.432 1.00 2.44 H new ATOM 0 HD3 ARG A 62 21.476 -10.312 -1.746 1.00 2.44 H new ATOM 0 HE ARG A 62 19.028 -11.133 -2.401 1.00 3.13 H new ATOM 0 HH11 ARG A 62 22.132 -12.426 -3.500 1.00 3.55 H new ATOM 0 HH12 ARG A 62 21.510 -14.069 -3.681 1.00 3.55 H new ATOM 0 HH21 ARG A 62 18.256 -13.250 -2.605 1.00 4.66 H new ATOM 0 HH22 ARG A 62 19.328 -14.533 -3.177 1.00 4.66 H new ATOM 932 N ASP A 63 17.128 -7.578 -0.700 1.00 0.81 N ATOM 933 CA ASP A 63 16.451 -7.190 0.531 1.00 0.75 C ATOM 934 C ASP A 63 15.076 -6.616 0.261 1.00 0.61 C ATOM 935 O ASP A 63 14.788 -6.136 -0.840 1.00 0.69 O ATOM 936 CB ASP A 63 17.287 -6.177 1.309 1.00 0.92 C ATOM 937 CG ASP A 63 18.261 -6.845 2.258 1.00 1.70 C ATOM 938 OD1 ASP A 63 19.240 -7.455 1.775 1.00 2.02 O ATOM 939 OD2 ASP A 63 18.075 -6.741 3.485 1.00 2.51 O ATOM 0 H ASP A 63 17.523 -6.801 -1.231 1.00 0.81 H new ATOM 0 HA ASP A 63 16.330 -8.094 1.128 1.00 0.75 H new ATOM 0 HB2 ASP A 63 17.838 -5.549 0.609 1.00 0.92 H new ATOM 0 HB3 ASP A 63 16.625 -5.520 1.874 1.00 0.92 H new ATOM 944 N LYS A 64 14.238 -6.654 1.284 1.00 0.51 N ATOM 945 CA LYS A 64 12.875 -6.174 1.182 1.00 0.48 C ATOM 946 C LYS A 64 12.452 -5.507 2.480 1.00 0.52 C ATOM 947 O LYS A 64 13.198 -5.509 3.459 1.00 0.86 O ATOM 948 CB LYS A 64 11.921 -7.329 0.828 1.00 0.57 C ATOM 949 CG LYS A 64 12.037 -8.580 1.705 1.00 0.65 C ATOM 950 CD LYS A 64 11.349 -8.429 3.060 1.00 0.84 C ATOM 951 CE LYS A 64 12.368 -8.355 4.191 1.00 1.52 C ATOM 952 NZ LYS A 64 11.734 -8.146 5.520 1.00 2.07 N ATOM 0 H LYS A 64 14.485 -7.018 2.204 1.00 0.51 H new ATOM 0 HA LYS A 64 12.826 -5.435 0.383 1.00 0.48 H new ATOM 0 HB2 LYS A 64 10.897 -6.961 0.887 1.00 0.57 H new ATOM 0 HB3 LYS A 64 12.098 -7.617 -0.208 1.00 0.57 H new ATOM 0 HG2 LYS A 64 11.602 -9.428 1.176 1.00 0.65 H new ATOM 0 HG3 LYS A 64 13.091 -8.809 1.863 1.00 0.65 H new ATOM 0 HD2 LYS A 64 10.735 -7.528 3.061 1.00 0.84 H new ATOM 0 HD3 LYS A 64 10.678 -9.272 3.226 1.00 0.84 H new ATOM 0 HE2 LYS A 64 12.950 -9.276 4.211 1.00 1.52 H new ATOM 0 HE3 LYS A 64 13.066 -7.541 3.994 1.00 1.52 H new ATOM 0 HZ1 LYS A 64 12.222 -8.726 6.232 1.00 2.07 H new ATOM 0 HZ2 LYS A 64 11.803 -7.142 5.784 1.00 2.07 H new ATOM 0 HZ3 LYS A 64 10.733 -8.424 5.475 1.00 2.07 H new ATOM 966 N LEU A 65 11.261 -4.936 2.483 1.00 0.34 N ATOM 967 CA LEU A 65 10.684 -4.384 3.696 1.00 0.34 C ATOM 968 C LEU A 65 9.174 -4.313 3.575 1.00 0.38 C ATOM 969 O LEU A 65 8.650 -3.755 2.613 1.00 0.72 O ATOM 970 CB LEU A 65 11.255 -2.999 4.011 1.00 0.52 C ATOM 971 CG LEU A 65 10.961 -1.889 2.996 1.00 1.18 C ATOM 972 CD1 LEU A 65 10.987 -0.533 3.681 1.00 1.98 C ATOM 973 CD2 LEU A 65 11.978 -1.914 1.867 1.00 1.96 C ATOM 0 H LEU A 65 10.672 -4.842 1.655 1.00 0.34 H new ATOM 0 HA LEU A 65 10.946 -5.048 4.520 1.00 0.34 H new ATOM 0 HB2 LEU A 65 10.870 -2.684 4.981 1.00 0.52 H new ATOM 0 HB3 LEU A 65 12.336 -3.091 4.112 1.00 0.52 H new ATOM 0 HG LEU A 65 9.969 -2.060 2.578 1.00 1.18 H new ATOM 0 HD11 LEU A 65 10.777 0.248 2.950 1.00 1.98 H new ATOM 0 HD12 LEU A 65 10.232 -0.508 4.467 1.00 1.98 H new ATOM 0 HD13 LEU A 65 11.971 -0.365 4.118 1.00 1.98 H new ATOM 0 HD21 LEU A 65 11.753 -1.119 1.157 1.00 1.96 H new ATOM 0 HD22 LEU A 65 12.978 -1.764 2.274 1.00 1.96 H new ATOM 0 HD23 LEU A 65 11.934 -2.877 1.359 1.00 1.96 H new ATOM 985 N TYR A 66 8.476 -4.904 4.530 1.00 0.32 N ATOM 986 CA TYR A 66 7.026 -4.845 4.544 1.00 0.34 C ATOM 987 C TYR A 66 6.590 -3.444 4.944 1.00 0.36 C ATOM 988 O TYR A 66 7.249 -2.792 5.754 1.00 0.44 O ATOM 989 CB TYR A 66 6.443 -5.885 5.504 1.00 0.39 C ATOM 990 CG TYR A 66 6.757 -7.315 5.116 1.00 0.41 C ATOM 991 CD1 TYR A 66 7.941 -7.918 5.517 1.00 0.55 C ATOM 992 CD2 TYR A 66 5.868 -8.064 4.351 1.00 0.50 C ATOM 993 CE1 TYR A 66 8.233 -9.221 5.169 1.00 0.64 C ATOM 994 CE2 TYR A 66 6.153 -9.369 4.000 1.00 0.59 C ATOM 995 CZ TYR A 66 7.337 -9.942 4.412 1.00 0.62 C ATOM 996 OH TYR A 66 7.627 -11.241 4.068 1.00 0.75 O ATOM 0 H TYR A 66 8.888 -5.428 5.302 1.00 0.32 H new ATOM 0 HA TYR A 66 6.650 -5.073 3.546 1.00 0.34 H new ATOM 0 HB2 TYR A 66 6.828 -5.697 6.506 1.00 0.39 H new ATOM 0 HB3 TYR A 66 5.361 -5.759 5.549 1.00 0.39 H new ATOM 0 HD1 TYR A 66 8.647 -7.357 6.112 1.00 0.55 H new ATOM 0 HD2 TYR A 66 4.940 -7.617 4.026 1.00 0.50 H new ATOM 0 HE1 TYR A 66 9.160 -9.673 5.489 1.00 0.64 H new ATOM 0 HE2 TYR A 66 5.452 -9.937 3.406 1.00 0.59 H new ATOM 0 HH TYR A 66 6.892 -11.610 3.534 1.00 0.75 H new ATOM 1006 N VAL A 67 5.500 -2.975 4.369 1.00 0.35 N ATOM 1007 CA VAL A 67 5.050 -1.616 4.613 1.00 0.38 C ATOM 1008 C VAL A 67 3.633 -1.580 5.137 1.00 0.40 C ATOM 1009 O VAL A 67 2.868 -2.524 4.971 1.00 0.73 O ATOM 1010 CB VAL A 67 5.140 -0.749 3.344 1.00 0.49 C ATOM 1011 CG1 VAL A 67 6.595 -0.482 2.996 1.00 0.67 C ATOM 1012 CG2 VAL A 67 4.414 -1.410 2.180 1.00 0.60 C ATOM 0 H VAL A 67 4.911 -3.511 3.732 1.00 0.35 H new ATOM 0 HA VAL A 67 5.718 -1.207 5.371 1.00 0.38 H new ATOM 0 HB VAL A 67 4.650 0.205 3.540 1.00 0.49 H new ATOM 0 HG11 VAL A 67 6.647 0.132 2.097 1.00 0.67 H new ATOM 0 HG12 VAL A 67 7.076 0.042 3.822 1.00 0.67 H new ATOM 0 HG13 VAL A 67 7.106 -1.428 2.819 1.00 0.67 H new ATOM 0 HG21 VAL A 67 4.492 -0.777 1.296 1.00 0.60 H new ATOM 0 HG22 VAL A 67 4.866 -2.380 1.973 1.00 0.60 H new ATOM 0 HG23 VAL A 67 3.363 -1.546 2.437 1.00 0.60 H new ATOM 1022 N ASN A 68 3.313 -0.498 5.809 1.00 0.42 N ATOM 1023 CA ASN A 68 1.957 -0.219 6.224 1.00 0.49 C ATOM 1024 C ASN A 68 1.516 1.073 5.578 1.00 0.43 C ATOM 1025 O ASN A 68 2.048 2.139 5.880 1.00 0.50 O ATOM 1026 CB ASN A 68 1.853 -0.110 7.751 1.00 0.74 C ATOM 1027 CG ASN A 68 1.649 -1.447 8.446 1.00 0.99 C ATOM 1028 OD1 ASN A 68 1.072 -1.508 9.534 1.00 1.81 O ATOM 1029 ND2 ASN A 68 2.102 -2.527 7.827 1.00 1.60 N ATOM 0 H ASN A 68 3.988 0.216 6.084 1.00 0.42 H new ATOM 0 HA ASN A 68 1.310 -1.039 5.911 1.00 0.49 H new ATOM 0 HB2 ASN A 68 2.761 0.355 8.136 1.00 0.74 H new ATOM 0 HB3 ASN A 68 1.024 0.551 8.004 1.00 0.74 H new ATOM 0 HD21 ASN A 68 1.978 -3.447 8.250 1.00 1.60 H new ATOM 0 HD22 ASN A 68 2.575 -2.439 6.928 1.00 1.60 H new ATOM 1036 N ILE A 69 0.579 0.977 4.657 1.00 0.42 N ATOM 1037 CA ILE A 69 0.101 2.152 3.958 1.00 0.41 C ATOM 1038 C ILE A 69 -1.108 2.711 4.684 1.00 0.41 C ATOM 1039 O ILE A 69 -2.246 2.379 4.365 1.00 0.50 O ATOM 1040 CB ILE A 69 -0.275 1.845 2.494 1.00 0.50 C ATOM 1041 CG1 ILE A 69 0.445 0.586 2.001 1.00 0.48 C ATOM 1042 CG2 ILE A 69 0.082 3.032 1.613 1.00 0.81 C ATOM 1043 CD1 ILE A 69 0.081 0.186 0.588 1.00 0.74 C ATOM 0 H ILE A 69 0.135 0.102 4.376 1.00 0.42 H new ATOM 0 HA ILE A 69 0.910 2.882 3.944 1.00 0.41 H new ATOM 0 HB ILE A 69 -1.349 1.666 2.440 1.00 0.50 H new ATOM 0 HG12 ILE A 69 1.521 0.750 2.056 1.00 0.48 H new ATOM 0 HG13 ILE A 69 0.213 -0.240 2.673 1.00 0.48 H new ATOM 0 HG21 ILE A 69 -0.185 2.811 0.580 1.00 0.81 H new ATOM 0 HG22 ILE A 69 -0.466 3.912 1.949 1.00 0.81 H new ATOM 0 HG23 ILE A 69 1.153 3.224 1.678 1.00 0.81 H new ATOM 0 HD11 ILE A 69 0.631 -0.713 0.311 1.00 0.74 H new ATOM 0 HD12 ILE A 69 -0.989 -0.011 0.530 1.00 0.74 H new ATOM 0 HD13 ILE A 69 0.339 0.994 -0.097 1.00 0.74 H new ATOM 1055 N ARG A 70 -0.852 3.546 5.672 1.00 0.43 N ATOM 1056 CA ARG A 70 -1.909 4.058 6.520 1.00 0.45 C ATOM 1057 C ARG A 70 -2.074 5.545 6.277 1.00 0.39 C ATOM 1058 O ARG A 70 -1.092 6.243 6.035 1.00 0.41 O ATOM 1059 CB ARG A 70 -1.593 3.779 7.997 1.00 0.55 C ATOM 1060 CG ARG A 70 -2.728 4.141 8.946 1.00 1.33 C ATOM 1061 CD ARG A 70 -2.476 3.637 10.358 1.00 1.39 C ATOM 1062 NE ARG A 70 -1.333 4.290 10.994 1.00 2.23 N ATOM 1063 CZ ARG A 70 -0.733 3.832 12.094 1.00 2.69 C ATOM 1064 NH1 ARG A 70 -1.169 2.726 12.685 1.00 2.42 N ATOM 1065 NH2 ARG A 70 0.292 4.498 12.609 1.00 3.79 N ATOM 0 H ARG A 70 0.081 3.884 5.907 1.00 0.43 H new ATOM 0 HA ARG A 70 -2.844 3.554 6.276 1.00 0.45 H new ATOM 0 HB2 ARG A 70 -1.356 2.722 8.115 1.00 0.55 H new ATOM 0 HB3 ARG A 70 -0.702 4.339 8.281 1.00 0.55 H new ATOM 0 HG2 ARG A 70 -2.853 5.224 8.965 1.00 1.33 H new ATOM 0 HG3 ARG A 70 -3.661 3.719 8.572 1.00 1.33 H new ATOM 0 HD2 ARG A 70 -3.367 3.803 10.963 1.00 1.39 H new ATOM 0 HD3 ARG A 70 -2.305 2.561 10.330 1.00 1.39 H new ATOM 0 HE ARG A 70 -0.973 5.146 10.572 1.00 2.23 H new ATOM 0 HH11 ARG A 70 -1.967 2.222 12.298 1.00 2.42 H new ATOM 0 HH12 ARG A 70 -0.706 2.381 13.526 1.00 2.42 H new ATOM 0 HH21 ARG A 70 0.618 5.356 12.164 1.00 3.79 H new ATOM 0 HH22 ARG A 70 0.754 4.152 13.450 1.00 3.79 H new ATOM 1079 N PRO A 71 -3.319 6.037 6.290 1.00 0.40 N ATOM 1080 CA PRO A 71 -3.615 7.455 6.130 1.00 0.44 C ATOM 1081 C PRO A 71 -2.698 8.347 6.949 1.00 0.47 C ATOM 1082 O PRO A 71 -2.352 8.027 8.090 1.00 0.55 O ATOM 1083 CB PRO A 71 -5.036 7.569 6.650 1.00 0.59 C ATOM 1084 CG PRO A 71 -5.653 6.256 6.326 1.00 0.54 C ATOM 1085 CD PRO A 71 -4.552 5.237 6.438 1.00 0.50 C ATOM 0 HA PRO A 71 -3.480 7.778 5.098 1.00 0.44 H new ATOM 0 HB2 PRO A 71 -5.053 7.762 7.723 1.00 0.59 H new ATOM 0 HB3 PRO A 71 -5.571 8.389 6.170 1.00 0.59 H new ATOM 0 HG2 PRO A 71 -6.467 6.028 7.014 1.00 0.54 H new ATOM 0 HG3 PRO A 71 -6.077 6.262 5.322 1.00 0.54 H new ATOM 0 HD2 PRO A 71 -4.581 4.720 7.397 1.00 0.50 H new ATOM 0 HD3 PRO A 71 -4.631 4.475 5.662 1.00 0.50 H new ATOM 1093 N MET A 72 -2.302 9.458 6.353 1.00 0.52 N ATOM 1094 CA MET A 72 -1.491 10.443 7.043 1.00 0.65 C ATOM 1095 C MET A 72 -2.267 10.954 8.254 1.00 0.81 C ATOM 1096 O MET A 72 -1.774 10.926 9.384 1.00 1.66 O ATOM 1097 CB MET A 72 -1.141 11.589 6.091 1.00 0.75 C ATOM 1098 CG MET A 72 -0.180 12.606 6.684 1.00 0.89 C ATOM 1099 SD MET A 72 0.063 14.030 5.605 1.00 1.54 S ATOM 1100 CE MET A 72 -1.591 14.724 5.597 1.00 1.71 C ATOM 0 H MET A 72 -2.531 9.700 5.389 1.00 0.52 H new ATOM 0 HA MET A 72 -0.558 9.993 7.382 1.00 0.65 H new ATOM 0 HB2 MET A 72 -0.702 11.174 5.184 1.00 0.75 H new ATOM 0 HB3 MET A 72 -2.059 12.098 5.797 1.00 0.75 H new ATOM 0 HG2 MET A 72 -0.562 12.944 7.647 1.00 0.89 H new ATOM 0 HG3 MET A 72 0.781 12.127 6.872 1.00 0.89 H new ATOM 0 HE1 MET A 72 -1.539 15.786 5.356 1.00 1.71 H new ATOM 0 HE2 MET A 72 -2.197 14.212 4.849 1.00 1.71 H new ATOM 0 HE3 MET A 72 -2.044 14.597 6.580 1.00 1.71 H new ATOM 1110 N ASP A 73 -3.490 11.400 7.993 1.00 0.85 N ATOM 1111 CA ASP A 73 -4.455 11.738 9.035 1.00 0.91 C ATOM 1112 C ASP A 73 -5.862 11.570 8.490 1.00 0.97 C ATOM 1113 O ASP A 73 -6.301 12.368 7.663 1.00 1.54 O ATOM 1114 CB ASP A 73 -4.271 13.172 9.536 1.00 1.06 C ATOM 1115 CG ASP A 73 -3.354 13.265 10.734 1.00 1.38 C ATOM 1116 OD1 ASP A 73 -3.640 12.609 11.760 1.00 1.74 O ATOM 1117 OD2 ASP A 73 -2.351 14.004 10.665 1.00 1.92 O ATOM 0 H ASP A 73 -3.843 11.539 7.046 1.00 0.85 H new ATOM 0 HA ASP A 73 -4.291 11.066 9.877 1.00 0.91 H new ATOM 0 HB2 ASP A 73 -3.869 13.784 8.729 1.00 1.06 H new ATOM 0 HB3 ASP A 73 -5.244 13.588 9.797 1.00 1.06 H new ATOM 1122 N ASN A 74 -6.561 10.530 8.934 1.00 0.80 N ATOM 1123 CA ASN A 74 -7.886 10.218 8.404 1.00 0.90 C ATOM 1124 C ASN A 74 -8.585 9.166 9.254 1.00 1.03 C ATOM 1125 O ASN A 74 -8.198 8.922 10.399 1.00 1.89 O ATOM 1126 CB ASN A 74 -7.774 9.724 6.960 1.00 0.90 C ATOM 1127 CG ASN A 74 -8.530 10.605 5.989 1.00 1.11 C ATOM 1128 OD1 ASN A 74 -9.731 10.434 5.780 1.00 1.73 O ATOM 1129 ND2 ASN A 74 -7.829 11.550 5.381 1.00 1.21 N ATOM 0 H ASN A 74 -6.234 9.890 9.658 1.00 0.80 H new ATOM 0 HA ASN A 74 -8.481 11.131 8.430 1.00 0.90 H new ATOM 0 HB2 ASN A 74 -6.723 9.688 6.672 1.00 0.90 H new ATOM 0 HB3 ASN A 74 -8.157 8.706 6.896 1.00 0.90 H new ATOM 0 HD21 ASN A 74 -8.283 12.170 4.711 1.00 1.21 H new ATOM 0 HD22 ASN A 74 -6.835 11.658 5.583 1.00 1.21 H new ATOM 1136 N SER A 75 -9.624 8.559 8.688 1.00 0.90 N ATOM 1137 CA SER A 75 -10.386 7.515 9.358 1.00 0.90 C ATOM 1138 C SER A 75 -9.516 6.309 9.714 1.00 0.84 C ATOM 1139 O SER A 75 -8.375 6.184 9.256 1.00 0.93 O ATOM 1140 CB SER A 75 -11.551 7.094 8.464 1.00 0.93 C ATOM 1141 OG SER A 75 -11.168 7.098 7.096 1.00 1.70 O ATOM 0 H SER A 75 -9.960 8.779 7.750 1.00 0.90 H new ATOM 0 HA SER A 75 -10.767 7.916 10.297 1.00 0.90 H new ATOM 0 HB2 SER A 75 -11.891 6.098 8.748 1.00 0.93 H new ATOM 0 HB3 SER A 75 -12.392 7.772 8.612 1.00 0.93 H new ATOM 0 HG SER A 75 -11.929 6.824 6.542 1.00 1.70 H new ATOM 1147 N ALA A 76 -10.065 5.426 10.537 1.00 0.82 N ATOM 1148 CA ALA A 76 -9.343 4.257 11.004 1.00 0.78 C ATOM 1149 C ALA A 76 -9.343 3.156 9.954 1.00 0.63 C ATOM 1150 O ALA A 76 -10.397 2.672 9.533 1.00 0.77 O ATOM 1151 CB ALA A 76 -9.948 3.747 12.300 1.00 0.94 C ATOM 0 H ALA A 76 -11.017 5.501 10.896 1.00 0.82 H new ATOM 0 HA ALA A 76 -8.309 4.550 11.187 1.00 0.78 H new ATOM 0 HB1 ALA A 76 -9.396 2.870 12.639 1.00 0.94 H new ATOM 0 HB2 ALA A 76 -9.892 4.527 13.060 1.00 0.94 H new ATOM 0 HB3 ALA A 76 -10.991 3.478 12.133 1.00 0.94 H new ATOM 1157 N TRP A 77 -8.156 2.775 9.531 1.00 0.47 N ATOM 1158 CA TRP A 77 -7.991 1.694 8.577 1.00 0.38 C ATOM 1159 C TRP A 77 -7.430 0.464 9.277 1.00 0.40 C ATOM 1160 O TRP A 77 -6.486 0.565 10.066 1.00 0.50 O ATOM 1161 CB TRP A 77 -7.051 2.114 7.439 1.00 0.35 C ATOM 1162 CG TRP A 77 -7.645 3.089 6.462 1.00 0.31 C ATOM 1163 CD1 TRP A 77 -8.340 4.234 6.740 1.00 0.30 C ATOM 1164 CD2 TRP A 77 -7.575 3.001 5.034 1.00 0.32 C ATOM 1165 NE1 TRP A 77 -8.722 4.848 5.569 1.00 0.31 N ATOM 1166 CE2 TRP A 77 -8.260 4.112 4.509 1.00 0.32 C ATOM 1167 CE3 TRP A 77 -7.002 2.086 4.148 1.00 0.37 C ATOM 1168 CZ2 TRP A 77 -8.386 4.327 3.139 1.00 0.37 C ATOM 1169 CZ3 TRP A 77 -7.129 2.302 2.791 1.00 0.42 C ATOM 1170 CH2 TRP A 77 -7.814 3.413 2.298 1.00 0.42 C ATOM 0 H TRP A 77 -7.281 3.202 9.836 1.00 0.47 H new ATOM 0 HA TRP A 77 -8.967 1.457 8.154 1.00 0.38 H new ATOM 0 HB2 TRP A 77 -6.153 2.555 7.872 1.00 0.35 H new ATOM 0 HB3 TRP A 77 -6.738 1.222 6.897 1.00 0.35 H new ATOM 0 HD1 TRP A 77 -8.557 4.602 7.732 1.00 0.30 H new ATOM 0 HE1 TRP A 77 -9.262 5.711 5.501 1.00 0.31 H new ATOM 0 HE3 TRP A 77 -6.468 1.223 4.519 1.00 0.37 H new ATOM 0 HZ2 TRP A 77 -8.917 5.185 2.754 1.00 0.37 H new ATOM 0 HZ3 TRP A 77 -6.690 1.599 2.098 1.00 0.42 H new ATOM 0 HH2 TRP A 77 -7.894 3.554 1.230 1.00 0.42 H new ATOM 1181 N THR A 78 -8.019 -0.686 8.994 1.00 0.38 N ATOM 1182 CA THR A 78 -7.547 -1.946 9.535 1.00 0.40 C ATOM 1183 C THR A 78 -6.291 -2.385 8.785 1.00 0.36 C ATOM 1184 O THR A 78 -6.330 -2.619 7.574 1.00 0.37 O ATOM 1185 CB THR A 78 -8.634 -3.036 9.421 1.00 0.45 C ATOM 1186 OG1 THR A 78 -9.866 -2.552 9.979 1.00 0.51 O ATOM 1187 CG2 THR A 78 -8.216 -4.310 10.140 1.00 0.49 C ATOM 0 H THR A 78 -8.833 -0.771 8.386 1.00 0.38 H new ATOM 0 HA THR A 78 -7.314 -1.806 10.590 1.00 0.40 H new ATOM 0 HB THR A 78 -8.771 -3.268 8.365 1.00 0.45 H new ATOM 0 HG1 THR A 78 -10.554 -3.246 9.903 1.00 0.51 H new ATOM 0 HG21 THR A 78 -9.002 -5.058 10.041 1.00 0.49 H new ATOM 0 HG22 THR A 78 -7.295 -4.691 9.699 1.00 0.49 H new ATOM 0 HG23 THR A 78 -8.051 -4.094 11.196 1.00 0.49 H new ATOM 1195 N THR A 79 -5.179 -2.467 9.498 1.00 0.41 N ATOM 1196 CA THR A 79 -3.902 -2.780 8.881 1.00 0.40 C ATOM 1197 C THR A 79 -3.644 -4.281 8.813 1.00 0.38 C ATOM 1198 O THR A 79 -3.531 -4.963 9.836 1.00 0.50 O ATOM 1199 CB THR A 79 -2.735 -2.077 9.612 1.00 0.51 C ATOM 1200 OG1 THR A 79 -1.479 -2.564 9.124 1.00 0.53 O ATOM 1201 CG2 THR A 79 -2.813 -2.275 11.122 1.00 0.59 C ATOM 0 H THR A 79 -5.136 -2.321 10.507 1.00 0.41 H new ATOM 0 HA THR A 79 -3.956 -2.404 7.859 1.00 0.40 H new ATOM 0 HB THR A 79 -2.817 -1.009 9.408 1.00 0.51 H new ATOM 0 HG1 THR A 79 -0.758 -1.978 9.435 1.00 0.53 H new ATOM 0 HG21 THR A 79 -1.976 -1.766 11.599 1.00 0.59 H new ATOM 0 HG22 THR A 79 -3.750 -1.861 11.495 1.00 0.59 H new ATOM 0 HG23 THR A 79 -2.769 -3.340 11.352 1.00 0.59 H new ATOM 1209 N ASP A 80 -3.572 -4.784 7.593 1.00 0.33 N ATOM 1210 CA ASP A 80 -3.151 -6.149 7.337 1.00 0.32 C ATOM 1211 C ASP A 80 -2.056 -6.105 6.278 1.00 0.36 C ATOM 1212 O ASP A 80 -1.934 -5.111 5.564 1.00 0.40 O ATOM 1213 CB ASP A 80 -4.334 -7.004 6.862 1.00 0.34 C ATOM 1214 CG ASP A 80 -4.018 -8.487 6.845 1.00 1.08 C ATOM 1215 OD1 ASP A 80 -3.504 -8.984 5.821 1.00 1.70 O ATOM 1216 OD2 ASP A 80 -4.278 -9.168 7.859 1.00 1.65 O ATOM 0 H ASP A 80 -3.804 -4.256 6.752 1.00 0.33 H new ATOM 0 HA ASP A 80 -2.773 -6.605 8.252 1.00 0.32 H new ATOM 0 HB2 ASP A 80 -5.189 -6.827 7.514 1.00 0.34 H new ATOM 0 HB3 ASP A 80 -4.626 -6.688 5.861 1.00 0.34 H new ATOM 1221 N ASN A 81 -1.249 -7.146 6.176 1.00 0.44 N ATOM 1222 CA ASN A 81 -0.165 -7.146 5.204 1.00 0.57 C ATOM 1223 C ASN A 81 -0.644 -7.587 3.835 1.00 0.59 C ATOM 1224 O ASN A 81 0.115 -7.547 2.877 1.00 0.72 O ATOM 1225 CB ASN A 81 0.991 -8.036 5.646 1.00 0.68 C ATOM 1226 CG ASN A 81 1.870 -7.381 6.693 1.00 0.81 C ATOM 1227 OD1 ASN A 81 1.647 -7.527 7.894 1.00 1.39 O ATOM 1228 ND2 ASN A 81 2.879 -6.651 6.239 1.00 0.80 N ATOM 0 H ASN A 81 -1.319 -7.991 6.743 1.00 0.44 H new ATOM 0 HA ASN A 81 0.190 -6.118 5.140 1.00 0.57 H new ATOM 0 HB2 ASN A 81 0.593 -8.969 6.045 1.00 0.68 H new ATOM 0 HB3 ASN A 81 1.598 -8.293 4.778 1.00 0.68 H new ATOM 0 HD21 ASN A 81 3.506 -6.184 6.894 1.00 0.80 H new ATOM 0 HD22 ASN A 81 3.028 -6.556 5.234 1.00 0.80 H new ATOM 1235 N GLY A 82 -1.884 -8.027 3.741 1.00 0.55 N ATOM 1236 CA GLY A 82 -2.434 -8.374 2.452 1.00 0.65 C ATOM 1237 C GLY A 82 -3.357 -7.297 1.928 1.00 0.48 C ATOM 1238 O GLY A 82 -3.409 -7.032 0.726 1.00 0.57 O ATOM 0 H GLY A 82 -2.518 -8.150 4.530 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -1.623 -8.535 1.742 1.00 0.65 H new ATOM 0 HA3 GLY A 82 -2.980 -9.314 2.531 1.00 0.65 H new ATOM 1242 N VAL A 83 -4.081 -6.666 2.836 1.00 0.40 N ATOM 1243 CA VAL A 83 -5.031 -5.633 2.474 1.00 0.44 C ATOM 1244 C VAL A 83 -4.982 -4.503 3.482 1.00 0.36 C ATOM 1245 O VAL A 83 -4.626 -4.706 4.640 1.00 0.38 O ATOM 1246 CB VAL A 83 -6.475 -6.177 2.404 1.00 0.67 C ATOM 1247 CG1 VAL A 83 -6.623 -7.186 1.274 1.00 1.16 C ATOM 1248 CG2 VAL A 83 -6.877 -6.800 3.735 1.00 0.67 C ATOM 0 H VAL A 83 -4.027 -6.854 3.837 1.00 0.40 H new ATOM 0 HA VAL A 83 -4.750 -5.270 1.485 1.00 0.44 H new ATOM 0 HB VAL A 83 -7.142 -5.340 2.199 1.00 0.67 H new ATOM 0 HG11 VAL A 83 -7.649 -7.554 1.246 1.00 1.16 H new ATOM 0 HG12 VAL A 83 -6.384 -6.707 0.325 1.00 1.16 H new ATOM 0 HG13 VAL A 83 -5.943 -8.021 1.441 1.00 1.16 H new ATOM 0 HG21 VAL A 83 -7.897 -7.178 3.667 1.00 0.67 H new ATOM 0 HG22 VAL A 83 -6.201 -7.622 3.971 1.00 0.67 H new ATOM 0 HG23 VAL A 83 -6.821 -6.047 4.521 1.00 0.67 H new ATOM 1258 N PHE A 84 -5.356 -3.319 3.051 1.00 0.32 N ATOM 1259 CA PHE A 84 -5.368 -2.175 3.934 1.00 0.29 C ATOM 1260 C PHE A 84 -6.628 -1.386 3.660 1.00 0.29 C ATOM 1261 O PHE A 84 -6.745 -0.755 2.617 1.00 0.30 O ATOM 1262 CB PHE A 84 -4.120 -1.317 3.710 1.00 0.33 C ATOM 1263 CG PHE A 84 -3.601 -0.677 4.966 1.00 0.30 C ATOM 1264 CD1 PHE A 84 -4.358 0.271 5.631 1.00 0.32 C ATOM 1265 CD2 PHE A 84 -2.357 -1.014 5.475 1.00 0.33 C ATOM 1266 CE1 PHE A 84 -3.888 0.872 6.780 1.00 0.36 C ATOM 1267 CE2 PHE A 84 -1.881 -0.416 6.626 1.00 0.35 C ATOM 1268 CZ PHE A 84 -2.634 0.481 7.297 1.00 0.36 C ATOM 0 H PHE A 84 -5.655 -3.124 2.096 1.00 0.32 H new ATOM 0 HA PHE A 84 -5.357 -2.498 4.975 1.00 0.29 H new ATOM 0 HB2 PHE A 84 -3.335 -1.937 3.276 1.00 0.33 H new ATOM 0 HB3 PHE A 84 -4.350 -0.538 2.983 1.00 0.33 H new ATOM 0 HD1 PHE A 84 -5.329 0.544 5.246 1.00 0.32 H new ATOM 0 HD2 PHE A 84 -1.753 -1.752 4.967 1.00 0.33 H new ATOM 0 HE1 PHE A 84 -4.472 1.632 7.278 1.00 0.36 H new ATOM 0 HE2 PHE A 84 -0.897 -0.669 6.992 1.00 0.35 H new ATOM 0 HZ PHE A 84 -2.278 0.899 8.227 1.00 0.36 H new ATOM 1278 N TYR A 85 -7.583 -1.456 4.570 1.00 0.32 N ATOM 1279 CA TYR A 85 -8.897 -0.894 4.315 1.00 0.34 C ATOM 1280 C TYR A 85 -9.462 -0.218 5.542 1.00 0.34 C ATOM 1281 O TYR A 85 -9.250 -0.670 6.662 1.00 0.35 O ATOM 1282 CB TYR A 85 -9.865 -1.982 3.835 1.00 0.38 C ATOM 1283 CG TYR A 85 -10.133 -3.089 4.837 1.00 0.40 C ATOM 1284 CD1 TYR A 85 -9.132 -3.981 5.203 1.00 0.42 C ATOM 1285 CD2 TYR A 85 -11.388 -3.239 5.415 1.00 0.45 C ATOM 1286 CE1 TYR A 85 -9.374 -4.995 6.108 1.00 0.48 C ATOM 1287 CE2 TYR A 85 -11.638 -4.256 6.321 1.00 0.51 C ATOM 1288 CZ TYR A 85 -10.626 -5.128 6.665 1.00 0.53 C ATOM 1289 OH TYR A 85 -10.870 -6.148 7.560 1.00 0.59 O ATOM 0 H TYR A 85 -7.475 -1.893 5.485 1.00 0.32 H new ATOM 0 HA TYR A 85 -8.781 -0.143 3.534 1.00 0.34 H new ATOM 0 HB2 TYR A 85 -10.813 -1.513 3.572 1.00 0.38 H new ATOM 0 HB3 TYR A 85 -9.465 -2.426 2.923 1.00 0.38 H new ATOM 0 HD1 TYR A 85 -8.147 -3.879 4.772 1.00 0.42 H new ATOM 0 HD2 TYR A 85 -12.180 -2.552 5.154 1.00 0.45 H new ATOM 0 HE1 TYR A 85 -8.585 -5.681 6.378 1.00 0.48 H new ATOM 0 HE2 TYR A 85 -12.620 -4.366 6.756 1.00 0.51 H new ATOM 0 HH TYR A 85 -11.801 -6.103 7.861 1.00 0.59 H new ATOM 1299 N LYS A 86 -10.178 0.872 5.323 1.00 0.36 N ATOM 1300 CA LYS A 86 -10.849 1.554 6.409 1.00 0.37 C ATOM 1301 C LYS A 86 -12.040 0.737 6.864 1.00 0.39 C ATOM 1302 O LYS A 86 -12.731 0.123 6.047 1.00 0.42 O ATOM 1303 CB LYS A 86 -11.294 2.962 5.999 1.00 0.42 C ATOM 1304 CG LYS A 86 -12.365 3.011 4.917 1.00 0.57 C ATOM 1305 CD LYS A 86 -12.830 4.441 4.682 1.00 0.87 C ATOM 1306 CE LYS A 86 -13.991 4.517 3.702 1.00 0.61 C ATOM 1307 NZ LYS A 86 -13.634 3.984 2.364 1.00 1.39 N ATOM 0 H LYS A 86 -10.307 1.300 4.406 1.00 0.36 H new ATOM 0 HA LYS A 86 -10.144 1.660 7.234 1.00 0.37 H new ATOM 0 HB2 LYS A 86 -11.668 3.480 6.882 1.00 0.42 H new ATOM 0 HB3 LYS A 86 -10.422 3.515 5.651 1.00 0.42 H new ATOM 0 HG2 LYS A 86 -11.971 2.595 3.990 1.00 0.57 H new ATOM 0 HG3 LYS A 86 -13.213 2.391 5.210 1.00 0.57 H new ATOM 0 HD2 LYS A 86 -13.130 4.884 5.632 1.00 0.87 H new ATOM 0 HD3 LYS A 86 -11.998 5.034 4.302 1.00 0.87 H new ATOM 0 HE2 LYS A 86 -14.837 3.957 4.100 1.00 0.61 H new ATOM 0 HE3 LYS A 86 -14.313 5.554 3.604 1.00 0.61 H new ATOM 0 HZ1 LYS A 86 -14.358 4.267 1.673 1.00 1.39 H new ATOM 0 HZ2 LYS A 86 -12.711 4.365 2.074 1.00 1.39 H new ATOM 0 HZ3 LYS A 86 -13.583 2.946 2.406 1.00 1.39 H new ATOM 1321 N ASN A 87 -12.277 0.723 8.162 1.00 0.45 N ATOM 1322 CA ASN A 87 -13.408 -0.004 8.713 1.00 0.51 C ATOM 1323 C ASN A 87 -14.697 0.780 8.499 1.00 0.55 C ATOM 1324 O ASN A 87 -15.790 0.305 8.798 1.00 0.83 O ATOM 1325 CB ASN A 87 -13.189 -0.324 10.199 1.00 0.61 C ATOM 1326 CG ASN A 87 -12.747 0.864 11.047 1.00 1.35 C ATOM 1327 OD1 ASN A 87 -12.007 0.695 12.016 1.00 2.00 O ATOM 1328 ND2 ASN A 87 -13.197 2.063 10.716 1.00 2.12 N ATOM 0 H ASN A 87 -11.704 1.205 8.854 1.00 0.45 H new ATOM 0 HA ASN A 87 -13.496 -0.954 8.185 1.00 0.51 H new ATOM 0 HB2 ASN A 87 -14.116 -0.723 10.611 1.00 0.61 H new ATOM 0 HB3 ASN A 87 -12.439 -1.111 10.281 1.00 0.61 H new ATOM 0 HD21 ASN A 87 -12.932 2.878 11.269 1.00 2.12 H new ATOM 0 HD22 ASN A 87 -13.809 2.173 9.907 1.00 2.12 H new ATOM 1335 N ASP A 88 -14.547 1.988 7.977 1.00 0.51 N ATOM 1336 CA ASP A 88 -15.681 2.838 7.660 1.00 0.54 C ATOM 1337 C ASP A 88 -16.203 2.518 6.273 1.00 0.46 C ATOM 1338 O ASP A 88 -15.429 2.231 5.358 1.00 0.53 O ATOM 1339 CB ASP A 88 -15.288 4.316 7.712 1.00 0.62 C ATOM 1340 CG ASP A 88 -14.847 4.754 9.089 1.00 1.32 C ATOM 1341 OD1 ASP A 88 -13.666 4.553 9.427 1.00 2.10 O ATOM 1342 OD2 ASP A 88 -15.681 5.307 9.836 1.00 1.62 O ATOM 0 H ASP A 88 -13.640 2.404 7.763 1.00 0.51 H new ATOM 0 HA ASP A 88 -16.457 2.648 8.402 1.00 0.54 H new ATOM 0 HB2 ASP A 88 -14.482 4.499 7.002 1.00 0.62 H new ATOM 0 HB3 ASP A 88 -16.135 4.924 7.396 1.00 0.62 H new ATOM 1347 N VAL A 89 -17.508 2.570 6.112 1.00 0.54 N ATOM 1348 CA VAL A 89 -18.112 2.346 4.814 1.00 0.51 C ATOM 1349 C VAL A 89 -18.461 3.675 4.146 1.00 0.51 C ATOM 1350 O VAL A 89 -19.368 4.390 4.572 1.00 0.77 O ATOM 1351 CB VAL A 89 -19.363 1.441 4.900 1.00 0.61 C ATOM 1352 CG1 VAL A 89 -18.957 0.000 5.159 1.00 1.05 C ATOM 1353 CG2 VAL A 89 -20.317 1.921 5.985 1.00 0.93 C ATOM 0 H VAL A 89 -18.171 2.765 6.862 1.00 0.54 H new ATOM 0 HA VAL A 89 -17.375 1.824 4.203 1.00 0.51 H new ATOM 0 HB VAL A 89 -19.883 1.496 3.943 1.00 0.61 H new ATOM 0 HG11 VAL A 89 -19.849 -0.624 5.217 1.00 1.05 H new ATOM 0 HG12 VAL A 89 -18.321 -0.350 4.346 1.00 1.05 H new ATOM 0 HG13 VAL A 89 -18.410 -0.060 6.100 1.00 1.05 H new ATOM 0 HG21 VAL A 89 -21.187 1.265 6.021 1.00 0.93 H new ATOM 0 HG22 VAL A 89 -19.809 1.904 6.949 1.00 0.93 H new ATOM 0 HG23 VAL A 89 -20.639 2.938 5.762 1.00 0.93 H new ATOM 1363 N GLY A 90 -17.705 4.013 3.112 1.00 0.46 N ATOM 1364 CA GLY A 90 -17.965 5.219 2.359 1.00 0.46 C ATOM 1365 C GLY A 90 -16.818 5.563 1.444 1.00 0.39 C ATOM 1366 O GLY A 90 -15.959 4.723 1.177 1.00 0.43 O ATOM 0 H GLY A 90 -16.910 3.467 2.780 1.00 0.46 H new ATOM 0 HA2 GLY A 90 -18.874 5.092 1.771 1.00 0.46 H new ATOM 0 HA3 GLY A 90 -18.143 6.046 3.046 1.00 0.46 H new ATOM 1370 N SER A 91 -16.796 6.788 0.958 1.00 0.44 N ATOM 1371 CA SER A 91 -15.701 7.251 0.136 1.00 0.50 C ATOM 1372 C SER A 91 -14.528 7.636 1.033 1.00 0.48 C ATOM 1373 O SER A 91 -14.600 7.472 2.252 1.00 0.77 O ATOM 1374 CB SER A 91 -16.165 8.426 -0.722 1.00 0.69 C ATOM 1375 OG SER A 91 -17.285 8.051 -1.511 1.00 1.17 O ATOM 0 H SER A 91 -17.527 7.481 1.120 1.00 0.44 H new ATOM 0 HA SER A 91 -15.370 6.459 -0.536 1.00 0.50 H new ATOM 0 HB2 SER A 91 -16.428 9.269 -0.083 1.00 0.69 H new ATOM 0 HB3 SER A 91 -15.352 8.757 -1.368 1.00 0.69 H new ATOM 0 HG SER A 91 -17.573 8.814 -2.054 1.00 1.17 H new ATOM 1381 N TRP A 92 -13.446 8.119 0.448 1.00 0.50 N ATOM 1382 CA TRP A 92 -12.271 8.449 1.229 1.00 0.45 C ATOM 1383 C TRP A 92 -11.441 9.507 0.516 1.00 0.44 C ATOM 1384 O TRP A 92 -11.289 10.613 1.023 1.00 0.49 O ATOM 1385 CB TRP A 92 -11.465 7.181 1.495 1.00 0.47 C ATOM 1386 CG TRP A 92 -10.490 7.367 2.596 1.00 0.44 C ATOM 1387 CD1 TRP A 92 -10.735 7.290 3.933 1.00 0.47 C ATOM 1388 CD2 TRP A 92 -9.120 7.685 2.452 1.00 0.43 C ATOM 1389 NE1 TRP A 92 -9.585 7.547 4.633 1.00 0.49 N ATOM 1390 CE2 TRP A 92 -8.576 7.794 3.739 1.00 0.47 C ATOM 1391 CE3 TRP A 92 -8.302 7.891 1.352 1.00 0.45 C ATOM 1392 CZ2 TRP A 92 -7.241 8.101 3.949 1.00 0.51 C ATOM 1393 CZ3 TRP A 92 -6.984 8.196 1.560 1.00 0.48 C ATOM 1394 CH2 TRP A 92 -6.459 8.302 2.850 1.00 0.51 C ATOM 0 H TRP A 92 -13.358 8.289 -0.554 1.00 0.50 H new ATOM 0 HA TRP A 92 -12.574 8.868 2.189 1.00 0.45 H new ATOM 0 HB2 TRP A 92 -12.143 6.365 1.745 1.00 0.47 H new ATOM 0 HB3 TRP A 92 -10.937 6.890 0.587 1.00 0.47 H new ATOM 0 HD1 TRP A 92 -11.693 7.061 4.376 1.00 0.47 H new ATOM 0 HE1 TRP A 92 -9.495 7.553 5.649 1.00 0.49 H new ATOM 0 HE3 TRP A 92 -8.697 7.812 0.350 1.00 0.45 H new ATOM 0 HZ2 TRP A 92 -6.835 8.178 4.947 1.00 0.51 H new ATOM 0 HZ3 TRP A 92 -6.337 8.358 0.710 1.00 0.48 H new ATOM 0 HH2 TRP A 92 -5.415 8.547 2.979 1.00 0.51 H new ATOM 1405 N GLY A 93 -10.961 9.152 -0.673 1.00 0.47 N ATOM 1406 CA GLY A 93 -10.157 10.055 -1.509 1.00 0.49 C ATOM 1407 C GLY A 93 -9.241 11.010 -0.743 1.00 0.57 C ATOM 1408 O GLY A 93 -9.601 12.163 -0.500 1.00 1.25 O ATOM 0 H GLY A 93 -11.115 8.233 -1.088 1.00 0.47 H new ATOM 0 HA2 GLY A 93 -9.546 9.453 -2.182 1.00 0.49 H new ATOM 0 HA3 GLY A 93 -10.831 10.644 -2.131 1.00 0.49 H new ATOM 1412 N GLY A 94 -8.047 10.549 -0.399 1.00 0.53 N ATOM 1413 CA GLY A 94 -7.125 11.371 0.361 1.00 0.50 C ATOM 1414 C GLY A 94 -5.692 10.901 0.236 1.00 0.50 C ATOM 1415 O GLY A 94 -5.317 10.310 -0.774 1.00 0.72 O ATOM 0 H GLY A 94 -7.699 9.619 -0.633 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -7.197 12.403 0.019 1.00 0.50 H new ATOM 0 HA3 GLY A 94 -7.417 11.363 1.411 1.00 0.50 H new ATOM 1419 N THR A 95 -4.893 11.150 1.262 1.00 0.46 N ATOM 1420 CA THR A 95 -3.489 10.781 1.232 1.00 0.45 C ATOM 1421 C THR A 95 -3.125 9.776 2.323 1.00 0.40 C ATOM 1422 O THR A 95 -3.354 10.007 3.515 1.00 0.45 O ATOM 1423 CB THR A 95 -2.592 12.024 1.360 1.00 0.53 C ATOM 1424 OG1 THR A 95 -3.163 12.951 2.297 1.00 0.60 O ATOM 1425 CG2 THR A 95 -2.404 12.696 0.009 1.00 0.60 C ATOM 0 H THR A 95 -5.193 11.605 2.124 1.00 0.46 H new ATOM 0 HA THR A 95 -3.317 10.304 0.267 1.00 0.45 H new ATOM 0 HB THR A 95 -1.615 11.706 1.724 1.00 0.53 H new ATOM 0 HG1 THR A 95 -2.584 13.738 2.373 1.00 0.60 H new ATOM 0 HG21 THR A 95 -1.766 13.572 0.124 1.00 0.60 H new ATOM 0 HG22 THR A 95 -1.937 11.996 -0.684 1.00 0.60 H new ATOM 0 HG23 THR A 95 -3.374 13.002 -0.383 1.00 0.60 H new ATOM 1433 N ILE A 96 -2.563 8.658 1.897 1.00 0.38 N ATOM 1434 CA ILE A 96 -2.039 7.649 2.806 1.00 0.39 C ATOM 1435 C ILE A 96 -0.520 7.664 2.746 1.00 0.40 C ATOM 1436 O ILE A 96 0.049 7.964 1.704 1.00 0.54 O ATOM 1437 CB ILE A 96 -2.534 6.239 2.437 1.00 0.49 C ATOM 1438 CG1 ILE A 96 -2.341 6.011 0.942 1.00 0.85 C ATOM 1439 CG2 ILE A 96 -3.990 6.057 2.832 1.00 0.93 C ATOM 1440 CD1 ILE A 96 -2.739 4.631 0.477 1.00 1.63 C ATOM 0 H ILE A 96 -2.456 8.422 0.910 1.00 0.38 H new ATOM 0 HA ILE A 96 -2.392 7.886 3.810 1.00 0.39 H new ATOM 0 HB ILE A 96 -1.951 5.500 2.987 1.00 0.49 H new ATOM 0 HG12 ILE A 96 -2.924 6.751 0.393 1.00 0.85 H new ATOM 0 HG13 ILE A 96 -1.294 6.180 0.691 1.00 0.85 H new ATOM 0 HG21 ILE A 96 -4.318 5.053 2.561 1.00 0.93 H new ATOM 0 HG22 ILE A 96 -4.095 6.195 3.908 1.00 0.93 H new ATOM 0 HG23 ILE A 96 -4.603 6.792 2.310 1.00 0.93 H new ATOM 0 HD11 ILE A 96 -2.573 4.547 -0.597 1.00 1.63 H new ATOM 0 HD12 ILE A 96 -2.138 3.885 0.997 1.00 1.63 H new ATOM 0 HD13 ILE A 96 -3.794 4.464 0.695 1.00 1.63 H new ATOM 1452 N GLY A 97 0.133 7.343 3.843 1.00 0.39 N ATOM 1453 CA GLY A 97 1.578 7.367 3.865 1.00 0.45 C ATOM 1454 C GLY A 97 2.149 5.975 3.956 1.00 0.39 C ATOM 1455 O GLY A 97 1.505 5.076 4.496 1.00 0.37 O ATOM 0 H GLY A 97 -0.308 7.066 4.720 1.00 0.39 H new ATOM 0 HA2 GLY A 97 1.949 7.856 2.964 1.00 0.45 H new ATOM 0 HA3 GLY A 97 1.921 7.959 4.714 1.00 0.45 H new ATOM 1459 N ILE A 98 3.343 5.773 3.420 1.00 0.38 N ATOM 1460 CA ILE A 98 3.974 4.476 3.513 1.00 0.36 C ATOM 1461 C ILE A 98 4.917 4.432 4.702 1.00 0.38 C ATOM 1462 O ILE A 98 5.931 5.133 4.740 1.00 0.42 O ATOM 1463 CB ILE A 98 4.714 4.113 2.206 1.00 0.41 C ATOM 1464 CG1 ILE A 98 3.688 3.878 1.098 1.00 0.50 C ATOM 1465 CG2 ILE A 98 5.592 2.880 2.396 1.00 0.45 C ATOM 1466 CD1 ILE A 98 4.297 3.585 -0.255 1.00 0.83 C ATOM 0 H ILE A 98 3.884 6.482 2.924 1.00 0.38 H new ATOM 0 HA ILE A 98 3.193 3.730 3.663 1.00 0.36 H new ATOM 0 HB ILE A 98 5.367 4.940 1.927 1.00 0.41 H new ATOM 0 HG12 ILE A 98 3.045 3.045 1.383 1.00 0.50 H new ATOM 0 HG13 ILE A 98 3.051 4.758 1.015 1.00 0.50 H new ATOM 0 HG21 ILE A 98 6.101 2.648 1.460 1.00 0.45 H new ATOM 0 HG22 ILE A 98 6.332 3.076 3.172 1.00 0.45 H new ATOM 0 HG23 ILE A 98 4.972 2.034 2.692 1.00 0.45 H new ATOM 0 HD11 ILE A 98 3.503 3.430 -0.986 1.00 0.83 H new ATOM 0 HD12 ILE A 98 4.917 4.426 -0.565 1.00 0.83 H new ATOM 0 HD13 ILE A 98 4.911 2.687 -0.191 1.00 0.83 H new ATOM 1478 N TYR A 99 4.541 3.628 5.684 1.00 0.42 N ATOM 1479 CA TYR A 99 5.352 3.408 6.866 1.00 0.53 C ATOM 1480 C TYR A 99 6.001 2.037 6.758 1.00 0.44 C ATOM 1481 O TYR A 99 5.452 1.145 6.113 1.00 0.50 O ATOM 1482 CB TYR A 99 4.488 3.459 8.139 1.00 0.73 C ATOM 1483 CG TYR A 99 3.522 4.631 8.222 1.00 0.55 C ATOM 1484 CD1 TYR A 99 2.328 4.624 7.519 1.00 0.74 C ATOM 1485 CD2 TYR A 99 3.818 5.749 8.990 1.00 0.88 C ATOM 1486 CE1 TYR A 99 1.453 5.693 7.584 1.00 0.82 C ATOM 1487 CE2 TYR A 99 2.948 6.820 9.059 1.00 1.11 C ATOM 1488 CZ TYR A 99 1.741 6.762 8.395 1.00 0.92 C ATOM 1489 OH TYR A 99 0.901 7.856 8.423 1.00 1.28 O ATOM 0 H TYR A 99 3.663 3.110 5.682 1.00 0.42 H new ATOM 0 HA TYR A 99 6.109 4.190 6.930 1.00 0.53 H new ATOM 0 HB2 TYR A 99 3.917 2.533 8.208 1.00 0.73 H new ATOM 0 HB3 TYR A 99 5.148 3.492 9.006 1.00 0.73 H new ATOM 0 HD1 TYR A 99 2.076 3.769 6.910 1.00 0.74 H new ATOM 0 HD2 TYR A 99 4.745 5.782 9.543 1.00 0.88 H new ATOM 0 HE1 TYR A 99 0.546 5.687 6.998 1.00 0.82 H new ATOM 0 HE2 TYR A 99 3.212 7.698 9.630 1.00 1.11 H new ATOM 0 HH TYR A 99 -0.018 7.568 8.242 1.00 1.28 H new ATOM 1499 N VAL A 100 7.156 1.858 7.372 1.00 0.44 N ATOM 1500 CA VAL A 100 7.797 0.554 7.369 1.00 0.40 C ATOM 1501 C VAL A 100 7.202 -0.314 8.474 1.00 0.42 C ATOM 1502 O VAL A 100 6.902 0.172 9.566 1.00 0.56 O ATOM 1503 CB VAL A 100 9.326 0.653 7.560 1.00 0.50 C ATOM 1504 CG1 VAL A 100 9.674 1.084 8.973 1.00 1.14 C ATOM 1505 CG2 VAL A 100 9.996 -0.668 7.222 1.00 0.78 C ATOM 0 H VAL A 100 7.664 2.587 7.873 1.00 0.44 H new ATOM 0 HA VAL A 100 7.614 0.103 6.394 1.00 0.40 H new ATOM 0 HB VAL A 100 9.701 1.414 6.875 1.00 0.50 H new ATOM 0 HG11 VAL A 100 10.757 1.145 9.078 1.00 1.14 H new ATOM 0 HG12 VAL A 100 9.234 2.061 9.174 1.00 1.14 H new ATOM 0 HG13 VAL A 100 9.281 0.356 9.683 1.00 1.14 H new ATOM 0 HG21 VAL A 100 11.073 -0.576 7.363 1.00 0.78 H new ATOM 0 HG22 VAL A 100 9.609 -1.450 7.876 1.00 0.78 H new ATOM 0 HG23 VAL A 100 9.787 -0.927 6.184 1.00 0.78 H new ATOM 1515 N ASP A 101 6.997 -1.583 8.184 1.00 0.40 N ATOM 1516 CA ASP A 101 6.570 -2.526 9.205 1.00 0.50 C ATOM 1517 C ASP A 101 7.762 -2.871 10.089 1.00 0.59 C ATOM 1518 O ASP A 101 8.439 -3.880 9.882 1.00 0.77 O ATOM 1519 CB ASP A 101 5.977 -3.789 8.571 1.00 0.67 C ATOM 1520 CG ASP A 101 5.503 -4.798 9.599 1.00 0.83 C ATOM 1521 OD1 ASP A 101 4.398 -4.621 10.150 1.00 0.93 O ATOM 1522 OD2 ASP A 101 6.236 -5.773 9.866 1.00 1.02 O ATOM 0 H ASP A 101 7.118 -1.986 7.255 1.00 0.40 H new ATOM 0 HA ASP A 101 5.788 -2.070 9.813 1.00 0.50 H new ATOM 0 HB2 ASP A 101 5.140 -3.510 7.931 1.00 0.67 H new ATOM 0 HB3 ASP A 101 6.727 -4.255 7.931 1.00 0.67 H new ATOM 1527 N GLY A 102 8.032 -2.001 11.054 1.00 0.61 N ATOM 1528 CA GLY A 102 9.214 -2.143 11.880 1.00 0.81 C ATOM 1529 C GLY A 102 10.435 -1.547 11.208 1.00 0.85 C ATOM 1530 O GLY A 102 10.846 -2.026 10.151 1.00 1.53 O ATOM 0 H GLY A 102 7.449 -1.195 11.280 1.00 0.61 H new ATOM 0 HA2 GLY A 102 9.050 -1.653 12.840 1.00 0.81 H new ATOM 0 HA3 GLY A 102 9.390 -3.199 12.087 1.00 0.81 H new ATOM 1534 N GLN A 103 10.981 -0.481 11.810 1.00 0.64 N ATOM 1535 CA GLN A 103 12.174 0.219 11.316 1.00 0.60 C ATOM 1536 C GLN A 103 13.160 -0.719 10.617 1.00 0.61 C ATOM 1537 O GLN A 103 13.843 -1.515 11.261 1.00 0.65 O ATOM 1538 CB GLN A 103 12.874 0.900 12.491 1.00 0.71 C ATOM 1539 CG GLN A 103 14.017 1.812 12.087 1.00 1.01 C ATOM 1540 CD GLN A 103 15.105 1.867 13.138 1.00 1.35 C ATOM 1541 OE1 GLN A 103 16.083 1.123 13.068 1.00 1.78 O ATOM 1542 NE2 GLN A 103 14.926 2.712 14.139 1.00 2.11 N ATOM 0 H GLN A 103 10.601 -0.076 12.665 1.00 0.64 H new ATOM 0 HA GLN A 103 11.844 0.951 10.579 1.00 0.60 H new ATOM 0 HB2 GLN A 103 12.140 1.481 13.050 1.00 0.71 H new ATOM 0 HB3 GLN A 103 13.256 0.134 13.166 1.00 0.71 H new ATOM 0 HG2 GLN A 103 14.441 1.464 11.145 1.00 1.01 H new ATOM 0 HG3 GLN A 103 13.633 2.817 11.911 1.00 1.01 H new ATOM 0 HE21 GLN A 103 14.101 3.312 14.159 1.00 2.11 H new ATOM 0 HE22 GLN A 103 15.613 2.764 14.891 1.00 2.11 H new ATOM 1551 N GLN A 104 13.225 -0.613 9.294 1.00 0.73 N ATOM 1552 CA GLN A 104 14.100 -1.465 8.495 1.00 0.94 C ATOM 1553 C GLN A 104 15.546 -0.972 8.576 1.00 1.02 C ATOM 1554 O GLN A 104 16.476 -1.666 8.163 1.00 1.28 O ATOM 1555 CB GLN A 104 13.626 -1.478 7.037 1.00 1.12 C ATOM 1556 CG GLN A 104 14.257 -2.569 6.187 1.00 1.96 C ATOM 1557 CD GLN A 104 13.772 -3.960 6.557 1.00 1.98 C ATOM 1558 OE1 GLN A 104 12.637 -4.140 7.000 1.00 2.02 O ATOM 1559 NE2 GLN A 104 14.625 -4.953 6.363 1.00 2.62 N ATOM 0 H GLN A 104 12.680 0.057 8.750 1.00 0.73 H new ATOM 0 HA GLN A 104 14.059 -2.480 8.891 1.00 0.94 H new ATOM 0 HB2 GLN A 104 12.543 -1.600 7.020 1.00 1.12 H new ATOM 0 HB3 GLN A 104 13.845 -0.510 6.587 1.00 1.12 H new ATOM 0 HG2 GLN A 104 14.034 -2.379 5.137 1.00 1.96 H new ATOM 0 HG3 GLN A 104 15.341 -2.526 6.296 1.00 1.96 H new ATOM 0 HE21 GLN A 104 15.556 -4.761 5.994 1.00 2.62 H new ATOM 0 HE22 GLN A 104 14.351 -5.911 6.582 1.00 2.62 H new ATOM 1568 N THR A 105 15.716 0.246 9.094 1.00 1.14 N ATOM 1569 CA THR A 105 17.037 0.853 9.272 1.00 1.42 C ATOM 1570 C THR A 105 17.720 1.096 7.916 1.00 1.11 C ATOM 1571 O THR A 105 18.924 1.352 7.845 1.00 1.04 O ATOM 1572 CB THR A 105 17.934 -0.035 10.172 1.00 1.90 C ATOM 1573 OG1 THR A 105 17.156 -0.567 11.253 1.00 2.27 O ATOM 1574 CG2 THR A 105 19.096 0.762 10.751 1.00 2.43 C ATOM 0 H THR A 105 14.944 0.838 9.401 1.00 1.14 H new ATOM 0 HA THR A 105 16.897 1.816 9.763 1.00 1.42 H new ATOM 0 HB THR A 105 18.333 -0.842 9.557 1.00 1.90 H new ATOM 0 HG1 THR A 105 16.921 0.155 11.873 1.00 2.27 H new ATOM 0 HG21 THR A 105 19.707 0.112 11.378 1.00 2.43 H new ATOM 0 HG22 THR A 105 19.705 1.160 9.939 1.00 2.43 H new ATOM 0 HG23 THR A 105 18.709 1.585 11.351 1.00 2.43 H new ATOM 1582 N ASN A 106 16.925 1.044 6.844 1.00 1.04 N ATOM 1583 CA ASN A 106 17.428 1.209 5.479 1.00 0.88 C ATOM 1584 C ASN A 106 18.490 0.165 5.161 1.00 0.81 C ATOM 1585 O ASN A 106 19.687 0.441 5.191 1.00 0.79 O ATOM 1586 CB ASN A 106 17.980 2.623 5.253 1.00 0.97 C ATOM 1587 CG ASN A 106 18.363 2.892 3.805 1.00 0.86 C ATOM 1588 OD1 ASN A 106 17.515 3.269 2.991 1.00 1.56 O ATOM 1589 ND2 ASN A 106 19.634 2.723 3.478 1.00 0.80 N ATOM 0 H ASN A 106 15.919 0.887 6.898 1.00 1.04 H new ATOM 0 HA ASN A 106 16.588 1.064 4.800 1.00 0.88 H new ATOM 0 HB2 ASN A 106 17.233 3.352 5.566 1.00 0.97 H new ATOM 0 HB3 ASN A 106 18.854 2.770 5.887 1.00 0.97 H new ATOM 0 HD21 ASN A 106 19.944 2.906 2.523 1.00 0.80 H new ATOM 0 HD22 ASN A 106 20.304 2.410 4.180 1.00 0.80 H new ATOM 1596 N THR A 107 18.040 -1.044 4.884 1.00 0.86 N ATOM 1597 CA THR A 107 18.939 -2.119 4.508 1.00 0.89 C ATOM 1598 C THR A 107 19.340 -1.923 3.047 1.00 0.80 C ATOM 1599 O THR A 107 18.520 -1.435 2.271 1.00 0.86 O ATOM 1600 CB THR A 107 18.268 -3.499 4.731 1.00 1.13 C ATOM 1601 OG1 THR A 107 19.188 -4.564 4.465 1.00 1.68 O ATOM 1602 CG2 THR A 107 17.027 -3.659 3.861 1.00 1.53 C ATOM 0 H THR A 107 17.055 -1.307 4.912 1.00 0.86 H new ATOM 0 HA THR A 107 19.831 -2.096 5.133 1.00 0.89 H new ATOM 0 HB THR A 107 17.965 -3.547 5.777 1.00 1.13 H new ATOM 0 HG1 THR A 107 18.697 -5.408 4.385 1.00 1.68 H new ATOM 0 HG21 THR A 107 16.580 -4.637 4.041 1.00 1.53 H new ATOM 0 HG22 THR A 107 16.306 -2.880 4.108 1.00 1.53 H new ATOM 0 HG23 THR A 107 17.306 -3.575 2.811 1.00 1.53 H new ATOM 1610 N PRO A 108 20.610 -2.254 2.686 1.00 0.82 N ATOM 1611 CA PRO A 108 21.202 -2.008 1.361 1.00 0.84 C ATOM 1612 C PRO A 108 20.191 -1.967 0.216 1.00 0.76 C ATOM 1613 O PRO A 108 19.834 -2.995 -0.364 1.00 0.91 O ATOM 1614 CB PRO A 108 22.150 -3.190 1.213 1.00 1.07 C ATOM 1615 CG PRO A 108 22.636 -3.458 2.601 1.00 1.26 C ATOM 1616 CD PRO A 108 21.590 -2.923 3.559 1.00 0.99 C ATOM 0 HA PRO A 108 21.674 -1.027 1.304 1.00 0.84 H new ATOM 0 HB2 PRO A 108 21.639 -4.058 0.797 1.00 1.07 H new ATOM 0 HB3 PRO A 108 22.976 -2.954 0.542 1.00 1.07 H new ATOM 0 HG2 PRO A 108 22.787 -4.526 2.755 1.00 1.26 H new ATOM 0 HG3 PRO A 108 23.597 -2.972 2.772 1.00 1.26 H new ATOM 0 HD2 PRO A 108 21.129 -3.726 4.134 1.00 0.99 H new ATOM 0 HD3 PRO A 108 22.025 -2.227 4.276 1.00 0.99 H new ATOM 1624 N PRO A 109 19.701 -0.760 -0.095 1.00 0.61 N ATOM 1625 CA PRO A 109 18.645 -0.555 -1.058 1.00 0.56 C ATOM 1626 C PRO A 109 19.140 -0.105 -2.426 1.00 0.57 C ATOM 1627 O PRO A 109 20.290 -0.324 -2.805 1.00 0.76 O ATOM 1628 CB PRO A 109 17.855 0.568 -0.394 1.00 0.59 C ATOM 1629 CG PRO A 109 18.878 1.385 0.338 1.00 0.64 C ATOM 1630 CD PRO A 109 20.101 0.512 0.517 1.00 0.63 C ATOM 0 HA PRO A 109 18.091 -1.470 -1.268 1.00 0.56 H new ATOM 0 HB2 PRO A 109 17.326 1.169 -1.134 1.00 0.59 H new ATOM 0 HB3 PRO A 109 17.104 0.171 0.290 1.00 0.59 H new ATOM 0 HG2 PRO A 109 19.126 2.285 -0.225 1.00 0.64 H new ATOM 0 HG3 PRO A 109 18.492 1.710 1.304 1.00 0.64 H new ATOM 0 HD2 PRO A 109 20.975 0.938 0.024 1.00 0.63 H new ATOM 0 HD3 PRO A 109 20.357 0.389 1.569 1.00 0.63 H new ATOM 1638 N GLY A 110 18.237 0.530 -3.150 1.00 0.49 N ATOM 1639 CA GLY A 110 18.531 1.056 -4.460 1.00 0.58 C ATOM 1640 C GLY A 110 17.267 1.571 -5.095 1.00 0.54 C ATOM 1641 O GLY A 110 16.877 2.720 -4.884 1.00 0.76 O ATOM 0 H GLY A 110 17.279 0.693 -2.841 1.00 0.49 H new ATOM 0 HA2 GLY A 110 19.264 1.859 -4.384 1.00 0.58 H new ATOM 0 HA3 GLY A 110 18.972 0.279 -5.084 1.00 0.58 H new ATOM 1645 N ASN A 111 16.602 0.703 -5.827 1.00 0.45 N ATOM 1646 CA ASN A 111 15.308 1.015 -6.396 1.00 0.44 C ATOM 1647 C ASN A 111 14.304 -0.052 -5.979 1.00 0.42 C ATOM 1648 O ASN A 111 14.485 -1.233 -6.271 1.00 0.58 O ATOM 1649 CB ASN A 111 15.396 1.093 -7.922 1.00 0.56 C ATOM 1650 CG ASN A 111 14.116 1.610 -8.544 1.00 1.10 C ATOM 1651 OD1 ASN A 111 13.409 2.427 -7.951 1.00 2.04 O ATOM 1652 ND2 ASN A 111 13.806 1.137 -9.741 1.00 1.41 N ATOM 0 H ASN A 111 16.941 -0.234 -6.044 1.00 0.45 H new ATOM 0 HA ASN A 111 14.980 1.986 -6.025 1.00 0.44 H new ATOM 0 HB2 ASN A 111 16.223 1.744 -8.203 1.00 0.56 H new ATOM 0 HB3 ASN A 111 15.619 0.104 -8.322 1.00 0.56 H new ATOM 0 HD21 ASN A 111 12.954 1.448 -10.207 1.00 1.41 H new ATOM 0 HD22 ASN A 111 14.419 0.462 -10.197 1.00 1.41 H new ATOM 1659 N TYR A 112 13.263 0.360 -5.275 1.00 0.35 N ATOM 1660 CA TYR A 112 12.258 -0.567 -4.794 1.00 0.37 C ATOM 1661 C TYR A 112 10.969 -0.386 -5.560 1.00 0.42 C ATOM 1662 O TYR A 112 10.453 0.726 -5.694 1.00 0.55 O ATOM 1663 CB TYR A 112 12.016 -0.400 -3.294 1.00 0.40 C ATOM 1664 CG TYR A 112 13.047 -1.103 -2.436 1.00 0.40 C ATOM 1665 CD1 TYR A 112 14.341 -0.614 -2.345 1.00 0.64 C ATOM 1666 CD2 TYR A 112 12.731 -2.247 -1.715 1.00 0.68 C ATOM 1667 CE1 TYR A 112 15.292 -1.240 -1.564 1.00 0.67 C ATOM 1668 CE2 TYR A 112 13.677 -2.879 -0.932 1.00 0.75 C ATOM 1669 CZ TYR A 112 14.924 -2.414 -0.859 1.00 0.59 C ATOM 1670 OH TYR A 112 15.899 -2.998 -0.088 1.00 0.69 O ATOM 0 H TYR A 112 13.093 1.334 -5.024 1.00 0.35 H new ATOM 0 HA TYR A 112 12.629 -1.579 -4.960 1.00 0.37 H new ATOM 0 HB2 TYR A 112 12.015 0.662 -3.050 1.00 0.40 H new ATOM 0 HB3 TYR A 112 11.026 -0.785 -3.048 1.00 0.40 H new ATOM 0 HD1 TYR A 112 14.611 0.275 -2.896 1.00 0.64 H new ATOM 0 HD2 TYR A 112 11.730 -2.649 -1.767 1.00 0.68 H new ATOM 0 HE1 TYR A 112 16.294 -0.844 -1.492 1.00 0.67 H new ATOM 0 HE2 TYR A 112 13.403 -3.761 -0.372 1.00 0.75 H new ATOM 0 HH TYR A 112 15.535 -3.795 0.351 1.00 0.69 H new ATOM 1680 N THR A 113 10.467 -1.487 -6.065 1.00 0.38 N ATOM 1681 CA THR A 113 9.277 -1.489 -6.874 1.00 0.46 C ATOM 1682 C THR A 113 8.100 -2.045 -6.084 1.00 0.51 C ATOM 1683 O THR A 113 8.158 -3.158 -5.561 1.00 0.83 O ATOM 1684 CB THR A 113 9.509 -2.332 -8.137 1.00 0.62 C ATOM 1685 OG1 THR A 113 10.629 -1.806 -8.865 1.00 0.66 O ATOM 1686 CG2 THR A 113 8.274 -2.350 -9.029 1.00 0.74 C ATOM 0 H THR A 113 10.876 -2.411 -5.924 1.00 0.38 H new ATOM 0 HA THR A 113 9.047 -0.464 -7.165 1.00 0.46 H new ATOM 0 HB THR A 113 9.715 -3.357 -7.830 1.00 0.62 H new ATOM 0 HG1 THR A 113 10.778 -2.345 -9.670 1.00 0.66 H new ATOM 0 HG21 THR A 113 8.473 -2.955 -9.913 1.00 0.74 H new ATOM 0 HG22 THR A 113 7.434 -2.775 -8.479 1.00 0.74 H new ATOM 0 HG23 THR A 113 8.030 -1.332 -9.333 1.00 0.74 H new ATOM 1694 N LEU A 114 7.057 -1.247 -5.965 1.00 0.34 N ATOM 1695 CA LEU A 114 5.843 -1.671 -5.300 1.00 0.38 C ATOM 1696 C LEU A 114 4.633 -1.218 -6.104 1.00 0.40 C ATOM 1697 O LEU A 114 4.444 -0.029 -6.357 1.00 0.47 O ATOM 1698 CB LEU A 114 5.789 -1.136 -3.861 1.00 0.43 C ATOM 1699 CG LEU A 114 6.298 0.296 -3.663 1.00 0.41 C ATOM 1700 CD1 LEU A 114 5.529 0.982 -2.547 1.00 0.51 C ATOM 1701 CD2 LEU A 114 7.791 0.301 -3.352 1.00 0.41 C ATOM 0 H LEU A 114 7.028 -0.293 -6.324 1.00 0.34 H new ATOM 0 HA LEU A 114 5.833 -2.759 -5.241 1.00 0.38 H new ATOM 0 HB2 LEU A 114 4.757 -1.186 -3.513 1.00 0.43 H new ATOM 0 HB3 LEU A 114 6.373 -1.800 -3.224 1.00 0.43 H new ATOM 0 HG LEU A 114 6.137 0.845 -4.591 1.00 0.41 H new ATOM 0 HD11 LEU A 114 5.902 1.998 -2.419 1.00 0.51 H new ATOM 0 HD12 LEU A 114 4.470 1.014 -2.802 1.00 0.51 H new ATOM 0 HD13 LEU A 114 5.662 0.427 -1.619 1.00 0.51 H new ATOM 0 HD21 LEU A 114 8.131 1.328 -3.215 1.00 0.41 H new ATOM 0 HD22 LEU A 114 7.975 -0.266 -2.440 1.00 0.41 H new ATOM 0 HD23 LEU A 114 8.336 -0.155 -4.179 1.00 0.41 H new ATOM 1713 N THR A 115 3.820 -2.174 -6.504 1.00 0.42 N ATOM 1714 CA THR A 115 2.696 -1.908 -7.375 1.00 0.45 C ATOM 1715 C THR A 115 1.403 -2.126 -6.607 1.00 0.44 C ATOM 1716 O THR A 115 1.214 -3.162 -5.972 1.00 0.47 O ATOM 1717 CB THR A 115 2.726 -2.818 -8.620 1.00 0.49 C ATOM 1718 OG1 THR A 115 4.055 -2.869 -9.157 1.00 0.56 O ATOM 1719 CG2 THR A 115 1.770 -2.305 -9.687 1.00 0.59 C ATOM 0 H THR A 115 3.920 -3.153 -6.235 1.00 0.42 H new ATOM 0 HA THR A 115 2.757 -0.874 -7.714 1.00 0.45 H new ATOM 0 HB THR A 115 2.413 -3.818 -8.319 1.00 0.49 H new ATOM 0 HG1 THR A 115 4.067 -3.450 -9.946 1.00 0.56 H new ATOM 0 HG21 THR A 115 1.808 -2.962 -10.556 1.00 0.59 H new ATOM 0 HG22 THR A 115 0.755 -2.288 -9.289 1.00 0.59 H new ATOM 0 HG23 THR A 115 2.061 -1.297 -9.982 1.00 0.59 H new ATOM 1727 N LEU A 116 0.525 -1.145 -6.645 1.00 0.45 N ATOM 1728 CA LEU A 116 -0.678 -1.182 -5.843 1.00 0.47 C ATOM 1729 C LEU A 116 -1.912 -1.093 -6.728 1.00 0.48 C ATOM 1730 O LEU A 116 -2.097 -0.122 -7.464 1.00 0.63 O ATOM 1731 CB LEU A 116 -0.666 -0.046 -4.811 1.00 0.54 C ATOM 1732 CG LEU A 116 0.408 -0.146 -3.712 1.00 0.61 C ATOM 1733 CD1 LEU A 116 0.441 -1.537 -3.100 1.00 1.27 C ATOM 1734 CD2 LEU A 116 1.781 0.245 -4.239 1.00 1.05 C ATOM 0 H LEU A 116 0.623 -0.311 -7.224 1.00 0.45 H new ATOM 0 HA LEU A 116 -0.711 -2.131 -5.309 1.00 0.47 H new ATOM 0 HB2 LEU A 116 -0.530 0.897 -5.340 1.00 0.54 H new ATOM 0 HB3 LEU A 116 -1.645 -0.005 -4.333 1.00 0.54 H new ATOM 0 HG LEU A 116 0.138 0.561 -2.928 1.00 0.61 H new ATOM 0 HD11 LEU A 116 1.209 -1.577 -2.328 1.00 1.27 H new ATOM 0 HD12 LEU A 116 -0.530 -1.763 -2.659 1.00 1.27 H new ATOM 0 HD13 LEU A 116 0.667 -2.270 -3.874 1.00 1.27 H new ATOM 0 HD21 LEU A 116 2.515 0.163 -3.438 1.00 1.05 H new ATOM 0 HD22 LEU A 116 2.060 -0.420 -5.056 1.00 1.05 H new ATOM 0 HD23 LEU A 116 1.753 1.273 -4.601 1.00 1.05 H new ATOM 1746 N THR A 117 -2.747 -2.117 -6.666 1.00 0.44 N ATOM 1747 CA THR A 117 -3.944 -2.176 -7.483 1.00 0.48 C ATOM 1748 C THR A 117 -5.146 -1.641 -6.713 1.00 0.58 C ATOM 1749 O THR A 117 -5.525 -2.186 -5.670 1.00 0.70 O ATOM 1750 CB THR A 117 -4.220 -3.619 -7.941 1.00 0.53 C ATOM 1751 OG1 THR A 117 -3.042 -4.161 -8.555 1.00 0.56 O ATOM 1752 CG2 THR A 117 -5.378 -3.666 -8.926 1.00 0.57 C ATOM 0 H THR A 117 -2.615 -2.922 -6.054 1.00 0.44 H new ATOM 0 HA THR A 117 -3.781 -1.553 -8.362 1.00 0.48 H new ATOM 0 HB THR A 117 -4.488 -4.213 -7.067 1.00 0.53 H new ATOM 0 HG1 THR A 117 -3.218 -5.080 -8.845 1.00 0.56 H new ATOM 0 HG21 THR A 117 -5.552 -4.697 -9.234 1.00 0.57 H new ATOM 0 HG22 THR A 117 -6.276 -3.273 -8.450 1.00 0.57 H new ATOM 0 HG23 THR A 117 -5.136 -3.062 -9.801 1.00 0.57 H new ATOM 1760 N GLY A 118 -5.729 -0.562 -7.222 1.00 0.63 N ATOM 1761 CA GLY A 118 -6.889 0.022 -6.588 1.00 0.79 C ATOM 1762 C GLY A 118 -8.096 -0.892 -6.643 1.00 0.64 C ATOM 1763 O GLY A 118 -8.269 -1.655 -7.596 1.00 0.80 O ATOM 0 H GLY A 118 -5.415 -0.082 -8.066 1.00 0.63 H new ATOM 0 HA2 GLY A 118 -6.656 0.250 -5.548 1.00 0.79 H new ATOM 0 HA3 GLY A 118 -7.129 0.967 -7.075 1.00 0.79 H new ATOM 1767 N GLY A 119 -8.918 -0.830 -5.613 1.00 0.52 N ATOM 1768 CA GLY A 119 -10.116 -1.630 -5.569 1.00 0.50 C ATOM 1769 C GLY A 119 -10.719 -1.648 -4.188 1.00 0.44 C ATOM 1770 O GLY A 119 -10.019 -1.435 -3.201 1.00 0.53 O ATOM 0 H GLY A 119 -8.774 -0.233 -4.799 1.00 0.52 H new ATOM 0 HA2 GLY A 119 -10.843 -1.237 -6.279 1.00 0.50 H new ATOM 0 HA3 GLY A 119 -9.886 -2.649 -5.880 1.00 0.50 H new ATOM 1774 N TYR A 120 -12.004 -1.925 -4.101 1.00 0.42 N ATOM 1775 CA TYR A 120 -12.675 -1.910 -2.817 1.00 0.41 C ATOM 1776 C TYR A 120 -12.605 -3.276 -2.157 1.00 0.43 C ATOM 1777 O TYR A 120 -11.974 -4.208 -2.675 1.00 0.60 O ATOM 1778 CB TYR A 120 -14.130 -1.442 -2.948 1.00 0.48 C ATOM 1779 CG TYR A 120 -15.007 -2.299 -3.841 1.00 0.55 C ATOM 1780 CD1 TYR A 120 -15.711 -3.378 -3.319 1.00 0.61 C ATOM 1781 CD2 TYR A 120 -15.108 -2.048 -5.211 1.00 0.63 C ATOM 1782 CE1 TYR A 120 -16.491 -4.182 -4.127 1.00 0.71 C ATOM 1783 CE2 TYR A 120 -15.893 -2.848 -6.022 1.00 0.73 C ATOM 1784 CZ TYR A 120 -16.655 -3.824 -5.487 1.00 0.78 C ATOM 1785 OH TYR A 120 -17.357 -4.721 -6.277 1.00 0.89 O ATOM 0 H TYR A 120 -12.600 -2.161 -4.895 1.00 0.42 H new ATOM 0 HA TYR A 120 -12.155 -1.194 -2.181 1.00 0.41 H new ATOM 0 HB2 TYR A 120 -14.575 -1.408 -1.953 1.00 0.48 H new ATOM 0 HB3 TYR A 120 -14.133 -0.422 -3.333 1.00 0.48 H new ATOM 0 HD1 TYR A 120 -15.647 -3.592 -2.262 1.00 0.61 H new ATOM 0 HD2 TYR A 120 -14.567 -1.219 -5.643 1.00 0.63 H new ATOM 0 HE1 TYR A 120 -16.966 -5.066 -3.729 1.00 0.71 H new ATOM 0 HE2 TYR A 120 -15.896 -2.690 -7.090 1.00 0.73 H new ATOM 0 HH TYR A 120 -17.412 -4.377 -7.193 1.00 0.89 H new ATOM 1795 N TRP A 121 -13.248 -3.379 -1.014 1.00 0.39 N ATOM 1796 CA TRP A 121 -13.200 -4.573 -0.206 1.00 0.40 C ATOM 1797 C TRP A 121 -14.572 -4.834 0.427 1.00 0.48 C ATOM 1798 O TRP A 121 -15.348 -3.900 0.660 1.00 0.53 O ATOM 1799 CB TRP A 121 -12.093 -4.399 0.850 1.00 0.43 C ATOM 1800 CG TRP A 121 -12.236 -5.263 2.056 1.00 0.42 C ATOM 1801 CD1 TRP A 121 -13.167 -5.119 3.022 1.00 0.51 C ATOM 1802 CD2 TRP A 121 -11.423 -6.371 2.448 1.00 0.42 C ATOM 1803 NE1 TRP A 121 -13.018 -6.079 3.972 1.00 0.56 N ATOM 1804 CE2 TRP A 121 -11.951 -6.852 3.653 1.00 0.49 C ATOM 1805 CE3 TRP A 121 -10.312 -7.012 1.907 1.00 0.45 C ATOM 1806 CZ2 TRP A 121 -11.416 -7.934 4.319 1.00 0.53 C ATOM 1807 CZ3 TRP A 121 -9.779 -8.091 2.581 1.00 0.49 C ATOM 1808 CH2 TRP A 121 -10.331 -8.538 3.774 1.00 0.51 C ATOM 0 H TRP A 121 -13.820 -2.633 -0.620 1.00 0.39 H new ATOM 0 HA TRP A 121 -12.963 -5.445 -0.816 1.00 0.40 H new ATOM 0 HB2 TRP A 121 -11.130 -4.607 0.384 1.00 0.43 H new ATOM 0 HB3 TRP A 121 -12.075 -3.357 1.168 1.00 0.43 H new ATOM 0 HD1 TRP A 121 -13.924 -4.349 3.038 1.00 0.51 H new ATOM 0 HE1 TRP A 121 -13.613 -6.199 4.792 1.00 0.56 H new ATOM 0 HE3 TRP A 121 -9.877 -6.672 0.979 1.00 0.45 H new ATOM 0 HZ2 TRP A 121 -11.847 -8.289 5.244 1.00 0.53 H new ATOM 0 HZ3 TRP A 121 -8.917 -8.597 2.173 1.00 0.49 H new ATOM 0 HH2 TRP A 121 -9.887 -9.384 4.278 1.00 0.51 H new ATOM 1819 N ALA A 122 -14.859 -6.101 0.690 1.00 0.57 N ATOM 1820 CA ALA A 122 -16.101 -6.509 1.309 1.00 0.73 C ATOM 1821 C ALA A 122 -15.845 -7.396 2.540 1.00 0.90 C ATOM 1822 O ALA A 122 -14.907 -8.199 2.561 1.00 1.42 O ATOM 1823 CB ALA A 122 -16.972 -7.240 0.300 1.00 0.94 C ATOM 0 H ALA A 122 -14.230 -6.875 0.477 1.00 0.57 H new ATOM 0 HA ALA A 122 -16.623 -5.614 1.646 1.00 0.73 H new ATOM 0 HB1 ALA A 122 -17.905 -7.543 0.776 1.00 0.94 H new ATOM 0 HB2 ALA A 122 -17.191 -6.579 -0.538 1.00 0.94 H new ATOM 0 HB3 ALA A 122 -16.446 -8.123 -0.062 1.00 0.94 H new ATOM 1829 N LYS A 123 -16.697 -7.230 3.546 1.00 0.84 N ATOM 1830 CA LYS A 123 -16.649 -7.980 4.808 1.00 0.97 C ATOM 1831 C LYS A 123 -15.406 -7.625 5.639 1.00 0.83 C ATOM 1832 O LYS A 123 -14.964 -6.481 5.617 1.00 0.86 O ATOM 1833 CB LYS A 123 -16.768 -9.488 4.567 1.00 1.10 C ATOM 1834 CG LYS A 123 -17.236 -10.231 5.807 1.00 1.83 C ATOM 1835 CD LYS A 123 -17.850 -11.577 5.482 1.00 1.97 C ATOM 1836 CE LYS A 123 -18.341 -12.265 6.745 1.00 2.89 C ATOM 1837 NZ LYS A 123 -19.248 -11.392 7.538 1.00 3.47 N ATOM 0 H LYS A 123 -17.461 -6.555 3.511 1.00 0.84 H new ATOM 0 HA LYS A 123 -17.515 -7.679 5.398 1.00 0.97 H new ATOM 0 HB2 LYS A 123 -17.467 -9.670 3.751 1.00 1.10 H new ATOM 0 HB3 LYS A 123 -15.801 -9.882 4.253 1.00 1.10 H new ATOM 0 HG2 LYS A 123 -16.391 -10.374 6.481 1.00 1.83 H new ATOM 0 HG3 LYS A 123 -17.967 -9.621 6.338 1.00 1.83 H new ATOM 0 HD2 LYS A 123 -18.680 -11.445 4.788 1.00 1.97 H new ATOM 0 HD3 LYS A 123 -17.114 -12.207 4.982 1.00 1.97 H new ATOM 0 HE2 LYS A 123 -18.864 -13.183 6.478 1.00 2.89 H new ATOM 0 HE3 LYS A 123 -17.486 -12.551 7.358 1.00 2.89 H new ATOM 0 HZ1 LYS A 123 -19.731 -11.960 8.263 1.00 3.47 H new ATOM 0 HZ2 LYS A 123 -18.693 -10.642 7.998 1.00 3.47 H new ATOM 0 HZ3 LYS A 123 -19.955 -10.962 6.908 1.00 3.47 H new ATOM 1851 N ASP A 124 -14.864 -8.580 6.402 1.00 0.82 N ATOM 1852 CA ASP A 124 -13.769 -8.280 7.331 1.00 0.81 C ATOM 1853 C ASP A 124 -12.703 -9.369 7.350 1.00 0.71 C ATOM 1854 O ASP A 124 -12.981 -10.518 7.681 1.00 0.74 O ATOM 1855 CB ASP A 124 -14.298 -8.087 8.755 1.00 1.07 C ATOM 1856 CG ASP A 124 -15.174 -6.864 8.907 1.00 1.65 C ATOM 1857 OD1 ASP A 124 -16.392 -6.961 8.636 1.00 2.02 O ATOM 1858 OD2 ASP A 124 -14.656 -5.804 9.317 1.00 2.08 O ATOM 0 H ASP A 124 -15.161 -9.556 6.396 1.00 0.82 H new ATOM 0 HA ASP A 124 -13.313 -7.358 6.971 1.00 0.81 H new ATOM 0 HB2 ASP A 124 -14.866 -8.970 9.047 1.00 1.07 H new ATOM 0 HB3 ASP A 124 -13.455 -8.009 9.441 1.00 1.07 H new ATOM 1863 N ASN A 125 -11.490 -8.963 6.973 1.00 0.70 N ATOM 1864 CA ASN A 125 -10.260 -9.782 6.996 1.00 0.73 C ATOM 1865 C ASN A 125 -10.404 -11.206 6.432 1.00 0.73 C ATOM 1866 O ASN A 125 -9.515 -12.038 6.615 1.00 0.91 O ATOM 1867 CB ASN A 125 -9.701 -9.848 8.411 1.00 0.87 C ATOM 1868 CG ASN A 125 -8.229 -9.485 8.468 1.00 1.71 C ATOM 1869 OD1 ASN A 125 -7.873 -8.325 8.677 1.00 2.47 O ATOM 1870 ND2 ASN A 125 -7.364 -10.467 8.275 1.00 2.40 N ATOM 0 H ASN A 125 -11.322 -8.018 6.628 1.00 0.70 H new ATOM 0 HA ASN A 125 -9.572 -9.271 6.322 1.00 0.73 H new ATOM 0 HB2 ASN A 125 -10.265 -9.171 9.053 1.00 0.87 H new ATOM 0 HB3 ASN A 125 -9.840 -10.854 8.807 1.00 0.87 H new ATOM 0 HD21 ASN A 125 -6.362 -10.276 8.296 1.00 2.40 H new ATOM 0 HD22 ASN A 125 -7.699 -11.415 8.105 1.00 2.40 H new ATOM 1877 N LYS A 126 -11.488 -11.489 5.730 1.00 0.66 N ATOM 1878 CA LYS A 126 -11.653 -12.787 5.085 1.00 0.76 C ATOM 1879 C LYS A 126 -11.132 -12.724 3.659 1.00 0.76 C ATOM 1880 O LYS A 126 -11.152 -13.709 2.922 1.00 1.09 O ATOM 1881 CB LYS A 126 -13.116 -13.250 5.136 1.00 0.84 C ATOM 1882 CG LYS A 126 -14.135 -12.284 4.540 1.00 0.82 C ATOM 1883 CD LYS A 126 -14.133 -12.312 3.020 1.00 0.88 C ATOM 1884 CE LYS A 126 -15.493 -11.954 2.453 1.00 1.39 C ATOM 1885 NZ LYS A 126 -16.440 -13.101 2.531 1.00 1.96 N ATOM 0 H LYS A 126 -12.265 -10.843 5.591 1.00 0.66 H new ATOM 0 HA LYS A 126 -11.068 -13.528 5.630 1.00 0.76 H new ATOM 0 HB2 LYS A 126 -13.195 -14.202 4.612 1.00 0.84 H new ATOM 0 HB3 LYS A 126 -13.383 -13.436 6.176 1.00 0.84 H new ATOM 0 HG2 LYS A 126 -15.130 -12.538 4.905 1.00 0.82 H new ATOM 0 HG3 LYS A 126 -13.918 -11.272 4.883 1.00 0.82 H new ATOM 0 HD2 LYS A 126 -13.386 -11.613 2.644 1.00 0.88 H new ATOM 0 HD3 LYS A 126 -13.844 -13.304 2.674 1.00 0.88 H new ATOM 0 HE2 LYS A 126 -15.903 -11.105 3.000 1.00 1.39 H new ATOM 0 HE3 LYS A 126 -15.384 -11.642 1.414 1.00 1.39 H new ATOM 0 HZ1 LYS A 126 -17.417 -12.747 2.497 1.00 1.96 H new ATOM 0 HZ2 LYS A 126 -16.276 -13.742 1.729 1.00 1.96 H new ATOM 0 HZ3 LYS A 126 -16.289 -13.616 3.422 1.00 1.96 H new ATOM 1899 N GLN A 127 -10.691 -11.527 3.289 1.00 0.63 N ATOM 1900 CA GLN A 127 -10.197 -11.226 1.953 1.00 0.64 C ATOM 1901 C GLN A 127 -11.319 -11.165 0.935 1.00 0.63 C ATOM 1902 O GLN A 127 -11.293 -11.852 -0.084 1.00 0.91 O ATOM 1903 CB GLN A 127 -9.096 -12.186 1.507 1.00 0.79 C ATOM 1904 CG GLN A 127 -7.738 -11.824 2.080 1.00 1.28 C ATOM 1905 CD GLN A 127 -6.625 -12.722 1.574 1.00 1.41 C ATOM 1906 OE1 GLN A 127 -5.648 -12.978 2.276 1.00 2.02 O ATOM 1907 NE2 GLN A 127 -6.762 -13.205 0.350 1.00 1.62 N ATOM 0 H GLN A 127 -10.667 -10.726 3.920 1.00 0.63 H new ATOM 0 HA GLN A 127 -9.750 -10.234 2.010 1.00 0.64 H new ATOM 0 HB2 GLN A 127 -9.357 -13.199 1.813 1.00 0.79 H new ATOM 0 HB3 GLN A 127 -9.038 -12.186 0.419 1.00 0.79 H new ATOM 0 HG2 GLN A 127 -7.507 -10.789 1.827 1.00 1.28 H new ATOM 0 HG3 GLN A 127 -7.780 -11.884 3.168 1.00 1.28 H new ATOM 0 HE21 GLN A 127 -7.587 -12.970 -0.202 1.00 1.62 H new ATOM 0 HE22 GLN A 127 -6.043 -13.813 -0.042 1.00 1.62 H new ATOM 1916 N GLY A 128 -12.314 -10.338 1.228 1.00 0.50 N ATOM 1917 CA GLY A 128 -13.267 -9.962 0.224 1.00 0.50 C ATOM 1918 C GLY A 128 -12.771 -8.726 -0.478 1.00 0.45 C ATOM 1919 O GLY A 128 -12.966 -7.630 0.006 1.00 0.77 O ATOM 0 H GLY A 128 -12.471 -9.925 2.147 1.00 0.50 H new ATOM 0 HA2 GLY A 128 -13.402 -10.774 -0.491 1.00 0.50 H new ATOM 0 HA3 GLY A 128 -14.239 -9.773 0.679 1.00 0.50 H new ATOM 1923 N PHE A 129 -12.071 -8.883 -1.579 1.00 0.61 N ATOM 1924 CA PHE A 129 -11.456 -7.736 -2.220 1.00 0.63 C ATOM 1925 C PHE A 129 -11.689 -7.766 -3.725 1.00 0.58 C ATOM 1926 O PHE A 129 -11.546 -8.803 -4.368 1.00 0.63 O ATOM 1927 CB PHE A 129 -9.953 -7.685 -1.897 1.00 0.72 C ATOM 1928 CG PHE A 129 -9.168 -8.888 -2.353 1.00 0.77 C ATOM 1929 CD1 PHE A 129 -9.071 -10.015 -1.549 1.00 1.02 C ATOM 1930 CD2 PHE A 129 -8.535 -8.895 -3.586 1.00 0.75 C ATOM 1931 CE1 PHE A 129 -8.358 -11.122 -1.967 1.00 1.21 C ATOM 1932 CE2 PHE A 129 -7.821 -9.999 -4.008 1.00 0.89 C ATOM 1933 CZ PHE A 129 -7.708 -11.101 -3.190 1.00 1.14 C ATOM 0 H PHE A 129 -11.913 -9.776 -2.045 1.00 0.61 H new ATOM 0 HA PHE A 129 -11.922 -6.832 -1.829 1.00 0.63 H new ATOM 0 HB2 PHE A 129 -9.527 -6.794 -2.358 1.00 0.72 H new ATOM 0 HB3 PHE A 129 -9.831 -7.576 -0.819 1.00 0.72 H new ATOM 0 HD1 PHE A 129 -9.559 -10.027 -0.585 1.00 1.02 H new ATOM 0 HD2 PHE A 129 -8.601 -8.026 -4.224 1.00 0.75 H new ATOM 0 HE1 PHE A 129 -8.308 -12.001 -1.342 1.00 1.21 H new ATOM 0 HE2 PHE A 129 -7.351 -9.998 -4.980 1.00 0.89 H new ATOM 0 HZ PHE A 129 -7.114 -11.947 -3.501 1.00 1.14 H new ATOM 1943 N THR A 130 -12.059 -6.626 -4.278 1.00 0.61 N ATOM 1944 CA THR A 130 -12.300 -6.513 -5.705 1.00 0.63 C ATOM 1945 C THR A 130 -11.290 -5.556 -6.337 1.00 0.60 C ATOM 1946 O THR A 130 -10.984 -4.510 -5.762 1.00 0.67 O ATOM 1947 CB THR A 130 -13.735 -6.008 -5.970 1.00 0.73 C ATOM 1948 OG1 THR A 130 -14.664 -6.762 -5.179 1.00 1.47 O ATOM 1949 CG2 THR A 130 -14.105 -6.137 -7.441 1.00 0.90 C ATOM 0 H THR A 130 -12.200 -5.760 -3.757 1.00 0.61 H new ATOM 0 HA THR A 130 -12.185 -7.500 -6.153 1.00 0.63 H new ATOM 0 HB THR A 130 -13.778 -4.954 -5.696 1.00 0.73 H new ATOM 0 HG1 THR A 130 -15.311 -6.153 -4.766 1.00 1.47 H new ATOM 0 HG21 THR A 130 -15.121 -5.773 -7.594 1.00 0.90 H new ATOM 0 HG22 THR A 130 -13.414 -5.547 -8.043 1.00 0.90 H new ATOM 0 HG23 THR A 130 -14.045 -7.183 -7.741 1.00 0.90 H new ATOM 1957 N PRO A 131 -10.705 -5.931 -7.485 1.00 0.63 N ATOM 1958 CA PRO A 131 -9.857 -5.039 -8.271 1.00 0.65 C ATOM 1959 C PRO A 131 -10.697 -4.059 -9.085 1.00 0.63 C ATOM 1960 O PRO A 131 -11.324 -4.438 -10.075 1.00 0.75 O ATOM 1961 CB PRO A 131 -9.078 -5.986 -9.203 1.00 0.80 C ATOM 1962 CG PRO A 131 -9.480 -7.375 -8.813 1.00 0.92 C ATOM 1963 CD PRO A 131 -10.798 -7.256 -8.102 1.00 0.75 C ATOM 0 HA PRO A 131 -9.205 -4.430 -7.645 1.00 0.65 H new ATOM 0 HB2 PRO A 131 -9.318 -5.789 -10.248 1.00 0.80 H new ATOM 0 HB3 PRO A 131 -8.003 -5.845 -9.091 1.00 0.80 H new ATOM 0 HG2 PRO A 131 -9.570 -8.014 -9.692 1.00 0.92 H new ATOM 0 HG3 PRO A 131 -8.730 -7.828 -8.165 1.00 0.92 H new ATOM 0 HD2 PRO A 131 -11.639 -7.325 -8.792 1.00 0.75 H new ATOM 0 HD3 PRO A 131 -10.931 -8.042 -7.358 1.00 0.75 H new ATOM 1971 N SER A 132 -10.723 -2.809 -8.654 1.00 0.55 N ATOM 1972 CA SER A 132 -11.568 -1.806 -9.280 1.00 0.57 C ATOM 1973 C SER A 132 -10.894 -0.440 -9.231 1.00 0.56 C ATOM 1974 O SER A 132 -10.906 0.238 -8.202 1.00 0.73 O ATOM 1975 CB SER A 132 -12.928 -1.746 -8.573 1.00 0.64 C ATOM 1976 OG SER A 132 -13.545 -3.024 -8.535 1.00 1.52 O ATOM 0 H SER A 132 -10.167 -2.464 -7.871 1.00 0.55 H new ATOM 0 HA SER A 132 -11.723 -2.083 -10.323 1.00 0.57 H new ATOM 0 HB2 SER A 132 -12.796 -1.373 -7.557 1.00 0.64 H new ATOM 0 HB3 SER A 132 -13.579 -1.041 -9.090 1.00 0.64 H new ATOM 0 HG SER A 132 -14.134 -3.080 -7.754 1.00 1.52 H new ATOM 1982 N GLY A 133 -10.276 -0.052 -10.333 1.00 0.54 N ATOM 1983 CA GLY A 133 -9.642 1.243 -10.397 1.00 0.57 C ATOM 1984 C GLY A 133 -8.338 1.214 -11.159 1.00 0.62 C ATOM 1985 O GLY A 133 -8.206 0.509 -12.161 1.00 1.17 O ATOM 0 H GLY A 133 -10.203 -0.611 -11.183 1.00 0.54 H new ATOM 0 HA2 GLY A 133 -10.320 1.952 -10.871 1.00 0.57 H new ATOM 0 HA3 GLY A 133 -9.459 1.604 -9.385 1.00 0.57 H new ATOM 1989 N THR A 134 -7.372 1.967 -10.671 1.00 0.62 N ATOM 1990 CA THR A 134 -6.101 2.119 -11.347 1.00 0.97 C ATOM 1991 C THR A 134 -5.039 1.224 -10.715 1.00 0.68 C ATOM 1992 O THR A 134 -5.029 1.024 -9.498 1.00 0.95 O ATOM 1993 CB THR A 134 -5.631 3.583 -11.266 1.00 1.77 C ATOM 1994 OG1 THR A 134 -6.755 4.461 -11.429 1.00 2.38 O ATOM 1995 CG2 THR A 134 -4.593 3.888 -12.333 1.00 2.47 C ATOM 0 H THR A 134 -7.446 2.489 -9.798 1.00 0.62 H new ATOM 0 HA THR A 134 -6.238 1.830 -12.389 1.00 0.97 H new ATOM 0 HB THR A 134 -5.175 3.739 -10.288 1.00 1.77 H new ATOM 0 HG1 THR A 134 -6.471 5.387 -11.280 1.00 2.38 H new ATOM 0 HG21 THR A 134 -4.281 4.929 -12.250 1.00 2.47 H new ATOM 0 HG22 THR A 134 -3.729 3.238 -12.196 1.00 2.47 H new ATOM 0 HG23 THR A 134 -5.024 3.716 -13.319 1.00 2.47 H new ATOM 2003 N THR A 135 -4.161 0.673 -11.538 1.00 0.72 N ATOM 2004 CA THR A 135 -3.016 -0.057 -11.035 1.00 0.70 C ATOM 2005 C THR A 135 -1.817 0.881 -10.964 1.00 0.64 C ATOM 2006 O THR A 135 -1.124 1.103 -11.959 1.00 0.88 O ATOM 2007 CB THR A 135 -2.680 -1.267 -11.929 1.00 1.08 C ATOM 2008 OG1 THR A 135 -3.859 -2.051 -12.151 1.00 1.82 O ATOM 2009 CG2 THR A 135 -1.610 -2.137 -11.286 1.00 1.27 C ATOM 0 H THR A 135 -4.222 0.719 -12.555 1.00 0.72 H new ATOM 0 HA THR A 135 -3.257 -0.435 -10.041 1.00 0.70 H new ATOM 0 HB THR A 135 -2.301 -0.892 -12.880 1.00 1.08 H new ATOM 0 HG1 THR A 135 -3.640 -2.817 -12.721 1.00 1.82 H new ATOM 0 HG21 THR A 135 -1.391 -2.984 -11.936 1.00 1.27 H new ATOM 0 HG22 THR A 135 -0.704 -1.549 -11.137 1.00 1.27 H new ATOM 0 HG23 THR A 135 -1.968 -2.502 -10.323 1.00 1.27 H new ATOM 2017 N GLY A 136 -1.589 1.443 -9.790 1.00 0.52 N ATOM 2018 CA GLY A 136 -0.534 2.417 -9.629 1.00 0.58 C ATOM 2019 C GLY A 136 0.746 1.789 -9.147 1.00 0.45 C ATOM 2020 O GLY A 136 0.730 0.724 -8.536 1.00 0.67 O ATOM 0 H GLY A 136 -2.118 1.241 -8.942 1.00 0.52 H new ATOM 0 HA2 GLY A 136 -0.356 2.919 -10.580 1.00 0.58 H new ATOM 0 HA3 GLY A 136 -0.852 3.182 -8.920 1.00 0.58 H new ATOM 2024 N THR A 137 1.858 2.431 -9.428 1.00 0.38 N ATOM 2025 CA THR A 137 3.145 1.916 -9.017 1.00 0.33 C ATOM 2026 C THR A 137 3.902 2.953 -8.201 1.00 0.33 C ATOM 2027 O THR A 137 4.251 4.019 -8.709 1.00 0.39 O ATOM 2028 CB THR A 137 3.993 1.506 -10.235 1.00 0.42 C ATOM 2029 OG1 THR A 137 3.221 0.666 -11.103 1.00 0.58 O ATOM 2030 CG2 THR A 137 5.251 0.768 -9.798 1.00 0.50 C ATOM 0 H THR A 137 1.897 3.312 -9.940 1.00 0.38 H new ATOM 0 HA THR A 137 2.964 1.035 -8.401 1.00 0.33 H new ATOM 0 HB THR A 137 4.289 2.411 -10.766 1.00 0.42 H new ATOM 0 HG1 THR A 137 3.764 0.409 -11.877 1.00 0.58 H new ATOM 0 HG21 THR A 137 5.833 0.489 -10.676 1.00 0.50 H new ATOM 0 HG22 THR A 137 5.849 1.416 -9.157 1.00 0.50 H new ATOM 0 HG23 THR A 137 4.973 -0.130 -9.247 1.00 0.50 H new ATOM 2038 N THR A 138 4.128 2.656 -6.936 1.00 0.32 N ATOM 2039 CA THR A 138 4.970 3.501 -6.119 1.00 0.36 C ATOM 2040 C THR A 138 6.404 3.008 -6.245 1.00 0.37 C ATOM 2041 O THR A 138 6.699 1.852 -5.972 1.00 0.38 O ATOM 2042 CB THR A 138 4.528 3.502 -4.639 1.00 0.39 C ATOM 2043 OG1 THR A 138 3.097 3.547 -4.565 1.00 0.40 O ATOM 2044 CG2 THR A 138 5.105 4.705 -3.907 1.00 0.52 C ATOM 0 H THR A 138 3.743 1.842 -6.457 1.00 0.32 H new ATOM 0 HA THR A 138 4.886 4.529 -6.471 1.00 0.36 H new ATOM 0 HB THR A 138 4.897 2.591 -4.167 1.00 0.39 H new ATOM 0 HG1 THR A 138 2.818 3.546 -3.626 1.00 0.40 H new ATOM 0 HG21 THR A 138 4.782 4.687 -2.866 1.00 0.52 H new ATOM 0 HG22 THR A 138 6.194 4.669 -3.950 1.00 0.52 H new ATOM 0 HG23 THR A 138 4.753 5.622 -4.380 1.00 0.52 H new ATOM 2052 N LYS A 139 7.285 3.858 -6.722 1.00 0.41 N ATOM 2053 CA LYS A 139 8.655 3.450 -6.953 1.00 0.44 C ATOM 2054 C LYS A 139 9.595 4.247 -6.082 1.00 0.44 C ATOM 2055 O LYS A 139 9.809 5.441 -6.286 1.00 0.49 O ATOM 2056 CB LYS A 139 8.985 3.597 -8.435 1.00 0.53 C ATOM 2057 CG LYS A 139 10.410 3.223 -8.807 1.00 0.59 C ATOM 2058 CD LYS A 139 10.555 3.067 -10.313 1.00 1.21 C ATOM 2059 CE LYS A 139 10.109 4.320 -11.052 1.00 1.33 C ATOM 2060 NZ LYS A 139 10.002 4.088 -12.514 1.00 2.18 N ATOM 0 H LYS A 139 7.081 4.830 -6.957 1.00 0.41 H new ATOM 0 HA LYS A 139 8.779 2.402 -6.681 1.00 0.44 H new ATOM 0 HB2 LYS A 139 8.299 2.975 -9.010 1.00 0.53 H new ATOM 0 HB3 LYS A 139 8.805 4.630 -8.733 1.00 0.53 H new ATOM 0 HG2 LYS A 139 11.097 3.990 -8.449 1.00 0.59 H new ATOM 0 HG3 LYS A 139 10.687 2.292 -8.313 1.00 0.59 H new ATOM 0 HD2 LYS A 139 11.595 2.850 -10.558 1.00 1.21 H new ATOM 0 HD3 LYS A 139 9.964 2.216 -10.650 1.00 1.21 H new ATOM 0 HE2 LYS A 139 9.144 4.647 -10.664 1.00 1.33 H new ATOM 0 HE3 LYS A 139 10.818 5.126 -10.863 1.00 1.33 H new ATOM 0 HZ1 LYS A 139 9.696 4.964 -12.983 1.00 2.18 H new ATOM 0 HZ2 LYS A 139 10.929 3.800 -12.889 1.00 2.18 H new ATOM 0 HZ3 LYS A 139 9.307 3.337 -12.696 1.00 2.18 H new ATOM 2074 N LEU A 140 10.148 3.559 -5.107 1.00 0.45 N ATOM 2075 CA LEU A 140 10.956 4.181 -4.085 1.00 0.44 C ATOM 2076 C LEU A 140 12.444 3.962 -4.351 1.00 0.39 C ATOM 2077 O LEU A 140 12.975 2.864 -4.165 1.00 0.40 O ATOM 2078 CB LEU A 140 10.558 3.627 -2.715 1.00 0.46 C ATOM 2079 CG LEU A 140 11.544 3.925 -1.592 1.00 0.53 C ATOM 2080 CD1 LEU A 140 11.615 5.420 -1.314 1.00 0.63 C ATOM 2081 CD2 LEU A 140 11.171 3.160 -0.332 1.00 0.62 C ATOM 0 H LEU A 140 10.049 2.549 -5.002 1.00 0.45 H new ATOM 0 HA LEU A 140 10.779 5.256 -4.100 1.00 0.44 H new ATOM 0 HB2 LEU A 140 9.585 4.036 -2.443 1.00 0.46 H new ATOM 0 HB3 LEU A 140 10.438 2.547 -2.797 1.00 0.46 H new ATOM 0 HG LEU A 140 12.532 3.594 -1.912 1.00 0.53 H new ATOM 0 HD11 LEU A 140 12.325 5.607 -0.509 1.00 0.63 H new ATOM 0 HD12 LEU A 140 11.941 5.942 -2.214 1.00 0.63 H new ATOM 0 HD13 LEU A 140 10.630 5.783 -1.020 1.00 0.63 H new ATOM 0 HD21 LEU A 140 11.888 3.387 0.457 1.00 0.62 H new ATOM 0 HD22 LEU A 140 10.172 3.454 -0.010 1.00 0.62 H new ATOM 0 HD23 LEU A 140 11.186 2.090 -0.538 1.00 0.62 H new ATOM 2093 N THR A 141 13.103 5.016 -4.790 1.00 0.39 N ATOM 2094 CA THR A 141 14.521 4.981 -5.073 1.00 0.38 C ATOM 2095 C THR A 141 15.276 5.705 -3.961 1.00 0.34 C ATOM 2096 O THR A 141 14.778 6.683 -3.408 1.00 0.40 O ATOM 2097 CB THR A 141 14.822 5.652 -6.428 1.00 0.48 C ATOM 2098 OG1 THR A 141 13.868 5.220 -7.412 1.00 0.58 O ATOM 2099 CG2 THR A 141 16.226 5.312 -6.903 1.00 0.54 C ATOM 0 H THR A 141 12.667 5.922 -4.960 1.00 0.39 H new ATOM 0 HA THR A 141 14.845 3.941 -5.123 1.00 0.38 H new ATOM 0 HB THR A 141 14.750 6.731 -6.295 1.00 0.48 H new ATOM 0 HG1 THR A 141 13.858 4.241 -7.450 1.00 0.58 H new ATOM 0 HG21 THR A 141 16.414 5.797 -7.861 1.00 0.54 H new ATOM 0 HG22 THR A 141 16.953 5.662 -6.170 1.00 0.54 H new ATOM 0 HG23 THR A 141 16.319 4.232 -7.019 1.00 0.54 H new ATOM 2107 N VAL A 142 16.453 5.214 -3.606 1.00 0.44 N ATOM 2108 CA VAL A 142 17.236 5.852 -2.557 1.00 0.57 C ATOM 2109 C VAL A 142 18.152 6.925 -3.133 1.00 0.77 C ATOM 2110 O VAL A 142 18.879 6.691 -4.104 1.00 1.10 O ATOM 2111 CB VAL A 142 18.055 4.827 -1.737 1.00 0.80 C ATOM 2112 CG1 VAL A 142 18.988 4.021 -2.631 1.00 1.69 C ATOM 2113 CG2 VAL A 142 18.839 5.516 -0.628 1.00 1.74 C ATOM 0 H VAL A 142 16.883 4.388 -4.021 1.00 0.44 H new ATOM 0 HA VAL A 142 16.527 6.326 -1.878 1.00 0.57 H new ATOM 0 HB VAL A 142 17.349 4.135 -1.278 1.00 0.80 H new ATOM 0 HG11 VAL A 142 19.549 3.310 -2.024 1.00 1.69 H new ATOM 0 HG12 VAL A 142 18.402 3.481 -3.375 1.00 1.69 H new ATOM 0 HG13 VAL A 142 19.681 4.695 -3.135 1.00 1.69 H new ATOM 0 HG21 VAL A 142 19.406 4.773 -0.067 1.00 1.74 H new ATOM 0 HG22 VAL A 142 19.525 6.242 -1.064 1.00 1.74 H new ATOM 0 HG23 VAL A 142 18.148 6.027 0.042 1.00 1.74 H new ATOM 2123 N THR A 143 18.083 8.108 -2.550 1.00 0.85 N ATOM 2124 CA THR A 143 18.922 9.219 -2.954 1.00 1.18 C ATOM 2125 C THR A 143 19.523 9.895 -1.726 1.00 1.82 C ATOM 2126 O THR A 143 20.699 9.624 -1.406 1.00 2.22 O ATOM 2127 CB THR A 143 18.129 10.256 -3.777 1.00 1.54 C ATOM 2128 OG1 THR A 143 16.931 10.619 -3.077 1.00 2.04 O ATOM 2129 CG2 THR A 143 17.772 9.714 -5.154 1.00 1.94 C ATOM 2130 OXT THR A 143 18.806 10.672 -1.065 1.00 2.58 O ATOM 0 H THR A 143 17.445 8.324 -1.785 1.00 0.85 H new ATOM 0 HA THR A 143 19.719 8.821 -3.582 1.00 1.18 H new ATOM 0 HB THR A 143 18.760 11.135 -3.910 1.00 1.54 H new ATOM 0 HG1 THR A 143 17.134 10.752 -2.128 1.00 2.04 H new ATOM 0 HG21 THR A 143 17.214 10.468 -5.709 1.00 1.94 H new ATOM 0 HG22 THR A 143 18.685 9.467 -5.696 1.00 1.94 H new ATOM 0 HG23 THR A 143 17.161 8.818 -5.045 1.00 1.94 H new