USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 947 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 113 SER OG : rot -98:sc= -3.29! USER MOD Set 1.2: A 116 HIS : no HD1:sc= -10.3! C(o=-14!,f=-24!) USER MOD Set 2.1: A 31 SER OG : rot 102:sc= 1.13 USER MOD Set 2.2: A 108 TYR OH : rot 180:sc= 0.242 USER MOD Set 3.1: A 55 HIS : no HE2:sc= -7.25! C(o=-7.3!,f=-7.6!) USER MOD Set 3.2: A 75 THR OG1 : rot 180:sc= -0.0178 USER MOD Single : A 26 LYS NZ :NH3+ 160:sc= -1.31 (180deg=-2.2!) USER MOD Single : A 29 TYR OH : rot -106:sc= 0.776 USER MOD Single : A 30 CYS SG : rot -24:sc= -0.607 USER MOD Single : A 35 HIS : no HE2:sc= -12.1! C(o=-12!,f=-17!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -160:sc= -2.9! USER MOD Single : A 52 SER OG : rot -69:sc= 0.92 USER MOD Single : A 54 GLN : amide:sc= -2.41! X(o=-2.4!,f=-2.6) USER MOD Single : A 57 GLN : amide:sc= -3.04! C(o=-3!,f=-5.5!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 150:sc= -0.265 USER MOD Single : A 71 LYS NZ :NH3+ -107:sc= -2! (180deg=-5!) USER MOD Single : A 72 SER OG : rot 68:sc= -0.174 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN :FLIP amide:sc= 0.531 F(o=-1.7,f=0.53) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -175:sc= -3.84! (180deg=-4.4!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0931 USER MOD Single : A 88 TYR OH : rot 180:sc= -2.15! USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 69:sc= 0.918 USER MOD Single : A 94 ASN :FLIP amide:sc= -1.94 F(o=-4.9!,f=-1.9) USER MOD Single : A 97 CYS SG : rot -53:sc= -10.2! USER MOD Single : A 106 ASN : amide:sc= -0.145 K(o=-0.15,f=-2.4!) USER MOD Single : A 107 HIS :FLIP no HD1:sc= -3.66! C(o=-4.8!,f=-3.7!) USER MOD Single : A 109 ASN :FLIP amide:sc= -1.46 F(o=-3.5,f=-1.5) USER MOD Single : A 110 THR OG1 : rot 52:sc= -0.0564 USER MOD Single : A 111 TYR OH : rot 15:sc= -4.44! USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 152:sc= -0.0918 (180deg=-0.67) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -0.676 X(o=-0.68,f=-0.18) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.24) USER MOD Single : A 130 SER OG : rot 60:sc= 0.993 USER MOD Single : A 131 CYS SG : rot -70:sc= -0.879 USER MOD Single : A 132 LYS NZ :NH3+ 161:sc= -0.626 (180deg=-1.73!) USER MOD Single : A 137 THR OG1 : rot -9:sc= -1.2! USER MOD Single : A 138 HIS : no HD1:sc= -2.12 K(o=-2.1,f=-3.9!) USER MOD Single : A 139 TYR OH : rot 180:sc= -1.23 USER MOD ----------------------------------------------------------------- ATOM 37 N LYS A 26 -7.996 -7.513 10.111 1.00 0.00 N ATOM 38 CA LYS A 26 -7.303 -7.433 8.836 1.00 0.00 C ATOM 39 C LYS A 26 -6.097 -6.502 8.976 1.00 0.00 C ATOM 40 O LYS A 26 -6.187 -5.454 9.614 1.00 0.00 O ATOM 41 CB LYS A 26 -8.270 -7.023 7.724 1.00 0.00 C ATOM 42 CG LYS A 26 -7.560 -6.184 6.660 1.00 0.00 C ATOM 43 CD LYS A 26 -6.545 -7.027 5.885 1.00 0.00 C ATOM 44 CE LYS A 26 -5.288 -6.215 5.567 1.00 0.00 C ATOM 45 NZ LYS A 26 -5.375 -5.637 4.207 1.00 0.00 N ATOM 0 HA LYS A 26 -6.921 -8.412 8.548 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.699 -7.913 7.264 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.097 -6.454 8.148 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.294 -5.767 5.970 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.054 -5.343 7.133 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.276 -7.907 6.469 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.995 -7.385 4.959 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.168 -5.418 6.300 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.407 -6.853 5.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.713 -4.839 4.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.130 -6.364 3.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.344 -5.301 4.034 1.00 0.00 H new ATOM 59 N LEU A 27 -4.995 -6.917 8.368 1.00 0.00 N ATOM 60 CA LEU A 27 -3.773 -6.134 8.416 1.00 0.00 C ATOM 61 C LEU A 27 -2.777 -6.686 7.394 1.00 0.00 C ATOM 62 O LEU A 27 -2.326 -7.824 7.514 1.00 0.00 O ATOM 63 CB LEU A 27 -3.224 -6.083 9.843 1.00 0.00 C ATOM 64 CG LEU A 27 -2.241 -7.192 10.224 1.00 0.00 C ATOM 65 CD1 LEU A 27 -0.846 -6.902 9.669 1.00 0.00 C ATOM 66 CD2 LEU A 27 -2.222 -7.411 11.738 1.00 0.00 C ATOM 0 H LEU A 27 -4.924 -7.786 7.839 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.974 -5.099 8.139 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.730 -5.122 9.987 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.065 -6.116 10.536 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.581 -8.122 9.769 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.167 -7.705 9.954 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.893 -6.835 8.582 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.482 -5.958 10.075 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.515 -8.204 11.982 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.919 -6.490 12.235 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.218 -7.695 12.077 1.00 0.00 H new ATOM 78 N LEU A 28 -2.464 -5.855 6.411 1.00 0.00 N ATOM 79 CA LEU A 28 -1.530 -6.246 5.369 1.00 0.00 C ATOM 80 C LEU A 28 -0.132 -6.398 5.973 1.00 0.00 C ATOM 81 O LEU A 28 0.036 -6.306 7.188 1.00 0.00 O ATOM 82 CB LEU A 28 -1.590 -5.263 4.198 1.00 0.00 C ATOM 83 CG LEU A 28 -1.935 -5.865 2.834 1.00 0.00 C ATOM 84 CD1 LEU A 28 -1.936 -4.790 1.746 1.00 0.00 C ATOM 85 CD2 LEU A 28 -0.996 -7.024 2.494 1.00 0.00 C ATOM 0 H LEU A 28 -2.841 -4.912 6.314 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.806 -7.216 4.955 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.328 -4.495 4.431 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.624 -4.764 4.119 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.945 -6.273 2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.184 -5.244 0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.676 -4.027 1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.949 -4.332 1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.262 -7.434 1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.032 -6.663 2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.088 -7.801 3.253 1.00 0.00 H new ATOM 97 N TYR A 29 0.834 -6.628 5.097 1.00 0.00 N ATOM 98 CA TYR A 29 2.212 -6.794 5.529 1.00 0.00 C ATOM 99 C TYR A 29 3.132 -7.063 4.336 1.00 0.00 C ATOM 100 O TYR A 29 2.695 -7.600 3.320 1.00 0.00 O ATOM 101 CB TYR A 29 2.221 -8.014 6.451 1.00 0.00 C ATOM 102 CG TYR A 29 3.592 -8.681 6.587 1.00 0.00 C ATOM 103 CD1 TYR A 29 4.654 -7.974 7.113 1.00 0.00 C ATOM 104 CD2 TYR A 29 3.766 -9.989 6.184 1.00 0.00 C ATOM 105 CE1 TYR A 29 5.943 -8.601 7.241 1.00 0.00 C ATOM 106 CE2 TYR A 29 5.055 -10.617 6.312 1.00 0.00 C ATOM 107 CZ TYR A 29 6.081 -9.892 6.834 1.00 0.00 C ATOM 108 OH TYR A 29 7.299 -10.484 6.955 1.00 0.00 O ATOM 0 H TYR A 29 0.691 -6.703 4.090 1.00 0.00 H new ATOM 0 HA TYR A 29 2.570 -5.892 6.026 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.876 -7.712 7.440 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.508 -8.747 6.074 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.518 -6.950 7.429 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.935 -10.542 5.772 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.782 -8.059 7.651 1.00 0.00 H new ATOM 0 HE2 TYR A 29 5.204 -11.640 6.001 1.00 0.00 H new ATOM 0 HH TYR A 29 7.714 -10.563 6.071 1.00 0.00 H new ATOM 118 N CYS A 30 4.389 -6.678 4.501 1.00 0.00 N ATOM 119 CA CYS A 30 5.374 -6.871 3.450 1.00 0.00 C ATOM 120 C CYS A 30 5.793 -8.343 3.449 1.00 0.00 C ATOM 121 O CYS A 30 5.650 -9.034 4.457 1.00 0.00 O ATOM 122 CB CYS A 30 6.574 -5.937 3.621 1.00 0.00 C ATOM 123 SG CYS A 30 6.093 -4.220 3.211 1.00 0.00 S ATOM 0 H CYS A 30 4.748 -6.234 5.346 1.00 0.00 H new ATOM 0 HA CYS A 30 4.934 -6.618 2.485 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.940 -5.986 4.646 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.391 -6.259 2.975 1.00 0.00 H new ATOM 0 HG CYS A 30 5.069 -4.236 2.410 1.00 0.00 H new ATOM 129 N SER A 31 6.301 -8.780 2.306 1.00 0.00 N ATOM 130 CA SER A 31 6.742 -10.157 2.161 1.00 0.00 C ATOM 131 C SER A 31 8.032 -10.380 2.951 1.00 0.00 C ATOM 132 O SER A 31 8.008 -10.449 4.179 1.00 0.00 O ATOM 133 CB SER A 31 6.952 -10.515 0.688 1.00 0.00 C ATOM 134 OG SER A 31 7.578 -11.786 0.532 1.00 0.00 O ATOM 0 H SER A 31 6.417 -8.205 1.472 1.00 0.00 H new ATOM 0 HA SER A 31 5.964 -10.809 2.558 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.990 -10.519 0.175 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.564 -9.749 0.212 1.00 0.00 H new ATOM 0 HG SER A 31 6.905 -12.454 0.282 1.00 0.00 H new ATOM 168 N HIS A 35 7.970 -4.615 6.031 1.00 0.00 N ATOM 169 CA HIS A 35 7.253 -3.829 7.021 1.00 0.00 C ATOM 170 C HIS A 35 5.746 -4.006 6.823 1.00 0.00 C ATOM 171 O HIS A 35 5.314 -4.685 5.893 1.00 0.00 O ATOM 172 CB HIS A 35 7.689 -2.364 6.971 1.00 0.00 C ATOM 173 CG HIS A 35 9.185 -2.166 7.028 1.00 0.00 C ATOM 174 ND1 HIS A 35 10.065 -2.866 6.222 1.00 0.00 N ATOM 175 CD2 HIS A 35 9.946 -1.341 7.803 1.00 0.00 C ATOM 176 CE1 HIS A 35 11.298 -2.472 6.507 1.00 0.00 C ATOM 177 NE2 HIS A 35 11.222 -1.527 7.487 1.00 0.00 N ATOM 0 HA HIS A 35 7.498 -4.186 8.021 1.00 0.00 H new ATOM 0 HB2 HIS A 35 7.308 -1.913 6.055 1.00 0.00 H new ATOM 0 HB3 HIS A 35 7.230 -1.830 7.803 1.00 0.00 H new ATOM 0 HD1 HIS A 35 9.808 -3.567 5.526 1.00 0.00 H new ATOM 0 HD2 HIS A 35 9.574 -0.653 8.548 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.204 -2.836 6.044 1.00 0.00 H new ATOM 185 N PHE A 36 4.988 -3.384 7.713 1.00 0.00 N ATOM 186 CA PHE A 36 3.538 -3.464 7.648 1.00 0.00 C ATOM 187 C PHE A 36 2.924 -2.085 7.395 1.00 0.00 C ATOM 188 O PHE A 36 2.864 -1.253 8.299 1.00 0.00 O ATOM 189 CB PHE A 36 3.058 -3.982 9.005 1.00 0.00 C ATOM 190 CG PHE A 36 3.396 -5.451 9.265 1.00 0.00 C ATOM 191 CD1 PHE A 36 4.688 -5.828 9.459 1.00 0.00 C ATOM 192 CD2 PHE A 36 2.404 -6.381 9.302 1.00 0.00 C ATOM 193 CE1 PHE A 36 5.002 -7.191 9.700 1.00 0.00 C ATOM 194 CE2 PHE A 36 2.718 -7.745 9.544 1.00 0.00 C ATOM 195 CZ PHE A 36 4.010 -8.121 9.737 1.00 0.00 C ATOM 0 H PHE A 36 5.350 -2.822 8.483 1.00 0.00 H new ATOM 0 HA PHE A 36 3.237 -4.121 6.832 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.502 -3.373 9.793 1.00 0.00 H new ATOM 0 HB3 PHE A 36 1.978 -3.851 9.071 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.476 -5.090 9.430 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.378 -6.082 9.147 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.028 -7.490 9.854 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.930 -8.483 9.575 1.00 0.00 H new ATOM 0 HZ PHE A 36 4.249 -9.158 9.920 1.00 0.00 H new ATOM 205 N LEU A 37 2.482 -1.887 6.162 1.00 0.00 N ATOM 206 CA LEU A 37 1.874 -0.624 5.779 1.00 0.00 C ATOM 207 C LEU A 37 1.083 -0.064 6.963 1.00 0.00 C ATOM 208 O LEU A 37 0.557 -0.822 7.776 1.00 0.00 O ATOM 209 CB LEU A 37 1.040 -0.794 4.507 1.00 0.00 C ATOM 210 CG LEU A 37 1.473 0.046 3.304 1.00 0.00 C ATOM 211 CD1 LEU A 37 0.824 -0.466 2.017 1.00 0.00 C ATOM 212 CD2 LEU A 37 1.185 1.530 3.540 1.00 0.00 C ATOM 0 H LEU A 37 2.533 -2.580 5.415 1.00 0.00 H new ATOM 0 HA LEU A 37 2.642 0.109 5.533 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.064 -1.845 4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.003 -0.551 4.741 1.00 0.00 H new ATOM 0 HG LEU A 37 2.551 -0.058 3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.148 0.148 1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.121 -1.501 1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.261 -0.411 2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.502 2.105 2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.116 1.672 3.699 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.731 1.871 4.419 1.00 0.00 H new ATOM 224 N ARG A 38 1.024 1.258 7.021 1.00 0.00 N ATOM 225 CA ARG A 38 0.306 1.929 8.092 1.00 0.00 C ATOM 226 C ARG A 38 -0.270 3.256 7.595 1.00 0.00 C ATOM 227 O ARG A 38 0.433 4.044 6.964 1.00 0.00 O ATOM 228 CB ARG A 38 1.223 2.194 9.288 1.00 0.00 C ATOM 229 CG ARG A 38 2.589 2.707 8.829 1.00 0.00 C ATOM 230 CD ARG A 38 3.720 1.999 9.577 1.00 0.00 C ATOM 231 NE ARG A 38 3.648 2.314 11.021 1.00 0.00 N ATOM 232 CZ ARG A 38 4.210 3.393 11.583 1.00 0.00 C ATOM 233 NH1 ARG A 38 4.889 4.266 10.826 1.00 0.00 N ATOM 234 NH2 ARG A 38 4.092 3.599 12.902 1.00 0.00 N ATOM 0 H ARG A 38 1.462 1.883 6.344 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.505 1.274 8.409 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.760 2.925 9.951 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.350 1.277 9.864 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.700 2.546 7.757 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.653 3.782 8.998 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.647 0.922 9.428 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.684 2.312 9.176 1.00 0.00 H new ATOM 0 HE ARG A 38 3.139 1.670 11.626 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.978 4.109 9.822 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.317 5.087 11.254 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.575 2.935 13.478 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.520 4.420 13.330 1.00 0.00 H new ATOM 248 N ILE A 39 -1.543 3.463 7.899 1.00 0.00 N ATOM 249 CA ILE A 39 -2.221 4.682 7.491 1.00 0.00 C ATOM 250 C ILE A 39 -2.509 5.538 8.726 1.00 0.00 C ATOM 251 O ILE A 39 -3.321 5.163 9.570 1.00 0.00 O ATOM 252 CB ILE A 39 -3.467 4.351 6.668 1.00 0.00 C ATOM 253 CG1 ILE A 39 -3.367 4.941 5.260 1.00 0.00 C ATOM 254 CG2 ILE A 39 -4.737 4.805 7.390 1.00 0.00 C ATOM 255 CD1 ILE A 39 -4.282 4.196 4.286 1.00 0.00 C ATOM 0 H ILE A 39 -2.123 2.807 8.423 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.581 5.273 6.835 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.527 3.268 6.560 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.638 5.996 5.284 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.336 4.885 4.911 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.608 4.558 6.784 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.809 4.298 8.352 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.700 5.883 7.549 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.191 4.636 3.293 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.992 3.146 4.246 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.315 4.275 4.625 1.00 0.00 H new ATOM 267 N LEU A 40 -1.827 6.672 8.792 1.00 0.00 N ATOM 268 CA LEU A 40 -1.999 7.585 9.910 1.00 0.00 C ATOM 269 C LEU A 40 -3.178 8.517 9.625 1.00 0.00 C ATOM 270 O LEU A 40 -3.382 8.935 8.486 1.00 0.00 O ATOM 271 CB LEU A 40 -0.691 8.321 10.207 1.00 0.00 C ATOM 272 CG LEU A 40 0.595 7.537 9.940 1.00 0.00 C ATOM 273 CD1 LEU A 40 1.760 8.482 9.639 1.00 0.00 C ATOM 274 CD2 LEU A 40 0.911 6.590 11.100 1.00 0.00 C ATOM 0 H LEU A 40 -1.154 6.980 8.090 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.241 7.033 10.819 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.667 9.233 9.611 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.697 8.624 11.254 1.00 0.00 H new ATOM 0 HG LEU A 40 0.442 6.921 9.054 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.662 7.899 9.453 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.526 9.079 8.758 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.923 9.141 10.491 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.830 6.045 10.885 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.037 7.167 12.016 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.091 5.883 11.226 1.00 0.00 H new ATOM 286 N PRO A 41 -3.944 8.823 10.706 1.00 0.00 N ATOM 287 CA PRO A 41 -5.097 9.698 10.583 1.00 0.00 C ATOM 288 C PRO A 41 -4.665 11.158 10.433 1.00 0.00 C ATOM 289 O PRO A 41 -5.497 12.063 10.474 1.00 0.00 O ATOM 290 CB PRO A 41 -5.917 9.448 11.839 1.00 0.00 C ATOM 291 CG PRO A 41 -4.969 8.794 12.832 1.00 0.00 C ATOM 292 CD PRO A 41 -3.732 8.346 12.070 1.00 0.00 C ATOM 0 HA PRO A 41 -5.687 9.492 9.690 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.317 10.381 12.237 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.768 8.801 11.627 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.698 9.496 13.620 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.449 7.943 13.314 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.826 8.771 12.502 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.621 7.262 12.098 1.00 0.00 H new ATOM 300 N ASP A 42 -3.364 11.341 10.261 1.00 0.00 N ATOM 301 CA ASP A 42 -2.811 12.676 10.105 1.00 0.00 C ATOM 302 C ASP A 42 -2.707 13.008 8.615 1.00 0.00 C ATOM 303 O ASP A 42 -2.787 14.173 8.228 1.00 0.00 O ATOM 304 CB ASP A 42 -1.407 12.765 10.708 1.00 0.00 C ATOM 305 CG ASP A 42 -1.075 14.099 11.379 1.00 0.00 C ATOM 306 OD1 ASP A 42 -0.955 15.095 10.633 1.00 0.00 O ATOM 307 OD2 ASP A 42 -0.948 14.093 12.622 1.00 0.00 O ATOM 0 H ASP A 42 -2.677 10.588 10.226 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.469 13.376 10.619 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.292 11.968 11.442 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.677 12.580 9.920 1.00 0.00 H new ATOM 312 N GLY A 43 -2.531 11.964 7.819 1.00 0.00 N ATOM 313 CA GLY A 43 -2.415 12.131 6.380 1.00 0.00 C ATOM 314 C GLY A 43 -1.035 11.691 5.886 1.00 0.00 C ATOM 315 O GLY A 43 -0.622 12.053 4.785 1.00 0.00 O ATOM 0 H GLY A 43 -2.466 10.999 8.143 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.187 11.547 5.879 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.583 13.175 6.117 1.00 0.00 H new ATOM 319 N THR A 44 -0.361 10.918 6.724 1.00 0.00 N ATOM 320 CA THR A 44 0.964 10.426 6.387 1.00 0.00 C ATOM 321 C THR A 44 0.990 8.897 6.422 1.00 0.00 C ATOM 322 O THR A 44 0.481 8.286 7.360 1.00 0.00 O ATOM 323 CB THR A 44 1.967 11.073 7.344 1.00 0.00 C ATOM 324 OG1 THR A 44 2.328 12.291 6.698 1.00 0.00 O ATOM 325 CG2 THR A 44 3.281 10.293 7.431 1.00 0.00 C ATOM 0 H THR A 44 -0.707 10.620 7.636 1.00 0.00 H new ATOM 0 HA THR A 44 1.241 10.701 5.369 1.00 0.00 H new ATOM 0 HB THR A 44 1.524 11.149 8.337 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.975 12.776 7.252 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.957 10.795 8.123 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.081 9.282 7.787 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.742 10.245 6.444 1.00 0.00 H new ATOM 333 N VAL A 45 1.588 8.323 5.389 1.00 0.00 N ATOM 334 CA VAL A 45 1.687 6.877 5.290 1.00 0.00 C ATOM 335 C VAL A 45 3.138 6.452 5.525 1.00 0.00 C ATOM 336 O VAL A 45 4.043 7.285 5.511 1.00 0.00 O ATOM 337 CB VAL A 45 1.137 6.406 3.942 1.00 0.00 C ATOM 338 CG1 VAL A 45 1.159 7.539 2.914 1.00 0.00 C ATOM 339 CG2 VAL A 45 1.907 5.187 3.431 1.00 0.00 C ATOM 0 H VAL A 45 2.009 8.833 4.613 1.00 0.00 H new ATOM 0 HA VAL A 45 1.080 6.399 6.059 1.00 0.00 H new ATOM 0 HB VAL A 45 0.099 6.108 4.090 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.763 7.177 1.965 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.546 8.366 3.271 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.184 7.882 2.772 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.496 4.873 2.472 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.958 5.446 3.308 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.816 4.372 4.149 1.00 0.00 H new ATOM 349 N ASP A 46 3.315 5.156 5.734 1.00 0.00 N ATOM 350 CA ASP A 46 4.640 4.610 5.972 1.00 0.00 C ATOM 351 C ASP A 46 4.542 3.091 6.128 1.00 0.00 C ATOM 352 O ASP A 46 3.537 2.489 5.753 1.00 0.00 O ATOM 353 CB ASP A 46 5.249 5.179 7.255 1.00 0.00 C ATOM 354 CG ASP A 46 4.407 6.252 7.949 1.00 0.00 C ATOM 355 OD1 ASP A 46 3.222 5.960 8.215 1.00 0.00 O ATOM 356 OD2 ASP A 46 4.969 7.341 8.197 1.00 0.00 O ATOM 0 H ASP A 46 2.562 4.468 5.743 1.00 0.00 H new ATOM 0 HA ASP A 46 5.271 4.877 5.124 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.416 4.360 7.955 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.226 5.601 7.020 1.00 0.00 H new ATOM 361 N GLY A 47 5.598 2.516 6.683 1.00 0.00 N ATOM 362 CA GLY A 47 5.643 1.079 6.894 1.00 0.00 C ATOM 363 C GLY A 47 6.446 0.733 8.150 1.00 0.00 C ATOM 364 O GLY A 47 7.578 1.186 8.311 1.00 0.00 O ATOM 0 H GLY A 47 6.429 3.019 6.993 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.629 0.690 6.988 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.091 0.595 6.027 1.00 0.00 H new ATOM 368 N THR A 48 5.828 -0.066 9.007 1.00 0.00 N ATOM 369 CA THR A 48 6.471 -0.477 10.244 1.00 0.00 C ATOM 370 C THR A 48 7.076 -1.874 10.091 1.00 0.00 C ATOM 371 O THR A 48 6.375 -2.822 9.741 1.00 0.00 O ATOM 372 CB THR A 48 5.438 -0.381 11.368 1.00 0.00 C ATOM 373 OG1 THR A 48 5.557 0.960 11.836 1.00 0.00 O ATOM 374 CG2 THR A 48 5.813 -1.234 12.582 1.00 0.00 C ATOM 0 H THR A 48 4.889 -0.440 8.870 1.00 0.00 H new ATOM 0 HA THR A 48 7.305 0.178 10.494 1.00 0.00 H new ATOM 0 HB THR A 48 4.463 -0.692 10.992 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.179 1.027 12.738 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.047 -1.130 13.350 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.887 -2.280 12.283 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.772 -0.901 12.978 1.00 0.00 H new ATOM 382 N ARG A 49 8.370 -1.957 10.363 1.00 0.00 N ATOM 383 CA ARG A 49 9.077 -3.222 10.260 1.00 0.00 C ATOM 384 C ARG A 49 8.190 -4.367 10.754 1.00 0.00 C ATOM 385 O ARG A 49 7.991 -5.352 10.046 1.00 0.00 O ATOM 386 CB ARG A 49 10.370 -3.198 11.078 1.00 0.00 C ATOM 387 CG ARG A 49 10.101 -2.751 12.516 1.00 0.00 C ATOM 388 CD ARG A 49 11.365 -2.174 13.157 1.00 0.00 C ATOM 389 NE ARG A 49 11.015 -1.430 14.387 1.00 0.00 N ATOM 390 CZ ARG A 49 10.636 -0.145 14.405 1.00 0.00 C ATOM 391 NH1 ARG A 49 10.556 0.547 13.260 1.00 0.00 N ATOM 392 NH2 ARG A 49 10.337 0.449 15.569 1.00 0.00 N ATOM 0 H ARG A 49 8.947 -1.168 10.655 1.00 0.00 H new ATOM 0 HA ARG A 49 9.327 -3.378 9.211 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.821 -4.190 11.080 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.087 -2.522 10.612 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.310 -2.002 12.525 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.745 -3.598 13.103 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.062 -2.978 13.394 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.870 -1.512 12.453 1.00 0.00 H new ATOM 0 HE ARG A 49 11.065 -1.926 15.277 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.784 0.095 12.374 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.267 1.525 13.274 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.398 -0.077 16.441 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.048 1.427 15.583 1.00 0.00 H new ATOM 406 N ASP A 50 7.681 -4.198 11.966 1.00 0.00 N ATOM 407 CA ASP A 50 6.820 -5.205 12.562 1.00 0.00 C ATOM 408 C ASP A 50 5.564 -4.531 13.119 1.00 0.00 C ATOM 409 O ASP A 50 5.623 -3.849 14.141 1.00 0.00 O ATOM 410 CB ASP A 50 7.525 -5.919 13.717 1.00 0.00 C ATOM 411 CG ASP A 50 8.464 -7.052 13.300 1.00 0.00 C ATOM 412 OD1 ASP A 50 8.758 -7.129 12.087 1.00 0.00 O ATOM 413 OD2 ASP A 50 8.868 -7.817 14.203 1.00 0.00 O ATOM 0 H ASP A 50 7.848 -3.379 12.551 1.00 0.00 H new ATOM 0 HA ASP A 50 6.566 -5.932 11.790 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.096 -5.184 14.284 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.769 -6.323 14.390 1.00 0.00 H new ATOM 418 N ARG A 51 4.458 -4.746 12.423 1.00 0.00 N ATOM 419 CA ARG A 51 3.190 -4.168 12.836 1.00 0.00 C ATOM 420 C ARG A 51 3.204 -3.876 14.337 1.00 0.00 C ATOM 421 O ARG A 51 3.214 -4.797 15.152 1.00 0.00 O ATOM 422 CB ARG A 51 2.026 -5.108 12.516 1.00 0.00 C ATOM 423 CG ARG A 51 2.517 -6.546 12.336 1.00 0.00 C ATOM 424 CD ARG A 51 3.238 -7.041 13.591 1.00 0.00 C ATOM 425 NE ARG A 51 2.299 -7.078 14.734 1.00 0.00 N ATOM 426 CZ ARG A 51 2.657 -7.366 15.992 1.00 0.00 C ATOM 427 NH1 ARG A 51 3.937 -7.644 16.277 1.00 0.00 N ATOM 428 NH2 ARG A 51 1.737 -7.376 16.966 1.00 0.00 N ATOM 0 H ARG A 51 4.413 -5.312 11.576 1.00 0.00 H new ATOM 0 HA ARG A 51 3.053 -3.239 12.283 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.291 -5.069 13.320 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.524 -4.775 11.608 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.671 -7.198 12.117 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.190 -6.600 11.481 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.649 -8.035 13.416 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.077 -6.385 13.821 1.00 0.00 H new ATOM 0 HE ARG A 51 1.317 -6.871 14.552 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.638 -7.636 15.536 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.210 -7.863 17.235 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.763 -7.164 16.750 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.011 -7.595 17.924 1.00 0.00 H new ATOM 442 N SER A 52 3.202 -2.590 14.658 1.00 0.00 N ATOM 443 CA SER A 52 3.214 -2.165 16.047 1.00 0.00 C ATOM 444 C SER A 52 2.762 -0.707 16.152 1.00 0.00 C ATOM 445 O SER A 52 3.512 0.147 16.622 1.00 0.00 O ATOM 446 CB SER A 52 4.604 -2.335 16.663 1.00 0.00 C ATOM 447 OG SER A 52 4.839 -1.405 17.717 1.00 0.00 O ATOM 0 H SER A 52 3.192 -1.829 13.979 1.00 0.00 H new ATOM 0 HA SER A 52 2.520 -2.795 16.603 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.709 -3.350 17.045 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.361 -2.205 15.890 1.00 0.00 H new ATOM 0 HG SER A 52 4.919 -0.502 17.345 1.00 0.00 H new ATOM 453 N ASP A 53 1.537 -0.468 15.707 1.00 0.00 N ATOM 454 CA ASP A 53 0.976 0.872 15.746 1.00 0.00 C ATOM 455 C ASP A 53 -0.461 0.804 16.267 1.00 0.00 C ATOM 456 O ASP A 53 -0.897 -0.235 16.762 1.00 0.00 O ATOM 457 CB ASP A 53 0.943 1.495 14.349 1.00 0.00 C ATOM 458 CG ASP A 53 1.395 2.956 14.282 1.00 0.00 C ATOM 459 OD1 ASP A 53 2.297 3.307 15.072 1.00 0.00 O ATOM 460 OD2 ASP A 53 0.828 3.687 13.442 1.00 0.00 O ATOM 0 H ASP A 53 0.918 -1.179 15.318 1.00 0.00 H new ATOM 0 HA ASP A 53 1.602 1.481 16.399 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.577 0.903 13.689 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.073 1.426 13.961 1.00 0.00 H new ATOM 465 N GLN A 54 -1.157 1.923 16.138 1.00 0.00 N ATOM 466 CA GLN A 54 -2.536 2.004 16.589 1.00 0.00 C ATOM 467 C GLN A 54 -3.480 1.466 15.512 1.00 0.00 C ATOM 468 O GLN A 54 -4.467 0.800 15.822 1.00 0.00 O ATOM 469 CB GLN A 54 -2.904 3.438 16.975 1.00 0.00 C ATOM 470 CG GLN A 54 -2.282 4.443 16.004 1.00 0.00 C ATOM 471 CD GLN A 54 -0.936 4.949 16.525 1.00 0.00 C ATOM 472 OE1 GLN A 54 -0.774 5.273 17.691 1.00 0.00 O ATOM 473 NE2 GLN A 54 0.019 4.998 15.600 1.00 0.00 N ATOM 0 H GLN A 54 -0.792 2.782 15.727 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.643 1.385 17.480 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.988 3.551 16.977 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -2.560 3.645 17.988 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.146 3.975 15.029 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.960 5.284 15.862 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.184 4.712 14.642 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.954 5.321 15.849 1.00 0.00 H new ATOM 482 N HIS A 55 -3.144 1.776 14.268 1.00 0.00 N ATOM 483 CA HIS A 55 -3.949 1.332 13.143 1.00 0.00 C ATOM 484 C HIS A 55 -3.082 1.270 11.884 1.00 0.00 C ATOM 485 O HIS A 55 -2.812 2.296 11.261 1.00 0.00 O ATOM 486 CB HIS A 55 -5.180 2.224 12.971 1.00 0.00 C ATOM 487 CG HIS A 55 -4.975 3.649 13.426 1.00 0.00 C ATOM 488 ND1 HIS A 55 -3.778 4.324 13.260 1.00 0.00 N ATOM 489 CD2 HIS A 55 -5.826 4.520 14.041 1.00 0.00 C ATOM 490 CE1 HIS A 55 -3.914 5.544 13.757 1.00 0.00 C ATOM 491 NE2 HIS A 55 -5.183 5.664 14.241 1.00 0.00 N ATOM 0 H HIS A 55 -2.325 2.329 14.015 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.324 0.326 13.334 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.470 2.227 11.920 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.010 1.791 13.529 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -2.935 3.946 12.828 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -6.849 4.314 14.318 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -3.153 6.310 13.776 1.00 0.00 H new ATOM 499 N ILE A 56 -2.670 0.057 11.547 1.00 0.00 N ATOM 500 CA ILE A 56 -1.838 -0.152 10.374 1.00 0.00 C ATOM 501 C ILE A 56 -2.546 -1.115 9.418 1.00 0.00 C ATOM 502 O ILE A 56 -1.981 -1.511 8.400 1.00 0.00 O ATOM 503 CB ILE A 56 -0.438 -0.612 10.784 1.00 0.00 C ATOM 504 CG1 ILE A 56 -0.438 -2.092 11.170 1.00 0.00 C ATOM 505 CG2 ILE A 56 0.124 0.271 11.900 1.00 0.00 C ATOM 506 CD1 ILE A 56 -0.505 -2.983 9.927 1.00 0.00 C ATOM 0 H ILE A 56 -2.897 -0.791 12.066 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.695 0.785 9.837 1.00 0.00 H new ATOM 0 HB ILE A 56 0.222 -0.504 9.924 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.462 -2.323 11.739 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.288 -2.302 11.819 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.120 -0.077 12.173 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.183 1.303 11.553 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.530 0.218 12.770 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.504 -4.030 10.229 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.418 -2.767 9.373 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.359 -2.788 9.292 1.00 0.00 H new ATOM 518 N GLN A 57 -3.772 -1.464 9.781 1.00 0.00 N ATOM 519 CA GLN A 57 -4.562 -2.373 8.968 1.00 0.00 C ATOM 520 C GLN A 57 -4.782 -1.784 7.573 1.00 0.00 C ATOM 521 O GLN A 57 -4.482 -0.615 7.335 1.00 0.00 O ATOM 522 CB GLN A 57 -5.897 -2.693 9.644 1.00 0.00 C ATOM 523 CG GLN A 57 -5.676 -3.334 11.016 1.00 0.00 C ATOM 524 CD GLN A 57 -6.996 -3.838 11.604 1.00 0.00 C ATOM 525 OE1 GLN A 57 -7.897 -4.262 10.900 1.00 0.00 O ATOM 526 NE2 GLN A 57 -7.059 -3.769 12.931 1.00 0.00 N ATOM 0 H GLN A 57 -4.237 -1.134 10.627 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.011 -3.308 8.864 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.481 -1.779 9.755 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.476 -3.367 9.013 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.974 -4.163 10.925 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.226 -2.608 11.693 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -6.268 -3.403 13.461 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -7.898 -4.082 13.419 1.00 0.00 H new ATOM 535 N LEU A 58 -5.304 -2.620 6.688 1.00 0.00 N ATOM 536 CA LEU A 58 -5.567 -2.196 5.323 1.00 0.00 C ATOM 537 C LEU A 58 -6.708 -3.035 4.744 1.00 0.00 C ATOM 538 O LEU A 58 -7.209 -3.946 5.402 1.00 0.00 O ATOM 539 CB LEU A 58 -4.284 -2.245 4.490 1.00 0.00 C ATOM 540 CG LEU A 58 -3.347 -1.044 4.632 1.00 0.00 C ATOM 541 CD1 LEU A 58 -2.181 -1.140 3.646 1.00 0.00 C ATOM 542 CD2 LEU A 58 -4.115 0.271 4.486 1.00 0.00 C ATOM 0 H LEU A 58 -5.552 -3.589 6.889 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.893 -1.156 5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.732 -3.145 4.761 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.559 -2.344 3.440 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.922 -1.058 5.636 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.530 -0.274 3.767 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.614 -2.051 3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.567 -1.164 2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.426 1.109 4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.586 0.310 3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.881 0.333 5.259 1.00 0.00 H new ATOM 554 N GLN A 59 -7.086 -2.698 3.520 1.00 0.00 N ATOM 555 CA GLN A 59 -8.158 -3.409 2.845 1.00 0.00 C ATOM 556 C GLN A 59 -8.181 -3.049 1.358 1.00 0.00 C ATOM 557 O GLN A 59 -8.390 -1.891 1.000 1.00 0.00 O ATOM 558 CB GLN A 59 -9.509 -3.115 3.501 1.00 0.00 C ATOM 559 CG GLN A 59 -10.601 -4.027 2.940 1.00 0.00 C ATOM 560 CD GLN A 59 -11.106 -4.999 4.009 1.00 0.00 C ATOM 561 OE1 GLN A 59 -12.137 -4.798 4.630 1.00 0.00 O ATOM 562 NE2 GLN A 59 -10.325 -6.060 4.188 1.00 0.00 N ATOM 0 H GLN A 59 -6.669 -1.941 2.978 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.971 -4.479 2.937 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.432 -3.255 4.579 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -9.779 -2.072 3.333 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.430 -3.423 2.571 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -10.211 -4.586 2.090 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.475 -6.167 3.634 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.576 -6.767 4.879 1.00 0.00 H new ATOM 571 N LEU A 60 -7.963 -4.062 0.533 1.00 0.00 N ATOM 572 CA LEU A 60 -7.955 -3.867 -0.906 1.00 0.00 C ATOM 573 C LEU A 60 -9.397 -3.824 -1.418 1.00 0.00 C ATOM 574 O LEU A 60 -10.296 -4.390 -0.799 1.00 0.00 O ATOM 575 CB LEU A 60 -7.092 -4.931 -1.587 1.00 0.00 C ATOM 576 CG LEU A 60 -5.824 -5.345 -0.838 1.00 0.00 C ATOM 577 CD1 LEU A 60 -5.093 -6.468 -1.577 1.00 0.00 C ATOM 578 CD2 LEU A 60 -4.917 -4.139 -0.587 1.00 0.00 C ATOM 0 H LEU A 60 -7.790 -5.021 0.834 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.497 -2.910 -1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.703 -5.820 -1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.805 -4.562 -2.572 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.115 -5.737 0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.195 -6.744 -1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.748 -7.335 -1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.814 -6.126 -2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.023 -4.461 -0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.630 -3.695 -1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.451 -3.401 0.011 1.00 0.00 H new ATOM 590 N SER A 61 -9.571 -3.148 -2.544 1.00 0.00 N ATOM 591 CA SER A 61 -10.888 -3.025 -3.146 1.00 0.00 C ATOM 592 C SER A 61 -10.768 -3.031 -4.672 1.00 0.00 C ATOM 593 O SER A 61 -11.362 -2.192 -5.348 1.00 0.00 O ATOM 594 CB SER A 61 -11.592 -1.751 -2.674 1.00 0.00 C ATOM 595 OG SER A 61 -12.999 -1.935 -2.545 1.00 0.00 O ATOM 0 H SER A 61 -8.823 -2.680 -3.055 1.00 0.00 H new ATOM 0 HA SER A 61 -11.489 -3.878 -2.832 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.177 -1.442 -1.714 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.395 -0.945 -3.381 1.00 0.00 H new ATOM 0 HG SER A 61 -13.412 -1.100 -2.240 1.00 0.00 H new ATOM 601 N ALA A 62 -9.997 -3.987 -5.169 1.00 0.00 N ATOM 602 CA ALA A 62 -9.793 -4.113 -6.602 1.00 0.00 C ATOM 603 C ALA A 62 -11.103 -3.804 -7.329 1.00 0.00 C ATOM 604 O ALA A 62 -12.128 -4.430 -7.063 1.00 0.00 O ATOM 605 CB ALA A 62 -9.265 -5.514 -6.921 1.00 0.00 C ATOM 0 H ALA A 62 -9.506 -4.681 -4.605 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.048 -3.397 -6.948 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.112 -5.609 -7.996 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.319 -5.673 -6.404 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.988 -6.259 -6.590 1.00 0.00 H new ATOM 611 N GLU A 63 -11.027 -2.839 -8.234 1.00 0.00 N ATOM 612 CA GLU A 63 -12.194 -2.439 -9.001 1.00 0.00 C ATOM 613 C GLU A 63 -12.091 -2.963 -10.435 1.00 0.00 C ATOM 614 O GLU A 63 -13.053 -2.887 -11.198 1.00 0.00 O ATOM 615 CB GLU A 63 -12.367 -0.919 -8.984 1.00 0.00 C ATOM 616 CG GLU A 63 -11.430 -0.249 -9.991 1.00 0.00 C ATOM 617 CD GLU A 63 -12.189 0.750 -10.866 1.00 0.00 C ATOM 618 OE1 GLU A 63 -13.260 1.206 -10.409 1.00 0.00 O ATOM 619 OE2 GLU A 63 -11.682 1.036 -11.972 1.00 0.00 O ATOM 0 H GLU A 63 -10.175 -2.323 -8.453 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.078 -2.877 -8.537 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.401 -0.664 -9.219 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.164 -0.537 -7.983 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.627 0.263 -9.461 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.964 -1.008 -10.620 1.00 0.00 H new ATOM 626 N SER A 64 -10.916 -3.484 -10.758 1.00 0.00 N ATOM 627 CA SER A 64 -10.675 -4.020 -12.087 1.00 0.00 C ATOM 628 C SER A 64 -9.233 -4.517 -12.197 1.00 0.00 C ATOM 629 O SER A 64 -8.563 -4.718 -11.185 1.00 0.00 O ATOM 630 CB SER A 64 -10.959 -2.972 -13.164 1.00 0.00 C ATOM 631 OG SER A 64 -12.008 -3.376 -14.040 1.00 0.00 O ATOM 0 H SER A 64 -10.121 -3.546 -10.122 1.00 0.00 H new ATOM 0 HA SER A 64 -11.354 -4.857 -12.246 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.227 -2.028 -12.689 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.053 -2.792 -13.743 1.00 0.00 H new ATOM 0 HG SER A 64 -12.160 -2.679 -14.712 1.00 0.00 H new ATOM 637 N VAL A 65 -8.797 -4.702 -13.434 1.00 0.00 N ATOM 638 CA VAL A 65 -7.446 -5.172 -13.689 1.00 0.00 C ATOM 639 C VAL A 65 -6.511 -3.969 -13.834 1.00 0.00 C ATOM 640 O VAL A 65 -6.949 -2.879 -14.197 1.00 0.00 O ATOM 641 CB VAL A 65 -7.433 -6.089 -14.914 1.00 0.00 C ATOM 642 CG1 VAL A 65 -8.798 -6.751 -15.117 1.00 0.00 C ATOM 643 CG2 VAL A 65 -7.003 -5.325 -16.167 1.00 0.00 C ATOM 0 H VAL A 65 -9.356 -4.535 -14.271 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.084 -5.767 -12.850 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.701 -6.877 -14.735 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.762 -7.397 -15.994 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.049 -7.345 -14.238 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.557 -5.982 -15.264 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.002 -6.000 -17.023 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.699 -4.507 -16.351 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.000 -4.923 -16.022 1.00 0.00 H new ATOM 653 N GLY A 66 -5.241 -4.209 -13.543 1.00 0.00 N ATOM 654 CA GLY A 66 -4.241 -3.159 -13.635 1.00 0.00 C ATOM 655 C GLY A 66 -4.696 -1.901 -12.893 1.00 0.00 C ATOM 656 O GLY A 66 -4.291 -0.792 -13.238 1.00 0.00 O ATOM 0 H GLY A 66 -4.882 -5.115 -13.243 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.299 -3.512 -13.216 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.055 -2.920 -14.682 1.00 0.00 H new ATOM 660 N GLU A 67 -5.531 -2.116 -11.887 1.00 0.00 N ATOM 661 CA GLU A 67 -6.045 -1.013 -11.093 1.00 0.00 C ATOM 662 C GLU A 67 -6.949 -1.539 -9.976 1.00 0.00 C ATOM 663 O GLU A 67 -7.880 -2.301 -10.233 1.00 0.00 O ATOM 664 CB GLU A 67 -6.790 -0.005 -11.971 1.00 0.00 C ATOM 665 CG GLU A 67 -7.908 -0.688 -12.762 1.00 0.00 C ATOM 666 CD GLU A 67 -7.752 -0.434 -14.263 1.00 0.00 C ATOM 667 OE1 GLU A 67 -6.594 -0.229 -14.686 1.00 0.00 O ATOM 668 OE2 GLU A 67 -8.794 -0.452 -14.953 1.00 0.00 O ATOM 0 H GLU A 67 -5.864 -3.037 -11.604 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.201 -0.495 -10.638 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.210 0.784 -11.348 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.091 0.470 -12.659 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.893 -1.760 -12.568 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.876 -0.316 -12.425 1.00 0.00 H new ATOM 675 N VAL A 68 -6.643 -1.112 -8.760 1.00 0.00 N ATOM 676 CA VAL A 68 -7.416 -1.531 -7.603 1.00 0.00 C ATOM 677 C VAL A 68 -7.575 -0.347 -6.646 1.00 0.00 C ATOM 678 O VAL A 68 -6.885 0.662 -6.781 1.00 0.00 O ATOM 679 CB VAL A 68 -6.758 -2.746 -6.946 1.00 0.00 C ATOM 680 CG1 VAL A 68 -6.913 -3.992 -7.821 1.00 0.00 C ATOM 681 CG2 VAL A 68 -5.285 -2.472 -6.637 1.00 0.00 C ATOM 0 H VAL A 68 -5.870 -0.480 -8.551 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.416 -1.843 -7.904 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.268 -2.934 -6.001 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.437 -4.842 -7.332 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.972 -4.204 -7.967 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.441 -3.819 -8.788 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.841 -3.352 -6.171 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.755 -2.246 -7.562 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.208 -1.623 -5.958 1.00 0.00 H new ATOM 691 N TYR A 69 -8.489 -0.511 -5.701 1.00 0.00 N ATOM 692 CA TYR A 69 -8.748 0.531 -4.722 1.00 0.00 C ATOM 693 C TYR A 69 -8.485 0.027 -3.302 1.00 0.00 C ATOM 694 O TYR A 69 -9.273 -0.744 -2.757 1.00 0.00 O ATOM 695 CB TYR A 69 -10.231 0.880 -4.860 1.00 0.00 C ATOM 696 CG TYR A 69 -10.529 1.914 -5.947 1.00 0.00 C ATOM 697 CD1 TYR A 69 -10.638 1.518 -7.265 1.00 0.00 C ATOM 698 CD2 TYR A 69 -10.689 3.243 -5.611 1.00 0.00 C ATOM 699 CE1 TYR A 69 -10.918 2.491 -8.288 1.00 0.00 C ATOM 700 CE2 TYR A 69 -10.970 4.216 -6.634 1.00 0.00 C ATOM 701 CZ TYR A 69 -11.070 3.792 -7.923 1.00 0.00 C ATOM 702 OH TYR A 69 -11.335 4.712 -8.890 1.00 0.00 O ATOM 0 H TYR A 69 -9.059 -1.350 -5.592 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.099 1.389 -4.894 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -10.789 -0.031 -5.077 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.595 1.257 -3.904 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.513 0.478 -7.528 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -10.603 3.553 -4.580 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -11.005 2.194 -9.323 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -11.099 5.259 -6.384 1.00 0.00 H new ATOM 0 HH TYR A 69 -11.870 5.440 -8.511 1.00 0.00 H new ATOM 712 N ILE A 70 -7.373 0.483 -2.743 1.00 0.00 N ATOM 713 CA ILE A 70 -6.996 0.087 -1.397 1.00 0.00 C ATOM 714 C ILE A 70 -7.590 1.078 -0.394 1.00 0.00 C ATOM 715 O ILE A 70 -7.540 2.288 -0.607 1.00 0.00 O ATOM 716 CB ILE A 70 -5.477 -0.061 -1.288 1.00 0.00 C ATOM 717 CG1 ILE A 70 -4.898 -0.710 -2.547 1.00 0.00 C ATOM 718 CG2 ILE A 70 -5.090 -0.825 -0.020 1.00 0.00 C ATOM 719 CD1 ILE A 70 -3.388 -0.918 -2.412 1.00 0.00 C ATOM 0 H ILE A 70 -6.722 1.123 -3.198 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.407 -0.894 -1.159 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.041 0.935 -1.209 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.386 -1.668 -2.724 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.106 -0.082 -3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.005 -0.916 0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.452 -0.285 0.855 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -5.537 -1.819 -0.043 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.002 -1.381 -3.320 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.900 0.045 -2.260 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.185 -1.567 -1.560 1.00 0.00 H new ATOM 731 N LYS A 71 -8.139 0.527 0.679 1.00 0.00 N ATOM 732 CA LYS A 71 -8.742 1.347 1.716 1.00 0.00 C ATOM 733 C LYS A 71 -8.301 0.833 3.088 1.00 0.00 C ATOM 734 O LYS A 71 -8.279 -0.374 3.325 1.00 0.00 O ATOM 735 CB LYS A 71 -10.261 1.403 1.539 1.00 0.00 C ATOM 736 CG LYS A 71 -10.875 2.498 2.414 1.00 0.00 C ATOM 737 CD LYS A 71 -11.442 1.911 3.708 1.00 0.00 C ATOM 738 CE LYS A 71 -11.270 2.887 4.874 1.00 0.00 C ATOM 739 NZ LYS A 71 -11.836 4.211 4.529 1.00 0.00 N ATOM 0 H LYS A 71 -8.179 -0.477 0.852 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.397 2.378 1.636 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.502 1.591 0.493 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.697 0.438 1.798 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.119 3.246 2.651 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.666 3.007 1.864 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.499 1.681 3.575 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.938 0.972 3.937 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.765 2.493 5.762 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.213 2.989 5.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.063 4.886 4.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.415 4.128 3.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.428 4.551 5.314 1.00 0.00 H new ATOM 753 N SER A 72 -7.961 1.775 3.956 1.00 0.00 N ATOM 754 CA SER A 72 -7.522 1.432 5.298 1.00 0.00 C ATOM 755 C SER A 72 -8.725 1.366 6.241 1.00 0.00 C ATOM 756 O SER A 72 -8.972 2.298 7.004 1.00 0.00 O ATOM 757 CB SER A 72 -6.496 2.442 5.816 1.00 0.00 C ATOM 758 OG SER A 72 -6.143 2.195 7.175 1.00 0.00 O ATOM 0 H SER A 72 -7.981 2.775 3.756 1.00 0.00 H new ATOM 0 HA SER A 72 -7.043 0.454 5.262 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.601 2.400 5.196 1.00 0.00 H new ATOM 0 HB3 SER A 72 -6.901 3.450 5.724 1.00 0.00 H new ATOM 0 HG SER A 72 -5.645 1.353 7.236 1.00 0.00 H new ATOM 764 N THR A 73 -9.441 0.254 6.158 1.00 0.00 N ATOM 765 CA THR A 73 -10.612 0.054 6.994 1.00 0.00 C ATOM 766 C THR A 73 -10.211 -0.002 8.469 1.00 0.00 C ATOM 767 O THR A 73 -10.014 -1.083 9.022 1.00 0.00 O ATOM 768 CB THR A 73 -11.329 -1.208 6.511 1.00 0.00 C ATOM 769 OG1 THR A 73 -12.544 -1.225 7.255 1.00 0.00 O ATOM 770 CG2 THR A 73 -10.611 -2.490 6.941 1.00 0.00 C ATOM 0 H THR A 73 -9.232 -0.518 5.524 1.00 0.00 H new ATOM 0 HA THR A 73 -11.305 0.891 6.910 1.00 0.00 H new ATOM 0 HB THR A 73 -11.411 -1.184 5.424 1.00 0.00 H new ATOM 0 HG1 THR A 73 -13.071 -2.011 7.002 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.161 -3.356 6.573 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.602 -2.498 6.528 1.00 0.00 H new ATOM 0 HG23 THR A 73 -10.558 -2.530 8.029 1.00 0.00 H new ATOM 778 N GLU A 74 -10.101 1.177 9.065 1.00 0.00 N ATOM 779 CA GLU A 74 -9.727 1.275 10.465 1.00 0.00 C ATOM 780 C GLU A 74 -9.657 2.743 10.894 1.00 0.00 C ATOM 781 O GLU A 74 -10.150 3.105 11.961 1.00 0.00 O ATOM 782 CB GLU A 74 -8.398 0.563 10.729 1.00 0.00 C ATOM 783 CG GLU A 74 -8.519 -0.403 11.909 1.00 0.00 C ATOM 784 CD GLU A 74 -9.680 -1.378 11.703 1.00 0.00 C ATOM 785 OE1 GLU A 74 -9.465 -2.371 10.975 1.00 0.00 O ATOM 786 OE2 GLU A 74 -10.757 -1.107 12.278 1.00 0.00 O ATOM 0 H GLU A 74 -10.264 2.072 8.603 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.492 0.778 11.061 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.090 0.017 9.837 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.621 1.299 10.935 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.589 -0.959 12.025 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.671 0.160 12.830 1.00 0.00 H new ATOM 793 N THR A 75 -9.041 3.547 10.040 1.00 0.00 N ATOM 794 CA THR A 75 -8.900 4.966 10.317 1.00 0.00 C ATOM 795 C THR A 75 -9.693 5.789 9.300 1.00 0.00 C ATOM 796 O THR A 75 -10.158 6.885 9.610 1.00 0.00 O ATOM 797 CB THR A 75 -7.407 5.299 10.336 1.00 0.00 C ATOM 798 OG1 THR A 75 -7.298 6.354 11.287 1.00 0.00 O ATOM 799 CG2 THR A 75 -6.931 5.927 9.025 1.00 0.00 C ATOM 0 H THR A 75 -8.634 3.243 9.156 1.00 0.00 H new ATOM 0 HA THR A 75 -9.317 5.222 11.291 1.00 0.00 H new ATOM 0 HB THR A 75 -6.835 4.392 10.532 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.361 6.630 11.363 1.00 0.00 H new ATOM 0 HG21 THR A 75 -5.865 6.144 9.091 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.110 5.233 8.203 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.479 6.852 8.845 1.00 0.00 H new ATOM 807 N GLY A 76 -9.823 5.229 8.106 1.00 0.00 N ATOM 808 CA GLY A 76 -10.552 5.897 7.041 1.00 0.00 C ATOM 809 C GLY A 76 -9.595 6.630 6.098 1.00 0.00 C ATOM 810 O GLY A 76 -9.417 7.842 6.207 1.00 0.00 O ATOM 0 H GLY A 76 -9.436 4.320 7.853 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.133 5.166 6.479 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.260 6.606 7.469 1.00 0.00 H new ATOM 814 N GLN A 77 -9.005 5.863 5.193 1.00 0.00 N ATOM 815 CA GLN A 77 -8.071 6.424 4.232 1.00 0.00 C ATOM 816 C GLN A 77 -7.916 5.486 3.033 1.00 0.00 C ATOM 817 O GLN A 77 -8.083 4.274 3.163 1.00 0.00 O ATOM 818 CB GLN A 77 -6.717 6.708 4.884 1.00 0.00 C ATOM 819 CG GLN A 77 -6.421 8.209 4.904 1.00 0.00 C ATOM 820 CD GLN A 77 -5.891 8.646 6.271 1.00 0.00 C ATOM 821 OE1 GLN A 77 -6.841 8.854 7.178 1.00 0.00 O flip ATOM 822 NE2 GLN A 77 -4.698 8.785 6.487 1.00 0.00 N flip ATOM 0 H GLN A 77 -9.156 4.858 5.105 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.472 7.373 3.877 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -6.711 6.319 5.902 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -5.930 6.186 4.339 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -5.689 8.449 4.133 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -7.328 8.765 4.667 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.021 8.608 5.745 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.378 9.078 7.410 1.00 0.00 H new ATOM 831 N TYR A 78 -7.599 6.082 1.893 1.00 0.00 N ATOM 832 CA TYR A 78 -7.420 5.315 0.672 1.00 0.00 C ATOM 833 C TYR A 78 -6.008 5.499 0.111 1.00 0.00 C ATOM 834 O TYR A 78 -5.654 6.584 -0.347 1.00 0.00 O ATOM 835 CB TYR A 78 -8.430 5.876 -0.330 1.00 0.00 C ATOM 836 CG TYR A 78 -9.879 5.479 -0.041 1.00 0.00 C ATOM 837 CD1 TYR A 78 -10.657 6.264 0.786 1.00 0.00 C ATOM 838 CD2 TYR A 78 -10.409 4.337 -0.606 1.00 0.00 C ATOM 839 CE1 TYR A 78 -12.021 5.891 1.059 1.00 0.00 C ATOM 840 CE2 TYR A 78 -11.772 3.964 -0.334 1.00 0.00 C ATOM 841 CZ TYR A 78 -12.511 4.760 0.485 1.00 0.00 C ATOM 842 OH TYR A 78 -13.799 4.407 0.743 1.00 0.00 O ATOM 0 H TYR A 78 -7.461 7.087 1.789 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.566 4.252 0.862 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.356 6.963 -0.335 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.163 5.534 -1.330 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -10.243 7.158 1.228 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -9.800 3.723 -1.253 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -12.640 6.496 1.705 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -12.198 3.073 -0.770 1.00 0.00 H new ATOM 0 HH TYR A 78 -14.013 3.578 0.265 1.00 0.00 H new ATOM 852 N LEU A 79 -5.239 4.421 0.166 1.00 0.00 N ATOM 853 CA LEU A 79 -3.874 4.449 -0.330 1.00 0.00 C ATOM 854 C LEU A 79 -3.842 5.166 -1.681 1.00 0.00 C ATOM 855 O LEU A 79 -4.644 4.868 -2.565 1.00 0.00 O ATOM 856 CB LEU A 79 -3.288 3.036 -0.370 1.00 0.00 C ATOM 857 CG LEU A 79 -1.971 2.835 0.382 1.00 0.00 C ATOM 858 CD1 LEU A 79 -2.004 3.535 1.742 1.00 0.00 C ATOM 859 CD2 LEU A 79 -1.636 1.347 0.512 1.00 0.00 C ATOM 0 H LEU A 79 -5.536 3.523 0.547 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.235 5.015 0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.026 2.346 0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.135 2.757 -1.412 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.172 3.296 -0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.056 3.376 2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.164 4.603 1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.815 3.124 2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.695 1.232 1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.432 0.841 1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.542 0.907 -0.481 1.00 0.00 H new ATOM 871 N ALA A 80 -2.907 6.097 -1.799 1.00 0.00 N ATOM 872 CA ALA A 80 -2.760 6.859 -3.028 1.00 0.00 C ATOM 873 C ALA A 80 -1.329 7.393 -3.124 1.00 0.00 C ATOM 874 O ALA A 80 -0.576 7.337 -2.154 1.00 0.00 O ATOM 875 CB ALA A 80 -3.803 7.977 -3.063 1.00 0.00 C ATOM 0 H ALA A 80 -2.243 6.341 -1.064 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.934 6.224 -3.897 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.693 8.549 -3.985 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.802 7.544 -3.022 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.658 8.637 -2.207 1.00 0.00 H new ATOM 881 N MET A 81 -0.998 7.899 -4.303 1.00 0.00 N ATOM 882 CA MET A 81 0.328 8.442 -4.538 1.00 0.00 C ATOM 883 C MET A 81 0.262 9.686 -5.428 1.00 0.00 C ATOM 884 O MET A 81 -0.152 9.605 -6.583 1.00 0.00 O ATOM 885 CB MET A 81 1.203 7.381 -5.209 1.00 0.00 C ATOM 886 CG MET A 81 2.578 7.302 -4.541 1.00 0.00 C ATOM 887 SD MET A 81 3.365 5.753 -4.948 1.00 0.00 S ATOM 888 CE MET A 81 5.080 6.229 -4.800 1.00 0.00 C ATOM 0 H MET A 81 -1.626 7.944 -5.106 1.00 0.00 H new ATOM 0 HA MET A 81 0.758 8.727 -3.578 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.711 6.410 -5.153 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.321 7.618 -6.266 1.00 0.00 H new ATOM 0 HG2 MET A 81 3.200 8.134 -4.871 1.00 0.00 H new ATOM 0 HG3 MET A 81 2.472 7.393 -3.460 1.00 0.00 H new ATOM 0 HE1 MET A 81 5.716 5.399 -5.108 1.00 0.00 H new ATOM 0 HE2 MET A 81 5.275 7.092 -5.437 1.00 0.00 H new ATOM 0 HE3 MET A 81 5.298 6.487 -3.764 1.00 0.00 H new ATOM 898 N ASP A 82 0.675 10.807 -4.855 1.00 0.00 N ATOM 899 CA ASP A 82 0.668 12.065 -5.581 1.00 0.00 C ATOM 900 C ASP A 82 1.823 12.077 -6.583 1.00 0.00 C ATOM 901 O ASP A 82 2.644 11.162 -6.601 1.00 0.00 O ATOM 902 CB ASP A 82 0.854 13.250 -4.631 1.00 0.00 C ATOM 903 CG ASP A 82 -0.242 13.410 -3.575 1.00 0.00 C ATOM 904 OD1 ASP A 82 -1.405 13.607 -3.989 1.00 0.00 O ATOM 905 OD2 ASP A 82 0.108 13.332 -2.377 1.00 0.00 O ATOM 0 H ASP A 82 1.017 10.870 -3.896 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.293 12.156 -6.088 1.00 0.00 H new ATOM 0 HB2 ASP A 82 1.813 13.143 -4.124 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.905 14.165 -5.221 1.00 0.00 H new ATOM 910 N THR A 83 1.850 13.125 -7.394 1.00 0.00 N ATOM 911 CA THR A 83 2.891 13.268 -8.398 1.00 0.00 C ATOM 912 C THR A 83 4.272 13.250 -7.739 1.00 0.00 C ATOM 913 O THR A 83 5.282 13.052 -8.413 1.00 0.00 O ATOM 914 CB THR A 83 2.612 14.547 -9.189 1.00 0.00 C ATOM 915 OG1 THR A 83 2.116 15.459 -8.213 1.00 0.00 O ATOM 916 CG2 THR A 83 1.450 14.386 -10.172 1.00 0.00 C ATOM 0 H THR A 83 1.168 13.883 -7.376 1.00 0.00 H new ATOM 0 HA THR A 83 2.887 12.430 -9.095 1.00 0.00 H new ATOM 0 HB THR A 83 3.510 14.840 -9.733 1.00 0.00 H new ATOM 0 HG1 THR A 83 1.911 16.317 -8.641 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.294 15.322 -10.707 1.00 0.00 H new ATOM 0 HG22 THR A 83 1.683 13.595 -10.885 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.544 14.126 -9.625 1.00 0.00 H new ATOM 924 N ASP A 84 4.271 13.460 -6.431 1.00 0.00 N ATOM 925 CA ASP A 84 5.512 13.471 -5.674 1.00 0.00 C ATOM 926 C ASP A 84 5.875 12.038 -5.278 1.00 0.00 C ATOM 927 O ASP A 84 6.795 11.822 -4.491 1.00 0.00 O ATOM 928 CB ASP A 84 5.368 14.294 -4.393 1.00 0.00 C ATOM 929 CG ASP A 84 6.600 15.116 -4.010 1.00 0.00 C ATOM 930 OD1 ASP A 84 6.896 16.075 -4.755 1.00 0.00 O ATOM 931 OD2 ASP A 84 7.219 14.767 -2.982 1.00 0.00 O ATOM 0 H ASP A 84 3.431 13.624 -5.876 1.00 0.00 H new ATOM 0 HA ASP A 84 6.286 13.913 -6.301 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.520 14.970 -4.507 1.00 0.00 H new ATOM 0 HB3 ASP A 84 5.130 13.619 -3.571 1.00 0.00 H new ATOM 936 N GLY A 85 5.133 11.096 -5.842 1.00 0.00 N ATOM 937 CA GLY A 85 5.365 9.691 -5.558 1.00 0.00 C ATOM 938 C GLY A 85 5.407 9.436 -4.050 1.00 0.00 C ATOM 939 O GLY A 85 5.953 8.429 -3.602 1.00 0.00 O ATOM 0 H GLY A 85 4.371 11.279 -6.494 1.00 0.00 H new ATOM 0 HA2 GLY A 85 4.576 9.090 -6.010 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.305 9.375 -6.010 1.00 0.00 H new ATOM 943 N LEU A 86 4.823 10.366 -3.308 1.00 0.00 N ATOM 944 CA LEU A 86 4.787 10.255 -1.860 1.00 0.00 C ATOM 945 C LEU A 86 3.450 9.647 -1.432 1.00 0.00 C ATOM 946 O LEU A 86 2.425 10.327 -1.435 1.00 0.00 O ATOM 947 CB LEU A 86 5.082 11.609 -1.211 1.00 0.00 C ATOM 948 CG LEU A 86 5.694 11.562 0.190 1.00 0.00 C ATOM 949 CD1 LEU A 86 5.890 12.972 0.750 1.00 0.00 C ATOM 950 CD2 LEU A 86 4.858 10.685 1.124 1.00 0.00 C ATOM 0 H LEU A 86 4.371 11.200 -3.683 1.00 0.00 H new ATOM 0 HA LEU A 86 5.570 9.582 -1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.758 12.162 -1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.152 12.176 -1.161 1.00 0.00 H new ATOM 0 HG LEU A 86 6.681 11.105 0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.326 12.910 1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.557 13.534 0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.926 13.478 0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.315 10.669 2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.849 11.090 1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.814 9.670 0.728 1.00 0.00 H new ATOM 962 N LEU A 87 3.503 8.372 -1.075 1.00 0.00 N ATOM 963 CA LEU A 87 2.309 7.664 -0.646 1.00 0.00 C ATOM 964 C LEU A 87 1.444 8.600 0.202 1.00 0.00 C ATOM 965 O LEU A 87 1.946 9.265 1.106 1.00 0.00 O ATOM 966 CB LEU A 87 2.684 6.362 0.064 1.00 0.00 C ATOM 967 CG LEU A 87 2.524 5.081 -0.757 1.00 0.00 C ATOM 968 CD1 LEU A 87 3.459 5.085 -1.968 1.00 0.00 C ATOM 969 CD2 LEU A 87 2.724 3.841 0.117 1.00 0.00 C ATOM 0 H LEU A 87 4.355 7.811 -1.074 1.00 0.00 H new ATOM 0 HA LEU A 87 1.711 7.369 -1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.722 6.434 0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.074 6.273 0.963 1.00 0.00 H new ATOM 0 HG LEU A 87 1.504 5.045 -1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.325 4.163 -2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.226 5.939 -2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.493 5.156 -1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.605 2.944 -0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.725 3.857 0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.985 3.837 0.918 1.00 0.00 H new ATOM 981 N TYR A 88 0.160 8.621 -0.121 1.00 0.00 N ATOM 982 CA TYR A 88 -0.780 9.463 0.599 1.00 0.00 C ATOM 983 C TYR A 88 -2.220 9.006 0.362 1.00 0.00 C ATOM 984 O TYR A 88 -2.504 8.319 -0.618 1.00 0.00 O ATOM 985 CB TYR A 88 -0.604 10.873 0.030 1.00 0.00 C ATOM 986 CG TYR A 88 -1.615 11.234 -1.059 1.00 0.00 C ATOM 987 CD1 TYR A 88 -1.342 10.939 -2.379 1.00 0.00 C ATOM 988 CD2 TYR A 88 -2.800 11.855 -0.722 1.00 0.00 C ATOM 989 CE1 TYR A 88 -2.294 11.279 -3.405 1.00 0.00 C ATOM 990 CE2 TYR A 88 -3.752 12.196 -1.747 1.00 0.00 C ATOM 991 CZ TYR A 88 -3.452 11.891 -3.038 1.00 0.00 C ATOM 992 OH TYR A 88 -4.351 12.212 -4.007 1.00 0.00 O ATOM 0 H TYR A 88 -0.252 8.068 -0.872 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.591 9.418 1.672 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.687 11.595 0.843 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.403 10.966 -0.377 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.414 10.453 -2.643 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.014 12.085 0.311 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.093 11.053 -4.442 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.683 12.683 -1.496 1.00 0.00 H new ATOM 0 HH TYR A 88 -5.131 12.643 -3.600 1.00 0.00 H new ATOM 1002 N GLY A 89 -3.092 9.406 1.276 1.00 0.00 N ATOM 1003 CA GLY A 89 -4.497 9.046 1.178 1.00 0.00 C ATOM 1004 C GLY A 89 -5.378 10.294 1.095 1.00 0.00 C ATOM 1005 O GLY A 89 -4.984 11.368 1.548 1.00 0.00 O ATOM 0 H GLY A 89 -2.853 9.976 2.088 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.656 8.425 0.297 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.785 8.450 2.044 1.00 0.00 H new ATOM 1009 N SER A 90 -6.554 10.111 0.512 1.00 0.00 N ATOM 1010 CA SER A 90 -7.494 11.209 0.364 1.00 0.00 C ATOM 1011 C SER A 90 -8.929 10.677 0.394 1.00 0.00 C ATOM 1012 O SER A 90 -9.161 9.494 0.148 1.00 0.00 O ATOM 1013 CB SER A 90 -7.241 11.979 -0.933 1.00 0.00 C ATOM 1014 OG SER A 90 -7.049 13.372 -0.699 1.00 0.00 O ATOM 0 H SER A 90 -6.877 9.219 0.137 1.00 0.00 H new ATOM 0 HA SER A 90 -7.351 11.897 1.197 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.362 11.571 -1.431 1.00 0.00 H new ATOM 0 HB3 SER A 90 -8.085 11.838 -1.609 1.00 0.00 H new ATOM 0 HG SER A 90 -6.889 13.828 -1.552 1.00 0.00 H new ATOM 1020 N GLN A 91 -9.853 11.576 0.696 1.00 0.00 N ATOM 1021 CA GLN A 91 -11.259 11.212 0.761 1.00 0.00 C ATOM 1022 C GLN A 91 -11.855 11.146 -0.646 1.00 0.00 C ATOM 1023 O GLN A 91 -13.055 10.924 -0.806 1.00 0.00 O ATOM 1024 CB GLN A 91 -12.038 12.191 1.642 1.00 0.00 C ATOM 1025 CG GLN A 91 -13.545 11.947 1.532 1.00 0.00 C ATOM 1026 CD GLN A 91 -14.255 12.305 2.838 1.00 0.00 C ATOM 1027 OE1 GLN A 91 -14.760 11.456 3.554 1.00 0.00 O ATOM 1028 NE2 GLN A 91 -14.266 13.608 3.108 1.00 0.00 N ATOM 0 H GLN A 91 -9.656 12.556 0.899 1.00 0.00 H new ATOM 0 HA GLN A 91 -11.339 10.224 1.215 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -11.723 12.082 2.680 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -11.809 13.215 1.345 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -13.955 12.542 0.716 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -13.731 10.901 1.288 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -13.824 14.266 2.466 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -14.716 13.949 3.957 1.00 0.00 H new ATOM 1037 N THR A 92 -10.991 11.342 -1.631 1.00 0.00 N ATOM 1038 CA THR A 92 -11.418 11.307 -3.019 1.00 0.00 C ATOM 1039 C THR A 92 -10.767 10.129 -3.747 1.00 0.00 C ATOM 1040 O THR A 92 -9.684 10.266 -4.314 1.00 0.00 O ATOM 1041 CB THR A 92 -11.093 12.663 -3.648 1.00 0.00 C ATOM 1042 OG1 THR A 92 -9.688 12.612 -3.879 1.00 0.00 O ATOM 1043 CG2 THR A 92 -11.267 13.822 -2.663 1.00 0.00 C ATOM 0 H THR A 92 -9.997 11.526 -1.495 1.00 0.00 H new ATOM 0 HA THR A 92 -12.493 11.145 -3.098 1.00 0.00 H new ATOM 0 HB THR A 92 -11.734 12.823 -4.515 1.00 0.00 H new ATOM 0 HG1 THR A 92 -9.496 11.962 -4.587 1.00 0.00 H new ATOM 0 HG21 THR A 92 -11.024 14.761 -3.160 1.00 0.00 H new ATOM 0 HG22 THR A 92 -12.300 13.852 -2.315 1.00 0.00 H new ATOM 0 HG23 THR A 92 -10.602 13.679 -1.812 1.00 0.00 H new ATOM 1051 N PRO A 93 -11.474 8.968 -3.707 1.00 0.00 N ATOM 1052 CA PRO A 93 -10.977 7.766 -4.356 1.00 0.00 C ATOM 1053 C PRO A 93 -11.143 7.855 -5.875 1.00 0.00 C ATOM 1054 O PRO A 93 -12.262 7.817 -6.384 1.00 0.00 O ATOM 1055 CB PRO A 93 -11.772 6.628 -3.738 1.00 0.00 C ATOM 1056 CG PRO A 93 -12.999 7.268 -3.110 1.00 0.00 C ATOM 1057 CD PRO A 93 -12.760 8.768 -3.045 1.00 0.00 C ATOM 0 HA PRO A 93 -9.908 7.617 -4.203 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -12.057 5.896 -4.493 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -11.181 6.100 -2.990 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -13.889 7.048 -3.700 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -13.171 6.865 -2.112 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -13.555 9.318 -3.549 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -12.734 9.120 -2.014 1.00 0.00 H new ATOM 1065 N ASN A 94 -10.013 7.972 -6.556 1.00 0.00 N ATOM 1066 CA ASN A 94 -10.018 8.067 -8.005 1.00 0.00 C ATOM 1067 C ASN A 94 -8.759 7.398 -8.561 1.00 0.00 C ATOM 1068 O ASN A 94 -7.993 6.792 -7.814 1.00 0.00 O ATOM 1069 CB ASN A 94 -10.019 9.527 -8.462 1.00 0.00 C ATOM 1070 CG ASN A 94 -11.282 10.249 -7.988 1.00 0.00 C ATOM 1071 OD1 ASN A 94 -11.337 10.435 -6.672 1.00 0.00 O flip ATOM 1072 ND2 ASN A 94 -12.148 10.614 -8.766 1.00 0.00 N flip ATOM 0 H ASN A 94 -9.087 8.003 -6.130 1.00 0.00 H new ATOM 0 HA ASN A 94 -10.919 7.574 -8.371 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -9.137 10.035 -8.071 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -9.957 9.572 -9.549 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -12.042 10.439 -9.765 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -12.978 11.094 -8.417 1.00 0.00 H new ATOM 1079 N GLU A 95 -8.585 7.531 -9.868 1.00 0.00 N ATOM 1080 CA GLU A 95 -7.432 6.947 -10.532 1.00 0.00 C ATOM 1081 C GLU A 95 -6.168 7.178 -9.701 1.00 0.00 C ATOM 1082 O GLU A 95 -5.220 6.398 -9.778 1.00 0.00 O ATOM 1083 CB GLU A 95 -7.270 7.510 -11.945 1.00 0.00 C ATOM 1084 CG GLU A 95 -7.960 6.614 -12.975 1.00 0.00 C ATOM 1085 CD GLU A 95 -9.371 7.118 -13.283 1.00 0.00 C ATOM 1086 OE1 GLU A 95 -9.469 8.092 -14.060 1.00 0.00 O ATOM 1087 OE2 GLU A 95 -10.321 6.518 -12.735 1.00 0.00 O ATOM 0 H GLU A 95 -9.223 8.034 -10.485 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.593 5.873 -10.621 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -7.692 8.514 -11.991 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.211 7.598 -12.186 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.371 6.588 -13.892 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.009 5.592 -12.599 1.00 0.00 H new ATOM 1094 N GLU A 96 -6.195 8.252 -8.927 1.00 0.00 N ATOM 1095 CA GLU A 96 -5.063 8.595 -8.083 1.00 0.00 C ATOM 1096 C GLU A 96 -4.989 7.649 -6.883 1.00 0.00 C ATOM 1097 O GLU A 96 -3.918 7.144 -6.551 1.00 0.00 O ATOM 1098 CB GLU A 96 -5.141 10.054 -7.627 1.00 0.00 C ATOM 1099 CG GLU A 96 -3.963 10.408 -6.718 1.00 0.00 C ATOM 1100 CD GLU A 96 -3.804 11.924 -6.591 1.00 0.00 C ATOM 1101 OE1 GLU A 96 -4.829 12.619 -6.769 1.00 0.00 O ATOM 1102 OE2 GLU A 96 -2.663 12.355 -6.319 1.00 0.00 O ATOM 0 H GLU A 96 -6.983 8.897 -8.866 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.151 8.480 -8.668 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.144 10.711 -8.497 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -6.078 10.223 -7.096 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.117 9.971 -5.731 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.047 9.975 -7.119 1.00 0.00 H new ATOM 1109 N CYS A 97 -6.142 7.437 -6.265 1.00 0.00 N ATOM 1110 CA CYS A 97 -6.222 6.560 -5.110 1.00 0.00 C ATOM 1111 C CYS A 97 -5.952 5.127 -5.574 1.00 0.00 C ATOM 1112 O CYS A 97 -5.382 4.327 -4.833 1.00 0.00 O ATOM 1113 CB CYS A 97 -7.570 6.684 -4.397 1.00 0.00 C ATOM 1114 SG CYS A 97 -8.811 5.617 -5.215 1.00 0.00 S ATOM 0 H CYS A 97 -7.029 7.858 -6.543 1.00 0.00 H new ATOM 0 HA CYS A 97 -5.469 6.851 -4.377 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -7.465 6.397 -3.351 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -7.904 7.721 -4.411 1.00 0.00 H new ATOM 0 HG CYS A 97 -8.843 5.885 -6.487 1.00 0.00 H new ATOM 1120 N LEU A 98 -6.374 4.846 -6.798 1.00 0.00 N ATOM 1121 CA LEU A 98 -6.185 3.524 -7.370 1.00 0.00 C ATOM 1122 C LEU A 98 -4.716 3.120 -7.235 1.00 0.00 C ATOM 1123 O LEU A 98 -3.873 3.941 -6.877 1.00 0.00 O ATOM 1124 CB LEU A 98 -6.705 3.484 -8.809 1.00 0.00 C ATOM 1125 CG LEU A 98 -8.135 2.973 -8.992 1.00 0.00 C ATOM 1126 CD1 LEU A 98 -8.845 3.724 -10.120 1.00 0.00 C ATOM 1127 CD2 LEU A 98 -8.154 1.459 -9.210 1.00 0.00 C ATOM 0 H LEU A 98 -6.846 5.512 -7.410 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.770 2.785 -6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.644 4.490 -9.224 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.038 2.855 -9.398 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.688 3.172 -8.074 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -9.860 3.341 -10.229 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.882 4.787 -9.883 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.300 3.579 -11.053 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.183 1.123 -9.337 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.579 1.213 -10.102 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.714 0.961 -8.346 1.00 0.00 H new ATOM 1139 N PHE A 99 -4.454 1.855 -7.529 1.00 0.00 N ATOM 1140 CA PHE A 99 -3.101 1.332 -7.445 1.00 0.00 C ATOM 1141 C PHE A 99 -2.880 0.215 -8.467 1.00 0.00 C ATOM 1142 O PHE A 99 -3.240 -0.936 -8.222 1.00 0.00 O ATOM 1143 CB PHE A 99 -2.929 0.759 -6.037 1.00 0.00 C ATOM 1144 CG PHE A 99 -1.887 1.492 -5.190 1.00 0.00 C ATOM 1145 CD1 PHE A 99 -0.770 2.001 -5.776 1.00 0.00 C ATOM 1146 CD2 PHE A 99 -2.078 1.635 -3.851 1.00 0.00 C ATOM 1147 CE1 PHE A 99 0.197 2.682 -4.989 1.00 0.00 C ATOM 1148 CE2 PHE A 99 -1.111 2.316 -3.064 1.00 0.00 C ATOM 1149 CZ PHE A 99 0.006 2.825 -3.650 1.00 0.00 C ATOM 0 H PHE A 99 -5.156 1.177 -7.826 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.383 2.125 -7.652 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.889 0.792 -5.522 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.646 -0.291 -6.115 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.618 1.887 -6.839 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.965 1.231 -3.386 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.084 3.086 -5.454 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.263 2.430 -2.001 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.741 3.343 -3.052 1.00 0.00 H new ATOM 1159 N LEU A 100 -2.290 0.593 -9.591 1.00 0.00 N ATOM 1160 CA LEU A 100 -2.017 -0.362 -10.652 1.00 0.00 C ATOM 1161 C LEU A 100 -1.472 -1.654 -10.040 1.00 0.00 C ATOM 1162 O LEU A 100 -0.316 -1.708 -9.622 1.00 0.00 O ATOM 1163 CB LEU A 100 -1.097 0.256 -11.706 1.00 0.00 C ATOM 1164 CG LEU A 100 -1.685 0.394 -13.112 1.00 0.00 C ATOM 1165 CD1 LEU A 100 -0.939 1.462 -13.915 1.00 0.00 C ATOM 1166 CD2 LEU A 100 -1.706 -0.955 -13.832 1.00 0.00 C ATOM 0 H LEU A 100 -1.993 1.548 -9.791 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.936 -0.621 -11.178 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.795 1.245 -11.361 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.193 -0.349 -11.770 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.719 0.725 -13.019 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.376 1.540 -14.910 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -1.020 2.423 -13.406 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.112 1.185 -14.001 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.128 -0.829 -14.829 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.689 -1.339 -13.915 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.315 -1.660 -13.266 1.00 0.00 H new ATOM 1178 N GLU A 101 -2.329 -2.664 -10.007 1.00 0.00 N ATOM 1179 CA GLU A 101 -1.947 -3.952 -9.454 1.00 0.00 C ATOM 1180 C GLU A 101 -2.031 -5.038 -10.529 1.00 0.00 C ATOM 1181 O GLU A 101 -2.884 -4.975 -11.414 1.00 0.00 O ATOM 1182 CB GLU A 101 -2.815 -4.309 -8.246 1.00 0.00 C ATOM 1183 CG GLU A 101 -2.093 -5.292 -7.322 1.00 0.00 C ATOM 1184 CD GLU A 101 -2.672 -6.701 -7.461 1.00 0.00 C ATOM 1185 OE1 GLU A 101 -2.227 -7.408 -8.391 1.00 0.00 O ATOM 1186 OE2 GLU A 101 -3.546 -7.040 -6.635 1.00 0.00 O ATOM 0 H GLU A 101 -3.287 -2.616 -10.354 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.914 -3.886 -9.112 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -3.066 -3.403 -7.694 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -3.754 -4.746 -8.585 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.030 -5.307 -7.561 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.183 -4.958 -6.288 1.00 0.00 H new ATOM 1193 N ARG A 102 -1.136 -6.007 -10.417 1.00 0.00 N ATOM 1194 CA ARG A 102 -1.098 -7.105 -11.368 1.00 0.00 C ATOM 1195 C ARG A 102 -0.838 -8.427 -10.643 1.00 0.00 C ATOM 1196 O ARG A 102 -1.774 -9.098 -10.214 1.00 0.00 O ATOM 1197 CB ARG A 102 -0.009 -6.885 -12.420 1.00 0.00 C ATOM 1198 CG ARG A 102 1.006 -5.842 -11.949 1.00 0.00 C ATOM 1199 CD ARG A 102 1.820 -5.298 -13.125 1.00 0.00 C ATOM 1200 NE ARG A 102 2.832 -4.335 -12.637 1.00 0.00 N ATOM 1201 CZ ARG A 102 4.085 -4.669 -12.298 1.00 0.00 C ATOM 1202 NH1 ARG A 102 4.487 -5.943 -12.391 1.00 0.00 N ATOM 1203 NH2 ARG A 102 4.935 -3.728 -11.865 1.00 0.00 N ATOM 0 H ARG A 102 -0.431 -6.055 -9.682 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.066 -7.145 -11.867 1.00 0.00 H new ATOM 0 HB2 ARG A 102 0.500 -7.827 -12.624 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.463 -6.559 -13.356 1.00 0.00 H new ATOM 0 HG2 ARG A 102 0.487 -5.023 -11.452 1.00 0.00 H new ATOM 0 HG3 ARG A 102 1.676 -6.288 -11.214 1.00 0.00 H new ATOM 0 HD2 ARG A 102 2.310 -6.118 -13.649 1.00 0.00 H new ATOM 0 HD3 ARG A 102 1.159 -4.811 -13.842 1.00 0.00 H new ATOM 0 HE ARG A 102 2.559 -3.356 -12.553 1.00 0.00 H new ATOM 0 HH11 ARG A 102 3.840 -6.659 -12.720 1.00 0.00 H new ATOM 0 HH12 ARG A 102 5.441 -6.197 -12.133 1.00 0.00 H new ATOM 0 HH21 ARG A 102 4.628 -2.758 -11.793 1.00 0.00 H new ATOM 0 HH22 ARG A 102 5.889 -3.982 -11.607 1.00 0.00 H new ATOM 1217 N LEU A 103 0.440 -8.761 -10.530 1.00 0.00 N ATOM 1218 CA LEU A 103 0.835 -9.991 -9.864 1.00 0.00 C ATOM 1219 C LEU A 103 2.358 -10.129 -9.921 1.00 0.00 C ATOM 1220 O LEU A 103 2.940 -10.184 -11.003 1.00 0.00 O ATOM 1221 CB LEU A 103 0.086 -11.186 -10.458 1.00 0.00 C ATOM 1222 CG LEU A 103 -0.523 -12.163 -9.451 1.00 0.00 C ATOM 1223 CD1 LEU A 103 -0.686 -13.554 -10.067 1.00 0.00 C ATOM 1224 CD2 LEU A 103 0.297 -12.201 -8.159 1.00 0.00 C ATOM 0 H LEU A 103 1.214 -8.202 -10.888 1.00 0.00 H new ATOM 0 HA LEU A 103 0.556 -9.961 -8.811 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.713 -10.808 -11.096 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.773 -11.738 -11.100 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.520 -11.807 -9.190 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.121 -14.229 -9.330 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.342 -13.493 -10.935 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.289 -13.932 -10.375 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -0.158 -12.903 -7.460 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.315 -12.520 -8.383 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.318 -11.207 -7.712 1.00 0.00 H new ATOM 1236 N GLU A 104 2.959 -10.182 -8.741 1.00 0.00 N ATOM 1237 CA GLU A 104 4.403 -10.314 -8.643 1.00 0.00 C ATOM 1238 C GLU A 104 4.796 -11.789 -8.547 1.00 0.00 C ATOM 1239 O GLU A 104 5.770 -12.217 -9.166 1.00 0.00 O ATOM 1240 CB GLU A 104 4.945 -9.523 -7.451 1.00 0.00 C ATOM 1241 CG GLU A 104 6.427 -9.825 -7.221 1.00 0.00 C ATOM 1242 CD GLU A 104 6.613 -11.193 -6.563 1.00 0.00 C ATOM 1243 OE1 GLU A 104 5.605 -11.710 -6.035 1.00 0.00 O ATOM 1244 OE2 GLU A 104 7.758 -11.691 -6.602 1.00 0.00 O ATOM 0 H GLU A 104 2.473 -10.136 -7.846 1.00 0.00 H new ATOM 0 HA GLU A 104 4.849 -9.898 -9.546 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.811 -8.456 -7.627 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.376 -9.773 -6.555 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.959 -9.800 -8.172 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.866 -9.052 -6.590 1.00 0.00 H new ATOM 1251 N GLU A 105 4.020 -12.526 -7.767 1.00 0.00 N ATOM 1252 CA GLU A 105 4.275 -13.945 -7.582 1.00 0.00 C ATOM 1253 C GLU A 105 2.992 -14.748 -7.801 1.00 0.00 C ATOM 1254 O GLU A 105 2.618 -15.031 -8.938 1.00 0.00 O ATOM 1255 CB GLU A 105 4.865 -14.220 -6.197 1.00 0.00 C ATOM 1256 CG GLU A 105 6.393 -14.147 -6.228 1.00 0.00 C ATOM 1257 CD GLU A 105 7.011 -15.541 -6.102 1.00 0.00 C ATOM 1258 OE1 GLU A 105 6.376 -16.385 -5.433 1.00 0.00 O ATOM 1259 OE2 GLU A 105 8.104 -15.731 -6.678 1.00 0.00 O ATOM 0 H GLU A 105 3.214 -12.167 -7.255 1.00 0.00 H new ATOM 0 HA GLU A 105 5.009 -14.262 -8.323 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.477 -13.495 -5.482 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.551 -15.206 -5.853 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.720 -13.683 -7.159 1.00 0.00 H new ATOM 0 HG3 GLU A 105 6.747 -13.513 -5.415 1.00 0.00 H new ATOM 1266 N ASN A 106 2.351 -15.093 -6.693 1.00 0.00 N ATOM 1267 CA ASN A 106 1.118 -15.858 -6.750 1.00 0.00 C ATOM 1268 C ASN A 106 0.379 -15.726 -5.416 1.00 0.00 C ATOM 1269 O ASN A 106 -0.246 -16.678 -4.952 1.00 0.00 O ATOM 1270 CB ASN A 106 1.400 -17.343 -6.989 1.00 0.00 C ATOM 1271 CG ASN A 106 0.243 -18.008 -7.736 1.00 0.00 C ATOM 1272 OD1 ASN A 106 -0.674 -17.361 -8.214 1.00 0.00 O ATOM 1273 ND2 ASN A 106 0.338 -19.332 -7.811 1.00 0.00 N ATOM 0 H ASN A 106 2.663 -14.856 -5.751 1.00 0.00 H new ATOM 0 HA ASN A 106 0.518 -15.469 -7.572 1.00 0.00 H new ATOM 0 HB2 ASN A 106 2.320 -17.454 -7.563 1.00 0.00 H new ATOM 0 HB3 ASN A 106 1.557 -17.845 -6.034 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -0.384 -19.869 -8.291 1.00 0.00 H new ATOM 0 HD22 ASN A 106 1.133 -19.811 -7.388 1.00 0.00 H new ATOM 1280 N HIS A 107 0.476 -14.538 -4.838 1.00 0.00 N ATOM 1281 CA HIS A 107 -0.175 -14.269 -3.567 1.00 0.00 C ATOM 1282 C HIS A 107 -0.214 -12.760 -3.320 1.00 0.00 C ATOM 1283 O HIS A 107 -1.282 -12.150 -3.347 1.00 0.00 O ATOM 1284 CB HIS A 107 0.507 -15.038 -2.434 1.00 0.00 C ATOM 1285 CG HIS A 107 0.164 -16.508 -2.395 1.00 0.00 C ATOM 1286 ND1 HIS A 107 -1.023 -17.152 -2.590 1.00 0.00 N flip ATOM 1287 CD2 HIS A 107 1.102 -17.490 -2.130 1.00 0.00 C flip ATOM 1288 CE1 HIS A 107 -0.820 -18.456 -2.453 1.00 0.00 C flip ATOM 1289 NE2 HIS A 107 0.496 -18.668 -2.167 1.00 0.00 N flip ATOM 0 H HIS A 107 0.996 -13.751 -5.226 1.00 0.00 H new ATOM 0 HA HIS A 107 -1.205 -14.623 -3.600 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.587 -14.930 -2.534 1.00 0.00 H new ATOM 0 HB3 HIS A 107 0.228 -14.585 -1.482 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.150 -17.325 -1.927 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -1.573 -19.223 -2.552 1.00 0.00 H new ATOM 0 HE2 HIS A 107 0.937 -19.574 -2.009 1.00 0.00 H new ATOM 1297 N TYR A 108 0.963 -12.200 -3.084 1.00 0.00 N ATOM 1298 CA TYR A 108 1.077 -10.774 -2.832 1.00 0.00 C ATOM 1299 C TYR A 108 0.369 -9.966 -3.922 1.00 0.00 C ATOM 1300 O TYR A 108 -0.273 -10.536 -4.804 1.00 0.00 O ATOM 1301 CB TYR A 108 2.573 -10.457 -2.870 1.00 0.00 C ATOM 1302 CG TYR A 108 3.439 -11.446 -2.087 1.00 0.00 C ATOM 1303 CD1 TYR A 108 3.434 -11.425 -0.707 1.00 0.00 C ATOM 1304 CD2 TYR A 108 4.224 -12.359 -2.761 1.00 0.00 C ATOM 1305 CE1 TYR A 108 4.249 -12.356 0.030 1.00 0.00 C ATOM 1306 CE2 TYR A 108 5.039 -13.290 -2.024 1.00 0.00 C ATOM 1307 CZ TYR A 108 5.011 -13.243 -0.665 1.00 0.00 C ATOM 1308 OH TYR A 108 5.780 -14.122 0.031 1.00 0.00 O ATOM 0 H TYR A 108 1.847 -12.709 -3.062 1.00 0.00 H new ATOM 0 HA TYR A 108 0.619 -10.516 -1.877 1.00 0.00 H new ATOM 0 HB2 TYR A 108 2.905 -10.442 -3.908 1.00 0.00 H new ATOM 0 HB3 TYR A 108 2.732 -9.455 -2.471 1.00 0.00 H new ATOM 0 HD1 TYR A 108 2.819 -10.711 -0.180 1.00 0.00 H new ATOM 0 HD2 TYR A 108 4.227 -12.375 -3.841 1.00 0.00 H new ATOM 0 HE1 TYR A 108 4.255 -12.350 1.110 1.00 0.00 H new ATOM 0 HE2 TYR A 108 5.659 -14.009 -2.539 1.00 0.00 H new ATOM 0 HH TYR A 108 6.270 -14.695 -0.595 1.00 0.00 H new ATOM 1318 N ASN A 109 0.511 -8.652 -3.827 1.00 0.00 N ATOM 1319 CA ASN A 109 -0.107 -7.761 -4.794 1.00 0.00 C ATOM 1320 C ASN A 109 0.729 -6.485 -4.911 1.00 0.00 C ATOM 1321 O ASN A 109 0.358 -5.444 -4.372 1.00 0.00 O ATOM 1322 CB ASN A 109 -1.517 -7.363 -4.354 1.00 0.00 C ATOM 1323 CG ASN A 109 -2.473 -8.555 -4.433 1.00 0.00 C ATOM 1324 OD1 ASN A 109 -2.503 -9.146 -5.625 1.00 0.00 O flip ATOM 1325 ND2 ASN A 109 -3.139 -8.915 -3.477 1.00 0.00 N flip ATOM 0 H ASN A 109 1.045 -8.183 -3.095 1.00 0.00 H new ATOM 0 HA ASN A 109 -0.161 -8.285 -5.748 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -1.489 -6.982 -3.333 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -1.885 -6.555 -4.986 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -3.068 -8.417 -2.590 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -3.767 -9.714 -3.565 1.00 0.00 H new ATOM 1332 N THR A 110 1.842 -6.608 -5.620 1.00 0.00 N ATOM 1333 CA THR A 110 2.733 -5.477 -5.816 1.00 0.00 C ATOM 1334 C THR A 110 2.068 -4.420 -6.699 1.00 0.00 C ATOM 1335 O THR A 110 2.069 -4.539 -7.923 1.00 0.00 O ATOM 1336 CB THR A 110 4.050 -6.006 -6.388 1.00 0.00 C ATOM 1337 OG1 THR A 110 3.677 -6.588 -7.634 1.00 0.00 O ATOM 1338 CG2 THR A 110 4.609 -7.180 -5.581 1.00 0.00 C ATOM 0 H THR A 110 2.147 -7.473 -6.066 1.00 0.00 H new ATOM 0 HA THR A 110 2.950 -4.976 -4.872 1.00 0.00 H new ATOM 0 HB THR A 110 4.784 -5.201 -6.414 1.00 0.00 H new ATOM 0 HG1 THR A 110 3.160 -5.940 -8.156 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.544 -7.517 -6.029 1.00 0.00 H new ATOM 0 HG22 THR A 110 4.793 -6.861 -4.555 1.00 0.00 H new ATOM 0 HG23 THR A 110 3.889 -7.999 -5.583 1.00 0.00 H new ATOM 1346 N TYR A 111 1.516 -3.409 -6.044 1.00 0.00 N ATOM 1347 CA TYR A 111 0.849 -2.332 -6.754 1.00 0.00 C ATOM 1348 C TYR A 111 1.864 -1.339 -7.323 1.00 0.00 C ATOM 1349 O TYR A 111 3.071 -1.551 -7.218 1.00 0.00 O ATOM 1350 CB TYR A 111 -0.020 -1.617 -5.717 1.00 0.00 C ATOM 1351 CG TYR A 111 -0.818 -2.562 -4.817 1.00 0.00 C ATOM 1352 CD1 TYR A 111 -0.245 -3.067 -3.667 1.00 0.00 C ATOM 1353 CD2 TYR A 111 -2.111 -2.908 -5.153 1.00 0.00 C ATOM 1354 CE1 TYR A 111 -0.996 -3.956 -2.820 1.00 0.00 C ATOM 1355 CE2 TYR A 111 -2.862 -3.798 -4.305 1.00 0.00 C ATOM 1356 CZ TYR A 111 -2.267 -4.278 -3.180 1.00 0.00 C ATOM 1357 OH TYR A 111 -2.977 -5.118 -2.380 1.00 0.00 O ATOM 0 H TYR A 111 1.517 -3.313 -5.028 1.00 0.00 H new ATOM 0 HA TYR A 111 0.267 -2.725 -7.587 1.00 0.00 H new ATOM 0 HB2 TYR A 111 0.618 -0.990 -5.094 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -0.713 -0.953 -6.234 1.00 0.00 H new ATOM 0 HD1 TYR A 111 0.766 -2.795 -3.403 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -2.560 -2.512 -6.052 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -0.559 -4.359 -1.918 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -3.874 -4.078 -4.557 1.00 0.00 H new ATOM 0 HH TYR A 111 -2.534 -5.193 -1.509 1.00 0.00 H new ATOM 1367 N ILE A 112 1.338 -0.276 -7.913 1.00 0.00 N ATOM 1368 CA ILE A 112 2.183 0.751 -8.499 1.00 0.00 C ATOM 1369 C ILE A 112 1.339 1.991 -8.799 1.00 0.00 C ATOM 1370 O ILE A 112 0.296 1.895 -9.444 1.00 0.00 O ATOM 1371 CB ILE A 112 2.925 0.202 -9.719 1.00 0.00 C ATOM 1372 CG1 ILE A 112 4.409 -0.007 -9.410 1.00 0.00 C ATOM 1373 CG2 ILE A 112 2.714 1.101 -10.939 1.00 0.00 C ATOM 1374 CD1 ILE A 112 5.061 -0.924 -10.446 1.00 0.00 C ATOM 0 H ILE A 112 0.336 -0.103 -7.998 1.00 0.00 H new ATOM 0 HA ILE A 112 2.957 1.055 -7.794 1.00 0.00 H new ATOM 0 HB ILE A 112 2.507 -0.775 -9.963 1.00 0.00 H new ATOM 0 HG12 ILE A 112 4.921 0.955 -9.398 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.520 -0.439 -8.416 1.00 0.00 H new ATOM 0 HG21 ILE A 112 3.252 0.688 -11.792 1.00 0.00 H new ATOM 0 HG22 ILE A 112 1.651 1.155 -11.172 1.00 0.00 H new ATOM 0 HG23 ILE A 112 3.089 2.101 -10.723 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.115 -1.056 -10.203 1.00 0.00 H new ATOM 0 HD12 ILE A 112 4.563 -1.893 -10.439 1.00 0.00 H new ATOM 0 HD13 ILE A 112 4.970 -0.477 -11.436 1.00 0.00 H new ATOM 1386 N SER A 113 1.821 3.127 -8.317 1.00 0.00 N ATOM 1387 CA SER A 113 1.124 4.384 -8.526 1.00 0.00 C ATOM 1388 C SER A 113 0.450 4.388 -9.900 1.00 0.00 C ATOM 1389 O SER A 113 1.126 4.452 -10.926 1.00 0.00 O ATOM 1390 CB SER A 113 2.080 5.572 -8.400 1.00 0.00 C ATOM 1391 OG SER A 113 1.383 6.811 -8.298 1.00 0.00 O ATOM 0 H SER A 113 2.686 3.203 -7.782 1.00 0.00 H new ATOM 0 HA SER A 113 0.361 4.483 -7.754 1.00 0.00 H new ATOM 0 HB2 SER A 113 2.711 5.438 -7.521 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.741 5.598 -9.266 1.00 0.00 H new ATOM 0 HG SER A 113 1.358 7.245 -9.176 1.00 0.00 H new ATOM 1397 N LYS A 114 -0.872 4.317 -9.876 1.00 0.00 N ATOM 1398 CA LYS A 114 -1.644 4.311 -11.107 1.00 0.00 C ATOM 1399 C LYS A 114 -1.671 5.724 -11.694 1.00 0.00 C ATOM 1400 O LYS A 114 -1.783 5.894 -12.907 1.00 0.00 O ATOM 1401 CB LYS A 114 -3.034 3.720 -10.865 1.00 0.00 C ATOM 1402 CG LYS A 114 -3.446 2.799 -12.015 1.00 0.00 C ATOM 1403 CD LYS A 114 -4.680 3.343 -12.738 1.00 0.00 C ATOM 1404 CE LYS A 114 -5.105 2.411 -13.875 1.00 0.00 C ATOM 1405 NZ LYS A 114 -4.793 3.020 -15.187 1.00 0.00 N ATOM 0 H LYS A 114 -1.429 4.263 -9.023 1.00 0.00 H new ATOM 0 HA LYS A 114 -1.173 3.666 -11.848 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -3.038 3.162 -9.928 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -3.762 4.525 -10.760 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.621 2.701 -12.720 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -3.656 1.801 -11.629 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -5.501 3.456 -12.030 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -4.465 4.334 -13.137 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -4.592 1.454 -13.780 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.174 2.208 -13.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -5.088 2.375 -15.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -5.302 3.922 -15.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -3.770 3.192 -15.255 1.00 0.00 H new ATOM 1419 N LYS A 115 -1.566 6.702 -10.806 1.00 0.00 N ATOM 1420 CA LYS A 115 -1.577 8.094 -11.221 1.00 0.00 C ATOM 1421 C LYS A 115 -0.309 8.392 -12.024 1.00 0.00 C ATOM 1422 O LYS A 115 -0.188 9.457 -12.627 1.00 0.00 O ATOM 1423 CB LYS A 115 -1.768 9.012 -10.012 1.00 0.00 C ATOM 1424 CG LYS A 115 -2.611 10.235 -10.380 1.00 0.00 C ATOM 1425 CD LYS A 115 -1.849 11.531 -10.098 1.00 0.00 C ATOM 1426 CE LYS A 115 -1.377 12.183 -11.399 1.00 0.00 C ATOM 1427 NZ LYS A 115 -2.537 12.574 -12.233 1.00 0.00 N ATOM 0 H LYS A 115 -1.473 6.557 -9.801 1.00 0.00 H new ATOM 0 HA LYS A 115 -2.425 8.289 -11.878 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -2.252 8.461 -9.206 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -0.796 9.335 -9.639 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -2.882 10.190 -11.435 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -3.541 10.225 -9.811 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -2.490 12.223 -9.552 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -0.991 11.321 -9.460 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -0.771 13.061 -11.174 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -0.742 11.490 -11.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -2.278 13.387 -12.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -2.814 11.775 -12.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -3.334 12.835 -11.618 1.00 0.00 H new ATOM 1441 N HIS A 116 0.604 7.432 -12.006 1.00 0.00 N ATOM 1442 CA HIS A 116 1.858 7.578 -12.726 1.00 0.00 C ATOM 1443 C HIS A 116 2.711 6.324 -12.529 1.00 0.00 C ATOM 1444 O HIS A 116 3.742 6.369 -11.859 1.00 0.00 O ATOM 1445 CB HIS A 116 2.580 8.859 -12.304 1.00 0.00 C ATOM 1446 CG HIS A 116 2.152 9.390 -10.957 1.00 0.00 C ATOM 1447 ND1 HIS A 116 2.135 8.609 -9.814 1.00 0.00 N ATOM 1448 CD2 HIS A 116 1.727 10.631 -10.582 1.00 0.00 C ATOM 1449 CE1 HIS A 116 1.716 9.357 -8.803 1.00 0.00 C ATOM 1450 NE2 HIS A 116 1.464 10.609 -9.281 1.00 0.00 N ATOM 0 H HIS A 116 0.500 6.550 -11.504 1.00 0.00 H new ATOM 0 HA HIS A 116 1.660 7.676 -13.793 1.00 0.00 H new ATOM 0 HB2 HIS A 116 3.653 8.669 -12.284 1.00 0.00 H new ATOM 0 HB3 HIS A 116 2.406 9.627 -13.058 1.00 0.00 H new ATOM 0 HD2 HIS A 116 1.622 11.486 -11.233 1.00 0.00 H new ATOM 0 HE1 HIS A 116 1.595 9.032 -7.780 1.00 0.00 H new ATOM 0 HE2 HIS A 116 1.129 11.399 -8.730 1.00 0.00 H new ATOM 1458 N ALA A 117 2.251 5.234 -13.125 1.00 0.00 N ATOM 1459 CA ALA A 117 2.960 3.969 -13.024 1.00 0.00 C ATOM 1460 C ALA A 117 4.079 3.931 -14.067 1.00 0.00 C ATOM 1461 O ALA A 117 4.855 2.979 -14.115 1.00 0.00 O ATOM 1462 CB ALA A 117 1.970 2.814 -13.189 1.00 0.00 C ATOM 0 H ALA A 117 1.396 5.200 -13.680 1.00 0.00 H new ATOM 0 HA ALA A 117 3.421 3.865 -12.042 1.00 0.00 H new ATOM 0 HB1 ALA A 117 2.502 1.865 -13.113 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.213 2.869 -12.407 1.00 0.00 H new ATOM 0 HB3 ALA A 117 1.489 2.884 -14.165 1.00 0.00 H new ATOM 1468 N GLU A 118 4.126 4.980 -14.875 1.00 0.00 N ATOM 1469 CA GLU A 118 5.137 5.079 -15.914 1.00 0.00 C ATOM 1470 C GLU A 118 6.536 5.086 -15.295 1.00 0.00 C ATOM 1471 O GLU A 118 7.524 4.835 -15.982 1.00 0.00 O ATOM 1472 CB GLU A 118 4.914 6.320 -16.780 1.00 0.00 C ATOM 1473 CG GLU A 118 6.172 6.665 -17.579 1.00 0.00 C ATOM 1474 CD GLU A 118 5.816 7.397 -18.875 1.00 0.00 C ATOM 1475 OE1 GLU A 118 5.606 8.626 -18.792 1.00 0.00 O ATOM 1476 OE2 GLU A 118 5.762 6.710 -19.918 1.00 0.00 O ATOM 0 H GLU A 118 3.481 5.769 -14.831 1.00 0.00 H new ATOM 0 HA GLU A 118 5.052 4.206 -16.561 1.00 0.00 H new ATOM 0 HB2 GLU A 118 4.082 6.147 -17.462 1.00 0.00 H new ATOM 0 HB3 GLU A 118 4.638 7.164 -16.148 1.00 0.00 H new ATOM 0 HG2 GLU A 118 6.831 7.288 -16.975 1.00 0.00 H new ATOM 0 HG3 GLU A 118 6.721 5.752 -17.812 1.00 0.00 H new ATOM 1483 N LYS A 119 6.574 5.377 -14.003 1.00 0.00 N ATOM 1484 CA LYS A 119 7.836 5.420 -13.283 1.00 0.00 C ATOM 1485 C LYS A 119 7.994 4.139 -12.462 1.00 0.00 C ATOM 1486 O LYS A 119 9.003 3.953 -11.783 1.00 0.00 O ATOM 1487 CB LYS A 119 7.934 6.700 -12.450 1.00 0.00 C ATOM 1488 CG LYS A 119 9.149 7.532 -12.864 1.00 0.00 C ATOM 1489 CD LYS A 119 10.351 7.232 -11.965 1.00 0.00 C ATOM 1490 CE LYS A 119 11.583 6.876 -12.798 1.00 0.00 C ATOM 1491 NZ LYS A 119 12.796 7.497 -12.221 1.00 0.00 N ATOM 0 H LYS A 119 5.752 5.585 -13.436 1.00 0.00 H new ATOM 0 HA LYS A 119 8.672 5.456 -13.982 1.00 0.00 H new ATOM 0 HB2 LYS A 119 7.026 7.290 -12.574 1.00 0.00 H new ATOM 0 HB3 LYS A 119 8.006 6.445 -11.393 1.00 0.00 H new ATOM 0 HG2 LYS A 119 9.404 7.318 -13.902 1.00 0.00 H new ATOM 0 HG3 LYS A 119 8.904 8.593 -12.808 1.00 0.00 H new ATOM 0 HD2 LYS A 119 10.568 8.099 -11.341 1.00 0.00 H new ATOM 0 HD3 LYS A 119 10.111 6.408 -11.294 1.00 0.00 H new ATOM 0 HE2 LYS A 119 11.704 5.793 -12.835 1.00 0.00 H new ATOM 0 HE3 LYS A 119 11.446 7.216 -13.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 13.623 7.245 -12.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 12.684 8.531 -12.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 12.934 7.152 -11.250 1.00 0.00 H new ATOM 1505 N ASN A 120 6.982 3.288 -12.551 1.00 0.00 N ATOM 1506 CA ASN A 120 6.996 2.030 -11.825 1.00 0.00 C ATOM 1507 C ASN A 120 6.872 2.310 -10.326 1.00 0.00 C ATOM 1508 O ASN A 120 7.145 1.437 -9.503 1.00 0.00 O ATOM 1509 CB ASN A 120 8.306 1.274 -12.058 1.00 0.00 C ATOM 1510 CG ASN A 120 8.064 -0.010 -12.854 1.00 0.00 C ATOM 1511 OD1 ASN A 120 8.637 -1.053 -12.588 1.00 0.00 O ATOM 1512 ND2 ASN A 120 7.185 0.124 -13.843 1.00 0.00 N ATOM 0 H ASN A 120 6.147 3.445 -13.115 1.00 0.00 H new ATOM 0 HA ASN A 120 6.162 1.425 -12.182 1.00 0.00 H new ATOM 0 HB2 ASN A 120 9.008 1.912 -12.595 1.00 0.00 H new ATOM 0 HB3 ASN A 120 8.765 1.031 -11.100 1.00 0.00 H new ATOM 0 HD21 ASN A 120 6.955 -0.676 -14.433 1.00 0.00 H new ATOM 0 HD22 ASN A 120 6.741 1.027 -14.012 1.00 0.00 H new ATOM 1519 N TRP A 121 6.460 3.530 -10.016 1.00 0.00 N ATOM 1520 CA TRP A 121 6.297 3.936 -8.631 1.00 0.00 C ATOM 1521 C TRP A 121 5.478 2.858 -7.916 1.00 0.00 C ATOM 1522 O TRP A 121 4.286 2.705 -8.177 1.00 0.00 O ATOM 1523 CB TRP A 121 5.665 5.326 -8.537 1.00 0.00 C ATOM 1524 CG TRP A 121 6.619 6.468 -8.896 1.00 0.00 C ATOM 1525 CD1 TRP A 121 7.947 6.411 -9.066 1.00 0.00 C ATOM 1526 CD2 TRP A 121 6.261 7.847 -9.124 1.00 0.00 C ATOM 1527 NE1 TRP A 121 8.469 7.648 -9.386 1.00 0.00 N ATOM 1528 CE2 TRP A 121 7.411 8.549 -9.422 1.00 0.00 C ATOM 1529 CE3 TRP A 121 5.007 8.481 -9.080 1.00 0.00 C ATOM 1530 CZ2 TRP A 121 7.422 9.921 -9.699 1.00 0.00 C ATOM 1531 CZ3 TRP A 121 5.034 9.853 -9.359 1.00 0.00 C ATOM 1532 CH2 TRP A 121 6.184 10.574 -9.661 1.00 0.00 C ATOM 0 H TRP A 121 6.234 4.251 -10.701 1.00 0.00 H new ATOM 0 HA TRP A 121 7.265 4.023 -8.138 1.00 0.00 H new ATOM 0 HB2 TRP A 121 4.800 5.367 -9.199 1.00 0.00 H new ATOM 0 HB3 TRP A 121 5.297 5.479 -7.523 1.00 0.00 H new ATOM 0 HD1 TRP A 121 8.535 5.511 -8.965 1.00 0.00 H new ATOM 0 HE1 TRP A 121 9.450 7.862 -9.563 1.00 0.00 H new ATOM 0 HE3 TRP A 121 4.094 7.951 -8.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 8.336 10.448 -9.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 4.096 10.388 -9.338 1.00 0.00 H new ATOM 0 HH2 TRP A 121 6.123 11.633 -9.865 1.00 0.00 H new ATOM 1543 N PHE A 122 6.151 2.140 -7.029 1.00 0.00 N ATOM 1544 CA PHE A 122 5.501 1.082 -6.275 1.00 0.00 C ATOM 1545 C PHE A 122 4.983 1.603 -4.933 1.00 0.00 C ATOM 1546 O PHE A 122 5.161 2.776 -4.608 1.00 0.00 O ATOM 1547 CB PHE A 122 6.556 0.004 -6.016 1.00 0.00 C ATOM 1548 CG PHE A 122 6.708 -1.004 -7.157 1.00 0.00 C ATOM 1549 CD1 PHE A 122 7.581 -0.757 -8.171 1.00 0.00 C ATOM 1550 CD2 PHE A 122 5.971 -2.147 -7.158 1.00 0.00 C ATOM 1551 CE1 PHE A 122 7.722 -1.693 -9.230 1.00 0.00 C ATOM 1552 CE2 PHE A 122 6.112 -3.082 -8.217 1.00 0.00 C ATOM 1553 CZ PHE A 122 6.985 -2.836 -9.230 1.00 0.00 C ATOM 0 H PHE A 122 7.140 2.270 -6.816 1.00 0.00 H new ATOM 0 HA PHE A 122 4.651 0.694 -6.836 1.00 0.00 H new ATOM 0 HB2 PHE A 122 7.518 0.486 -5.840 1.00 0.00 H new ATOM 0 HB3 PHE A 122 6.296 -0.532 -5.103 1.00 0.00 H new ATOM 0 HD1 PHE A 122 8.167 0.150 -8.171 1.00 0.00 H new ATOM 0 HD2 PHE A 122 5.278 -2.343 -6.353 1.00 0.00 H new ATOM 0 HE1 PHE A 122 8.414 -1.497 -10.035 1.00 0.00 H new ATOM 0 HE2 PHE A 122 5.526 -3.989 -8.218 1.00 0.00 H new ATOM 0 HZ PHE A 122 7.093 -3.548 -10.035 1.00 0.00 H new ATOM 1563 N VAL A 123 4.351 0.707 -4.190 1.00 0.00 N ATOM 1564 CA VAL A 123 3.805 1.061 -2.891 1.00 0.00 C ATOM 1565 C VAL A 123 4.564 0.304 -1.800 1.00 0.00 C ATOM 1566 O VAL A 123 4.134 0.272 -0.648 1.00 0.00 O ATOM 1567 CB VAL A 123 2.299 0.796 -2.866 1.00 0.00 C ATOM 1568 CG1 VAL A 123 1.994 -0.666 -3.198 1.00 0.00 C ATOM 1569 CG2 VAL A 123 1.695 1.190 -1.517 1.00 0.00 C ATOM 0 H VAL A 123 4.205 -0.265 -4.463 1.00 0.00 H new ATOM 0 HA VAL A 123 3.937 2.126 -2.699 1.00 0.00 H new ATOM 0 HB VAL A 123 1.837 1.417 -3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 123 0.916 -0.828 -3.173 1.00 0.00 H new ATOM 0 HG12 VAL A 123 2.373 -0.900 -4.193 1.00 0.00 H new ATOM 0 HG13 VAL A 123 2.475 -1.314 -2.465 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.623 0.991 -1.526 1.00 0.00 H new ATOM 0 HG22 VAL A 123 2.165 0.608 -0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 123 1.866 2.252 -1.338 1.00 0.00 H new ATOM 1579 N GLY A 124 5.680 -0.288 -2.201 1.00 0.00 N ATOM 1580 CA GLY A 124 6.502 -1.043 -1.271 1.00 0.00 C ATOM 1581 C GLY A 124 7.460 -0.122 -0.513 1.00 0.00 C ATOM 1582 O GLY A 124 8.488 0.288 -1.049 1.00 0.00 O ATOM 0 H GLY A 124 6.034 -0.260 -3.157 1.00 0.00 H new ATOM 0 HA2 GLY A 124 5.864 -1.572 -0.563 1.00 0.00 H new ATOM 0 HA3 GLY A 124 7.071 -1.798 -1.813 1.00 0.00 H new ATOM 1586 N LEU A 125 7.087 0.177 0.723 1.00 0.00 N ATOM 1587 CA LEU A 125 7.900 1.043 1.561 1.00 0.00 C ATOM 1588 C LEU A 125 9.292 0.429 1.721 1.00 0.00 C ATOM 1589 O LEU A 125 9.429 -0.684 2.226 1.00 0.00 O ATOM 1590 CB LEU A 125 7.193 1.320 2.890 1.00 0.00 C ATOM 1591 CG LEU A 125 5.752 1.825 2.790 1.00 0.00 C ATOM 1592 CD1 LEU A 125 4.771 0.798 3.358 1.00 0.00 C ATOM 1593 CD2 LEU A 125 5.604 3.192 3.462 1.00 0.00 C ATOM 0 H LEU A 125 6.233 -0.165 1.164 1.00 0.00 H new ATOM 0 HA LEU A 125 8.033 2.016 1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 125 7.196 0.402 3.478 1.00 0.00 H new ATOM 0 HB3 LEU A 125 7.777 2.055 3.443 1.00 0.00 H new ATOM 0 HG LEU A 125 5.507 1.955 1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 125 3.754 1.181 3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 125 4.854 -0.133 2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 125 5.004 0.613 4.407 1.00 0.00 H new ATOM 0 HD21 LEU A 125 4.571 3.529 3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 125 5.874 3.111 4.515 1.00 0.00 H new ATOM 0 HD23 LEU A 125 6.261 3.911 2.973 1.00 0.00 H new ATOM 1605 N LYS A 126 10.290 1.183 1.282 1.00 0.00 N ATOM 1606 CA LYS A 126 11.667 0.727 1.371 1.00 0.00 C ATOM 1607 C LYS A 126 11.788 -0.299 2.499 1.00 0.00 C ATOM 1608 O LYS A 126 11.562 0.024 3.664 1.00 0.00 O ATOM 1609 CB LYS A 126 12.617 1.917 1.517 1.00 0.00 C ATOM 1610 CG LYS A 126 14.046 1.529 1.131 1.00 0.00 C ATOM 1611 CD LYS A 126 15.065 2.453 1.801 1.00 0.00 C ATOM 1612 CE LYS A 126 16.381 1.719 2.065 1.00 0.00 C ATOM 1613 NZ LYS A 126 17.530 2.540 1.623 1.00 0.00 N ATOM 0 H LYS A 126 10.172 2.106 0.864 1.00 0.00 H new ATOM 0 HA LYS A 126 11.962 0.225 0.450 1.00 0.00 H new ATOM 0 HB2 LYS A 126 12.276 2.738 0.886 1.00 0.00 H new ATOM 0 HB3 LYS A 126 12.599 2.277 2.546 1.00 0.00 H new ATOM 0 HG2 LYS A 126 14.238 0.497 1.424 1.00 0.00 H new ATOM 0 HG3 LYS A 126 14.161 1.580 0.048 1.00 0.00 H new ATOM 0 HD2 LYS A 126 15.249 3.319 1.165 1.00 0.00 H new ATOM 0 HD3 LYS A 126 14.659 2.828 2.740 1.00 0.00 H new ATOM 0 HE2 LYS A 126 16.473 1.496 3.128 1.00 0.00 H new ATOM 0 HE3 LYS A 126 16.384 0.765 1.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 18.415 2.027 1.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 17.449 2.731 0.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 17.535 3.440 2.145 1.00 0.00 H new ATOM 1627 N LYS A 127 12.146 -1.515 2.114 1.00 0.00 N ATOM 1628 CA LYS A 127 12.300 -2.591 3.079 1.00 0.00 C ATOM 1629 C LYS A 127 13.436 -2.245 4.044 1.00 0.00 C ATOM 1630 O LYS A 127 14.422 -2.975 4.134 1.00 0.00 O ATOM 1631 CB LYS A 127 12.487 -3.930 2.363 1.00 0.00 C ATOM 1632 CG LYS A 127 13.362 -3.769 1.118 1.00 0.00 C ATOM 1633 CD LYS A 127 14.606 -2.934 1.426 1.00 0.00 C ATOM 1634 CE LYS A 127 15.434 -2.697 0.162 1.00 0.00 C ATOM 1635 NZ LYS A 127 16.810 -2.280 0.514 1.00 0.00 N ATOM 0 H LYS A 127 12.334 -1.779 1.147 1.00 0.00 H new ATOM 0 HA LYS A 127 11.395 -2.700 3.677 1.00 0.00 H new ATOM 0 HB2 LYS A 127 12.944 -4.649 3.043 1.00 0.00 H new ATOM 0 HB3 LYS A 127 11.515 -4.333 2.079 1.00 0.00 H new ATOM 0 HG2 LYS A 127 13.661 -4.750 0.750 1.00 0.00 H new ATOM 0 HG3 LYS A 127 12.787 -3.292 0.324 1.00 0.00 H new ATOM 0 HD2 LYS A 127 14.309 -1.977 1.855 1.00 0.00 H new ATOM 0 HD3 LYS A 127 15.214 -3.443 2.173 1.00 0.00 H new ATOM 0 HE2 LYS A 127 15.465 -3.608 -0.435 1.00 0.00 H new ATOM 0 HE3 LYS A 127 14.961 -1.930 -0.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 17.358 -2.123 -0.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 16.775 -1.399 1.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 17.264 -3.025 1.080 1.00 0.00 H new ATOM 1649 N ASN A 128 13.261 -1.132 4.740 1.00 0.00 N ATOM 1650 CA ASN A 128 14.259 -0.681 5.695 1.00 0.00 C ATOM 1651 C ASN A 128 13.557 -0.113 6.930 1.00 0.00 C ATOM 1652 O ASN A 128 13.955 -0.396 8.059 1.00 0.00 O ATOM 1653 CB ASN A 128 15.132 0.425 5.097 1.00 0.00 C ATOM 1654 CG ASN A 128 16.594 0.256 5.518 1.00 0.00 C ATOM 1655 OD1 ASN A 128 17.070 0.867 6.460 1.00 0.00 O ATOM 1656 ND2 ASN A 128 17.276 -0.604 4.767 1.00 0.00 N ATOM 0 H ASN A 128 12.442 -0.528 4.662 1.00 0.00 H new ATOM 0 HA ASN A 128 14.885 -1.534 5.957 1.00 0.00 H new ATOM 0 HB2 ASN A 128 15.058 0.404 4.010 1.00 0.00 H new ATOM 0 HB3 ASN A 128 14.766 1.399 5.423 1.00 0.00 H new ATOM 0 HD21 ASN A 128 18.260 -0.786 4.965 1.00 0.00 H new ATOM 0 HD22 ASN A 128 16.815 -1.082 3.993 1.00 0.00 H new ATOM 1663 N GLY A 129 12.525 0.677 6.674 1.00 0.00 N ATOM 1664 CA GLY A 129 11.764 1.287 7.752 1.00 0.00 C ATOM 1665 C GLY A 129 11.480 2.761 7.456 1.00 0.00 C ATOM 1666 O GLY A 129 11.827 3.635 8.250 1.00 0.00 O ATOM 0 H GLY A 129 12.198 0.909 5.736 1.00 0.00 H new ATOM 0 HA2 GLY A 129 10.824 0.752 7.887 1.00 0.00 H new ATOM 0 HA3 GLY A 129 12.317 1.200 8.687 1.00 0.00 H new ATOM 1670 N SER A 130 10.852 2.992 6.313 1.00 0.00 N ATOM 1671 CA SER A 130 10.518 4.346 5.903 1.00 0.00 C ATOM 1672 C SER A 130 10.066 4.353 4.442 1.00 0.00 C ATOM 1673 O SER A 130 10.578 3.588 3.626 1.00 0.00 O ATOM 1674 CB SER A 130 11.707 5.289 6.096 1.00 0.00 C ATOM 1675 OG SER A 130 11.721 5.870 7.397 1.00 0.00 O ATOM 0 H SER A 130 10.565 2.265 5.658 1.00 0.00 H new ATOM 0 HA SER A 130 9.701 4.702 6.531 1.00 0.00 H new ATOM 0 HB2 SER A 130 12.635 4.741 5.934 1.00 0.00 H new ATOM 0 HB3 SER A 130 11.669 6.079 5.346 1.00 0.00 H new ATOM 0 HG SER A 130 11.780 5.161 8.071 1.00 0.00 H new ATOM 1681 N CYS A 131 9.111 5.226 4.155 1.00 0.00 N ATOM 1682 CA CYS A 131 8.585 5.344 2.806 1.00 0.00 C ATOM 1683 C CYS A 131 9.667 5.964 1.920 1.00 0.00 C ATOM 1684 O CYS A 131 10.616 6.564 2.422 1.00 0.00 O ATOM 1685 CB CYS A 131 7.287 6.154 2.774 1.00 0.00 C ATOM 1686 SG CYS A 131 6.453 5.936 1.159 1.00 0.00 S ATOM 0 H CYS A 131 8.688 5.858 4.834 1.00 0.00 H new ATOM 0 HA CYS A 131 8.329 4.355 2.425 1.00 0.00 H new ATOM 0 HB2 CYS A 131 6.627 5.832 3.580 1.00 0.00 H new ATOM 0 HB3 CYS A 131 7.503 7.209 2.942 1.00 0.00 H new ATOM 0 HG CYS A 131 7.138 6.537 0.232 1.00 0.00 H new ATOM 1692 N LYS A 132 9.487 5.799 0.618 1.00 0.00 N ATOM 1693 CA LYS A 132 10.436 6.335 -0.342 1.00 0.00 C ATOM 1694 C LYS A 132 9.682 7.136 -1.406 1.00 0.00 C ATOM 1695 O LYS A 132 8.563 6.784 -1.775 1.00 0.00 O ATOM 1696 CB LYS A 132 11.307 5.216 -0.918 1.00 0.00 C ATOM 1697 CG LYS A 132 12.773 5.402 -0.522 1.00 0.00 C ATOM 1698 CD LYS A 132 13.621 4.215 -0.984 1.00 0.00 C ATOM 1699 CE LYS A 132 14.975 4.685 -1.518 1.00 0.00 C ATOM 1700 NZ LYS A 132 15.478 5.827 -0.723 1.00 0.00 N ATOM 0 H LYS A 132 8.698 5.302 0.206 1.00 0.00 H new ATOM 0 HA LYS A 132 11.125 7.023 0.148 1.00 0.00 H new ATOM 0 HB2 LYS A 132 10.949 4.251 -0.559 1.00 0.00 H new ATOM 0 HB3 LYS A 132 11.219 5.205 -2.004 1.00 0.00 H new ATOM 0 HG2 LYS A 132 13.158 6.322 -0.962 1.00 0.00 H new ATOM 0 HG3 LYS A 132 12.850 5.509 0.560 1.00 0.00 H new ATOM 0 HD2 LYS A 132 13.773 3.526 -0.153 1.00 0.00 H new ATOM 0 HD3 LYS A 132 13.090 3.665 -1.761 1.00 0.00 H new ATOM 0 HE2 LYS A 132 15.692 3.865 -1.481 1.00 0.00 H new ATOM 0 HE3 LYS A 132 14.879 4.977 -2.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 16.502 5.929 -0.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 14.996 6.698 -1.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 15.289 5.658 0.286 1.00 0.00 H new ATOM 1714 N ARG A 133 10.326 8.198 -1.867 1.00 0.00 N ATOM 1715 CA ARG A 133 9.730 9.052 -2.881 1.00 0.00 C ATOM 1716 C ARG A 133 9.437 8.247 -4.148 1.00 0.00 C ATOM 1717 O ARG A 133 9.860 7.099 -4.270 1.00 0.00 O ATOM 1718 CB ARG A 133 10.654 10.221 -3.229 1.00 0.00 C ATOM 1719 CG ARG A 133 9.847 11.450 -3.653 1.00 0.00 C ATOM 1720 CD ARG A 133 10.109 12.628 -2.713 1.00 0.00 C ATOM 1721 NE ARG A 133 9.931 13.905 -3.440 1.00 0.00 N ATOM 1722 CZ ARG A 133 9.972 15.112 -2.859 1.00 0.00 C ATOM 1723 NH1 ARG A 133 10.186 15.215 -1.540 1.00 0.00 N ATOM 1724 NH2 ARG A 133 9.800 16.217 -3.598 1.00 0.00 N ATOM 0 H ARG A 133 11.254 8.487 -1.557 1.00 0.00 H new ATOM 0 HA ARG A 133 8.799 9.448 -2.475 1.00 0.00 H new ATOM 0 HB2 ARG A 133 11.274 10.468 -2.367 1.00 0.00 H new ATOM 0 HB3 ARG A 133 11.329 9.929 -4.034 1.00 0.00 H new ATOM 0 HG2 ARG A 133 10.111 11.729 -4.673 1.00 0.00 H new ATOM 0 HG3 ARG A 133 8.784 11.209 -3.653 1.00 0.00 H new ATOM 0 HD2 ARG A 133 9.427 12.585 -1.864 1.00 0.00 H new ATOM 0 HD3 ARG A 133 11.121 12.566 -2.312 1.00 0.00 H new ATOM 0 HE ARG A 133 9.767 13.864 -4.446 1.00 0.00 H new ATOM 0 HH11 ARG A 133 10.318 14.374 -0.978 1.00 0.00 H new ATOM 0 HH12 ARG A 133 10.217 16.134 -1.099 1.00 0.00 H new ATOM 0 HH21 ARG A 133 9.638 16.139 -4.602 1.00 0.00 H new ATOM 0 HH22 ARG A 133 9.831 17.136 -3.156 1.00 0.00 H new ATOM 1738 N GLY A 134 8.715 8.881 -5.060 1.00 0.00 N ATOM 1739 CA GLY A 134 8.361 8.238 -6.314 1.00 0.00 C ATOM 1740 C GLY A 134 9.563 7.508 -6.914 1.00 0.00 C ATOM 1741 O GLY A 134 9.527 6.292 -7.098 1.00 0.00 O ATOM 0 H GLY A 134 8.365 9.834 -4.956 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.548 7.531 -6.148 1.00 0.00 H new ATOM 0 HA3 GLY A 134 7.995 8.985 -7.019 1.00 0.00 H new ATOM 1745 N PRO A 135 10.628 8.300 -7.212 1.00 0.00 N ATOM 1746 CA PRO A 135 11.839 7.742 -7.788 1.00 0.00 C ATOM 1747 C PRO A 135 12.651 6.988 -6.732 1.00 0.00 C ATOM 1748 O PRO A 135 13.841 7.246 -6.558 1.00 0.00 O ATOM 1749 CB PRO A 135 12.583 8.933 -8.370 1.00 0.00 C ATOM 1750 CG PRO A 135 11.995 10.162 -7.697 1.00 0.00 C ATOM 1751 CD PRO A 135 10.706 9.744 -7.008 1.00 0.00 C ATOM 0 HA PRO A 135 11.635 7.001 -8.561 1.00 0.00 H new ATOM 0 HB2 PRO A 135 13.653 8.857 -8.177 1.00 0.00 H new ATOM 0 HB3 PRO A 135 12.456 8.982 -9.452 1.00 0.00 H new ATOM 0 HG2 PRO A 135 12.698 10.574 -6.973 1.00 0.00 H new ATOM 0 HG3 PRO A 135 11.799 10.943 -8.432 1.00 0.00 H new ATOM 0 HD2 PRO A 135 10.725 9.994 -5.947 1.00 0.00 H new ATOM 0 HD3 PRO A 135 9.844 10.252 -7.439 1.00 0.00 H new ATOM 1759 N ARG A 136 11.975 6.072 -6.055 1.00 0.00 N ATOM 1760 CA ARG A 136 12.619 5.279 -5.021 1.00 0.00 C ATOM 1761 C ARG A 136 11.753 4.069 -4.664 1.00 0.00 C ATOM 1762 O ARG A 136 11.801 3.578 -3.537 1.00 0.00 O ATOM 1763 CB ARG A 136 12.865 6.111 -3.762 1.00 0.00 C ATOM 1764 CG ARG A 136 14.120 6.973 -3.910 1.00 0.00 C ATOM 1765 CD ARG A 136 13.755 8.419 -4.252 1.00 0.00 C ATOM 1766 NE ARG A 136 14.851 9.049 -5.022 1.00 0.00 N ATOM 1767 CZ ARG A 136 15.059 10.371 -5.088 1.00 0.00 C ATOM 1768 NH1 ARG A 136 14.248 11.211 -4.430 1.00 0.00 N ATOM 1769 NH2 ARG A 136 16.079 10.854 -5.811 1.00 0.00 N ATOM 0 H ARG A 136 10.988 5.861 -6.202 1.00 0.00 H new ATOM 0 HA ARG A 136 13.579 4.941 -5.412 1.00 0.00 H new ATOM 0 HB2 ARG A 136 12.002 6.749 -3.569 1.00 0.00 H new ATOM 0 HB3 ARG A 136 12.972 5.451 -2.901 1.00 0.00 H new ATOM 0 HG2 ARG A 136 14.694 6.948 -2.984 1.00 0.00 H new ATOM 0 HG3 ARG A 136 14.759 6.561 -4.691 1.00 0.00 H new ATOM 0 HD2 ARG A 136 12.832 8.442 -4.831 1.00 0.00 H new ATOM 0 HD3 ARG A 136 13.571 8.983 -3.337 1.00 0.00 H new ATOM 0 HE ARG A 136 15.488 8.439 -5.534 1.00 0.00 H new ATOM 0 HH11 ARG A 136 13.472 10.844 -3.879 1.00 0.00 H new ATOM 0 HH12 ARG A 136 14.407 12.217 -4.480 1.00 0.00 H new ATOM 0 HH21 ARG A 136 16.697 10.215 -6.311 1.00 0.00 H new ATOM 0 HH22 ARG A 136 16.237 11.860 -5.861 1.00 0.00 H new ATOM 1783 N THR A 137 10.981 3.623 -5.645 1.00 0.00 N ATOM 1784 CA THR A 137 10.106 2.481 -5.448 1.00 0.00 C ATOM 1785 C THR A 137 10.069 1.613 -6.707 1.00 0.00 C ATOM 1786 O THR A 137 9.340 1.913 -7.651 1.00 0.00 O ATOM 1787 CB THR A 137 8.730 3.005 -5.031 1.00 0.00 C ATOM 1788 OG1 THR A 137 8.134 3.426 -6.255 1.00 0.00 O ATOM 1789 CG2 THR A 137 8.819 4.287 -4.200 1.00 0.00 C ATOM 0 H THR A 137 10.944 4.033 -6.578 1.00 0.00 H new ATOM 0 HA THR A 137 10.477 1.832 -4.655 1.00 0.00 H new ATOM 0 HB THR A 137 8.207 2.238 -4.460 1.00 0.00 H new ATOM 0 HG1 THR A 137 8.802 3.395 -6.972 1.00 0.00 H new ATOM 0 HG21 THR A 137 7.815 4.616 -3.930 1.00 0.00 H new ATOM 0 HG22 THR A 137 9.393 4.094 -3.294 1.00 0.00 H new ATOM 0 HG23 THR A 137 9.312 5.065 -4.783 1.00 0.00 H new ATOM 1797 N HIS A 138 10.866 0.555 -6.681 1.00 0.00 N ATOM 1798 CA HIS A 138 10.934 -0.358 -7.810 1.00 0.00 C ATOM 1799 C HIS A 138 11.068 -1.795 -7.300 1.00 0.00 C ATOM 1800 O HIS A 138 11.193 -2.021 -6.098 1.00 0.00 O ATOM 1801 CB HIS A 138 12.062 0.040 -8.764 1.00 0.00 C ATOM 1802 CG HIS A 138 12.323 1.527 -8.819 1.00 0.00 C ATOM 1803 ND1 HIS A 138 12.791 2.247 -7.734 1.00 0.00 N ATOM 1804 CD2 HIS A 138 12.177 2.420 -9.840 1.00 0.00 C ATOM 1805 CE1 HIS A 138 12.917 3.515 -8.096 1.00 0.00 C ATOM 1806 NE2 HIS A 138 12.535 3.620 -9.401 1.00 0.00 N ATOM 0 H HIS A 138 11.470 0.309 -5.897 1.00 0.00 H new ATOM 0 HA HIS A 138 10.011 -0.298 -8.387 1.00 0.00 H new ATOM 0 HB2 HIS A 138 12.977 -0.468 -8.461 1.00 0.00 H new ATOM 0 HB3 HIS A 138 11.818 -0.313 -9.766 1.00 0.00 H new ATOM 0 HD2 HIS A 138 11.829 2.189 -10.836 1.00 0.00 H new ATOM 0 HE1 HIS A 138 13.262 4.323 -7.468 1.00 0.00 H new ATOM 0 HE2 HIS A 138 12.526 4.480 -9.950 1.00 0.00 H new ATOM 1814 N TYR A 139 11.039 -2.727 -8.241 1.00 0.00 N ATOM 1815 CA TYR A 139 11.156 -4.135 -7.902 1.00 0.00 C ATOM 1816 C TYR A 139 12.415 -4.397 -7.074 1.00 0.00 C ATOM 1817 O TYR A 139 13.018 -3.466 -6.542 1.00 0.00 O ATOM 1818 CB TYR A 139 11.271 -4.881 -9.233 1.00 0.00 C ATOM 1819 CG TYR A 139 10.173 -5.923 -9.460 1.00 0.00 C ATOM 1820 CD1 TYR A 139 8.899 -5.698 -8.980 1.00 0.00 C ATOM 1821 CD2 TYR A 139 10.458 -7.087 -10.144 1.00 0.00 C ATOM 1822 CE1 TYR A 139 7.866 -6.678 -9.193 1.00 0.00 C ATOM 1823 CE2 TYR A 139 9.425 -8.068 -10.357 1.00 0.00 C ATOM 1824 CZ TYR A 139 8.180 -7.815 -9.871 1.00 0.00 C ATOM 1825 OH TYR A 139 7.205 -8.741 -10.073 1.00 0.00 O ATOM 0 H TYR A 139 10.936 -2.535 -9.237 1.00 0.00 H new ATOM 0 HA TYR A 139 10.299 -4.460 -7.313 1.00 0.00 H new ATOM 0 HB2 TYR A 139 11.244 -4.157 -10.047 1.00 0.00 H new ATOM 0 HB3 TYR A 139 12.241 -5.375 -9.278 1.00 0.00 H new ATOM 0 HD1 TYR A 139 8.677 -4.787 -8.445 1.00 0.00 H new ATOM 0 HD2 TYR A 139 11.455 -7.262 -10.520 1.00 0.00 H new ATOM 0 HE1 TYR A 139 6.865 -6.514 -8.823 1.00 0.00 H new ATOM 0 HE2 TYR A 139 9.634 -8.983 -10.890 1.00 0.00 H new ATOM 0 HH TYR A 139 7.573 -9.500 -10.572 1.00 0.00 H new ATOM 1891 N ILE A 144 7.411 -4.092 -1.900 1.00 0.00 N ATOM 1892 CA ILE A 144 6.231 -3.981 -2.741 1.00 0.00 C ATOM 1893 C ILE A 144 5.328 -5.194 -2.507 1.00 0.00 C ATOM 1894 O ILE A 144 4.107 -5.094 -2.620 1.00 0.00 O ATOM 1895 CB ILE A 144 6.633 -3.787 -4.204 1.00 0.00 C ATOM 1896 CG1 ILE A 144 7.225 -5.073 -4.786 1.00 0.00 C ATOM 1897 CG2 ILE A 144 7.582 -2.598 -4.359 1.00 0.00 C ATOM 1898 CD1 ILE A 144 8.017 -4.783 -6.063 1.00 0.00 C ATOM 0 HA ILE A 144 5.653 -3.096 -2.473 1.00 0.00 H new ATOM 0 HB ILE A 144 5.734 -3.558 -4.777 1.00 0.00 H new ATOM 0 HG12 ILE A 144 7.876 -5.544 -4.049 1.00 0.00 H new ATOM 0 HG13 ILE A 144 6.425 -5.780 -5.003 1.00 0.00 H new ATOM 0 HG21 ILE A 144 7.852 -2.482 -5.409 1.00 0.00 H new ATOM 0 HG22 ILE A 144 7.089 -1.691 -4.009 1.00 0.00 H new ATOM 0 HG23 ILE A 144 8.482 -2.772 -3.770 1.00 0.00 H new ATOM 0 HD11 ILE A 144 8.427 -5.713 -6.456 1.00 0.00 H new ATOM 0 HD12 ILE A 144 7.358 -4.334 -6.806 1.00 0.00 H new ATOM 0 HD13 ILE A 144 8.831 -4.094 -5.838 1.00 0.00 H new ATOM 1910 N LEU A 145 5.963 -6.311 -2.185 1.00 0.00 N ATOM 1911 CA LEU A 145 5.231 -7.541 -1.934 1.00 0.00 C ATOM 1912 C LEU A 145 4.413 -7.390 -0.650 1.00 0.00 C ATOM 1913 O LEU A 145 4.974 -7.278 0.439 1.00 0.00 O ATOM 1914 CB LEU A 145 6.185 -8.738 -1.918 1.00 0.00 C ATOM 1915 CG LEU A 145 6.809 -9.116 -3.262 1.00 0.00 C ATOM 1916 CD1 LEU A 145 8.224 -9.667 -3.074 1.00 0.00 C ATOM 1917 CD2 LEU A 145 5.912 -10.090 -4.029 1.00 0.00 C ATOM 0 H LEU A 145 6.976 -6.390 -2.092 1.00 0.00 H new ATOM 0 HA LEU A 145 4.525 -7.736 -2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 145 6.989 -8.527 -1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 145 5.644 -9.603 -1.535 1.00 0.00 H new ATOM 0 HG LEU A 145 6.893 -8.212 -3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 145 8.645 -9.928 -4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 145 8.849 -8.911 -2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 145 8.188 -10.555 -2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 145 6.379 -10.342 -4.981 1.00 0.00 H new ATOM 0 HD22 LEU A 145 5.774 -10.997 -3.441 1.00 0.00 H new ATOM 0 HD23 LEU A 145 4.943 -9.625 -4.212 1.00 0.00 H new ATOM 1929 N PHE A 146 3.099 -7.392 -0.820 1.00 0.00 N ATOM 1930 CA PHE A 146 2.198 -7.257 0.312 1.00 0.00 C ATOM 1931 C PHE A 146 1.320 -8.500 0.466 1.00 0.00 C ATOM 1932 O PHE A 146 0.525 -8.817 -0.417 1.00 0.00 O ATOM 1933 CB PHE A 146 1.303 -6.048 0.029 1.00 0.00 C ATOM 1934 CG PHE A 146 1.916 -4.709 0.445 1.00 0.00 C ATOM 1935 CD1 PHE A 146 2.624 -4.616 1.603 1.00 0.00 C ATOM 1936 CD2 PHE A 146 1.753 -3.613 -0.342 1.00 0.00 C ATOM 1937 CE1 PHE A 146 3.193 -3.374 1.989 1.00 0.00 C ATOM 1938 CE2 PHE A 146 2.322 -2.370 0.044 1.00 0.00 C ATOM 1939 CZ PHE A 146 3.030 -2.277 1.202 1.00 0.00 C ATOM 0 H PHE A 146 2.637 -7.485 -1.724 1.00 0.00 H new ATOM 0 HA PHE A 146 2.771 -7.134 1.231 1.00 0.00 H new ATOM 0 HB2 PHE A 146 1.078 -6.017 -1.037 1.00 0.00 H new ATOM 0 HB3 PHE A 146 0.355 -6.180 0.551 1.00 0.00 H new ATOM 0 HD1 PHE A 146 2.753 -5.487 2.229 1.00 0.00 H new ATOM 0 HD2 PHE A 146 1.191 -3.687 -1.261 1.00 0.00 H new ATOM 0 HE1 PHE A 146 3.756 -3.300 2.908 1.00 0.00 H new ATOM 0 HE2 PHE A 146 2.193 -1.499 -0.582 1.00 0.00 H new ATOM 0 HZ PHE A 146 3.463 -1.332 1.496 1.00 0.00 H new ATOM 1949 N LEU A 147 1.495 -9.172 1.594 1.00 0.00 N ATOM 1950 CA LEU A 147 0.729 -10.375 1.876 1.00 0.00 C ATOM 1951 C LEU A 147 -0.330 -10.063 2.936 1.00 0.00 C ATOM 1952 O LEU A 147 -0.013 -9.940 4.118 1.00 0.00 O ATOM 1953 CB LEU A 147 1.661 -11.527 2.257 1.00 0.00 C ATOM 1954 CG LEU A 147 1.096 -12.936 2.070 1.00 0.00 C ATOM 1955 CD1 LEU A 147 0.303 -13.377 3.303 1.00 0.00 C ATOM 1956 CD2 LEU A 147 0.263 -13.028 0.790 1.00 0.00 C ATOM 0 H LEU A 147 2.156 -8.907 2.324 1.00 0.00 H new ATOM 0 HA LEU A 147 0.199 -10.707 0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 147 2.573 -11.441 1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 147 1.946 -11.407 3.302 1.00 0.00 H new ATOM 0 HG LEU A 147 1.932 -13.627 1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -0.088 -14.382 3.144 1.00 0.00 H new ATOM 0 HD12 LEU A 147 0.956 -13.376 4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -0.525 -12.688 3.469 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -0.127 -14.040 0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -0.567 -12.324 0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 147 0.888 -12.786 -0.069 1.00 0.00 H new ATOM 1968 N PRO A 148 -1.599 -9.942 2.462 1.00 0.00 N ATOM 1969 CA PRO A 148 -2.706 -9.647 3.355 1.00 0.00 C ATOM 1970 C PRO A 148 -3.093 -10.880 4.174 1.00 0.00 C ATOM 1971 O PRO A 148 -3.035 -12.004 3.676 1.00 0.00 O ATOM 1972 CB PRO A 148 -3.825 -9.161 2.448 1.00 0.00 C ATOM 1973 CG PRO A 148 -3.466 -9.640 1.051 1.00 0.00 C ATOM 1974 CD PRO A 148 -2.011 -10.081 1.068 1.00 0.00 C ATOM 0 HA PRO A 148 -2.457 -8.889 4.098 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -4.787 -9.564 2.764 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -3.909 -8.075 2.479 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -4.112 -10.466 0.753 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -3.614 -8.842 0.324 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -1.905 -11.110 0.724 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -1.401 -9.461 0.411 1.00 0.00 H new ATOM 1982 N LEU A 149 -3.479 -10.629 5.416 1.00 0.00 N ATOM 1983 CA LEU A 149 -3.876 -11.705 6.309 1.00 0.00 C ATOM 1984 C LEU A 149 -5.157 -11.306 7.043 1.00 0.00 C ATOM 1985 O LEU A 149 -5.165 -11.191 8.268 1.00 0.00 O ATOM 1986 CB LEU A 149 -2.723 -12.079 7.242 1.00 0.00 C ATOM 1987 CG LEU A 149 -1.696 -10.978 7.514 1.00 0.00 C ATOM 1988 CD1 LEU A 149 -1.181 -11.051 8.953 1.00 0.00 C ATOM 1989 CD2 LEU A 149 -0.556 -11.027 6.494 1.00 0.00 C ATOM 0 H LEU A 149 -3.525 -9.696 5.826 1.00 0.00 H new ATOM 0 HA LEU A 149 -4.102 -12.608 5.742 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -3.143 -12.400 8.195 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -2.202 -12.937 6.818 1.00 0.00 H new ATOM 0 HG LEU A 149 -2.191 -10.014 7.398 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -0.453 -10.257 9.119 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -2.015 -10.929 9.644 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -0.708 -12.019 9.122 1.00 0.00 H new ATOM 0 HD21 LEU A 149 0.160 -10.234 6.710 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -0.056 -11.994 6.554 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -0.959 -10.888 5.491 1.00 0.00 H new ATOM 2001 N PRO A 150 -6.238 -11.101 6.244 1.00 0.00 N ATOM 2002 CA PRO A 150 -7.522 -10.718 6.805 1.00 0.00 C ATOM 2003 C PRO A 150 -8.204 -11.911 7.479 1.00 0.00 C ATOM 2004 O PRO A 150 -7.684 -13.025 7.450 1.00 0.00 O ATOM 2005 CB PRO A 150 -8.316 -10.166 5.631 1.00 0.00 C ATOM 2006 CG PRO A 150 -7.626 -10.686 4.381 1.00 0.00 C ATOM 2007 CD PRO A 150 -6.266 -11.229 4.789 1.00 0.00 C ATOM 0 HA PRO A 150 -7.430 -9.971 7.593 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -9.354 -10.497 5.671 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -8.328 -9.076 5.646 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -8.224 -11.468 3.912 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -7.514 -9.888 3.647 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -6.145 -12.267 4.480 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -5.458 -10.663 4.326 1.00 0.00 H new ATOM 2015 N VAL A 151 -9.357 -11.635 8.070 1.00 0.00 N ATOM 2016 CA VAL A 151 -10.116 -12.672 8.750 1.00 0.00 C ATOM 2017 C VAL A 151 -11.423 -12.078 9.278 1.00 0.00 C ATOM 2018 O VAL A 151 -11.813 -12.339 10.415 1.00 0.00 O ATOM 2019 CB VAL A 151 -9.262 -13.309 9.849 1.00 0.00 C ATOM 2020 CG1 VAL A 151 -8.565 -14.572 9.338 1.00 0.00 C ATOM 2021 CG2 VAL A 151 -8.246 -12.308 10.404 1.00 0.00 C ATOM 0 H VAL A 151 -9.784 -10.709 8.092 1.00 0.00 H new ATOM 0 HA VAL A 151 -10.379 -13.471 8.056 1.00 0.00 H new ATOM 0 HB VAL A 151 -9.926 -13.599 10.664 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -7.965 -15.005 10.138 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -9.314 -15.295 9.014 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -7.920 -14.317 8.498 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -7.652 -12.786 11.183 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -7.589 -11.973 9.601 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -8.772 -11.450 10.824 1.00 0.00 H new