USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 759 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 12 HIS : no HD1:sc= -12! C(o=-21!,f=-22!) USER MOD Set 1.2: A 134 LYS NZ :NH3+ 145:sc= -9.4! (180deg=-1.33!) USER MOD Set 2.1: A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 131 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 14 TYR OH : rot 150:sc= 0 USER MOD Set 3.2: A 40 SER OG : rot 90:sc= -2.07 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.113) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 47:sc= 0.743 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 140:sc= -0.415 USER MOD Single : A 22 SER OG : rot 37:sc= -4.06! USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN :FLIP amide:sc= -3.64! C(o=-4.6!,f=-3.6!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -52:sc= 0.00825 USER MOD Single : A 37 ASN : amide:sc= -4.03! C(o=-4!,f=-4.8!) USER MOD Single : A 43 SER OG : rot 180:sc= 0.00483 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 132:sc= 0.409 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -124:sc= -0.171 (180deg=-1.78) USER MOD Single : A 62 SER OG : rot -113:sc= 0.887 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -0.394 X(o=-0.39,f=-0.017) USER MOD Single : A 85 SER OG : rot -11:sc= 0.889 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc= -0.401 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 110 SER OG : rot -62:sc= 0.24 USER MOD Single : A 112 SER OG : rot -50:sc= 0.848 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot -7:sc= 0.167 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 ASN : amide:sc= -0.353 K(o=-0.35,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 80 N SER A 6 -6.568 15.170 0.488 1.00 0.00 N ATOM 81 CA SER A 6 -5.684 14.492 1.481 1.00 0.00 C ATOM 82 C SER A 6 -6.492 14.181 2.745 1.00 0.00 C ATOM 83 O SER A 6 -7.350 14.944 3.141 1.00 0.00 O ATOM 84 CB SER A 6 -4.512 15.409 1.836 1.00 0.00 C ATOM 85 OG SER A 6 -4.877 16.233 2.936 1.00 0.00 O ATOM 0 HA SER A 6 -5.299 13.566 1.055 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.634 14.815 2.088 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.245 16.026 0.978 1.00 0.00 H new ATOM 0 HG SER A 6 -4.128 16.821 3.167 1.00 0.00 H new ATOM 91 N LYS A 7 -6.229 13.065 3.378 1.00 0.00 N ATOM 92 CA LYS A 7 -6.992 12.707 4.615 1.00 0.00 C ATOM 93 C LYS A 7 -6.009 12.325 5.721 1.00 0.00 C ATOM 94 O LYS A 7 -5.082 11.576 5.505 1.00 0.00 O ATOM 95 CB LYS A 7 -7.914 11.513 4.331 1.00 0.00 C ATOM 96 CG LYS A 7 -8.682 11.731 3.020 1.00 0.00 C ATOM 97 CD LYS A 7 -9.880 12.653 3.264 1.00 0.00 C ATOM 98 CE LYS A 7 -10.370 13.217 1.929 1.00 0.00 C ATOM 99 NZ LYS A 7 -10.854 12.103 1.067 1.00 0.00 N ATOM 0 H LYS A 7 -5.521 12.388 3.094 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.591 13.562 4.927 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.325 10.598 4.267 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.616 11.384 5.154 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.022 12.168 2.271 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.023 10.774 2.625 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.682 12.102 3.755 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.597 13.466 3.932 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.172 13.935 2.098 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.562 13.753 1.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.355 12.494 0.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.044 11.538 0.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.502 11.499 1.612 1.00 0.00 H new ATOM 113 N ALA A 8 -6.200 12.834 6.910 1.00 0.00 N ATOM 114 CA ALA A 8 -5.266 12.493 8.022 1.00 0.00 C ATOM 115 C ALA A 8 -5.733 11.215 8.719 1.00 0.00 C ATOM 116 O ALA A 8 -6.895 10.859 8.681 1.00 0.00 O ATOM 117 CB ALA A 8 -5.227 13.638 9.034 1.00 0.00 C ATOM 0 H ALA A 8 -6.959 13.468 7.158 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.268 12.337 7.612 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.544 13.384 9.844 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.884 14.548 8.541 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.226 13.800 9.439 1.00 0.00 H new ATOM 123 N TYR A 9 -4.830 10.526 9.357 1.00 0.00 N ATOM 124 CA TYR A 9 -5.202 9.269 10.064 1.00 0.00 C ATOM 125 C TYR A 9 -4.021 8.812 10.921 1.00 0.00 C ATOM 126 O TYR A 9 -2.876 8.956 10.542 1.00 0.00 O ATOM 127 CB TYR A 9 -5.543 8.187 9.036 1.00 0.00 C ATOM 128 CG TYR A 9 -6.298 7.069 9.713 1.00 0.00 C ATOM 129 CD1 TYR A 9 -7.686 7.161 9.878 1.00 0.00 C ATOM 130 CD2 TYR A 9 -5.611 5.940 10.177 1.00 0.00 C ATOM 131 CE1 TYR A 9 -8.387 6.126 10.506 1.00 0.00 C ATOM 132 CE2 TYR A 9 -6.313 4.904 10.806 1.00 0.00 C ATOM 133 CZ TYR A 9 -7.700 4.997 10.970 1.00 0.00 C ATOM 134 OH TYR A 9 -8.391 3.976 11.589 1.00 0.00 O ATOM 0 H TYR A 9 -3.844 10.781 9.420 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.070 9.444 10.700 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.144 8.611 8.232 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.630 7.801 8.582 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -8.215 8.032 9.520 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.541 5.868 10.050 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -9.457 6.197 10.633 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.784 4.033 11.165 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.765 3.268 11.849 1.00 0.00 H new ATOM 144 N GLY A 10 -4.282 8.267 12.074 1.00 0.00 N ATOM 145 CA GLY A 10 -3.162 7.813 12.945 1.00 0.00 C ATOM 146 C GLY A 10 -2.349 9.027 13.400 1.00 0.00 C ATOM 147 O GLY A 10 -2.357 9.389 14.559 1.00 0.00 O ATOM 0 H GLY A 10 -5.218 8.116 12.451 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.553 7.278 13.810 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.523 7.116 12.402 1.00 0.00 H new ATOM 151 N SER A 11 -1.647 9.661 12.497 1.00 0.00 N ATOM 152 CA SER A 11 -0.837 10.851 12.884 1.00 0.00 C ATOM 153 C SER A 11 -0.062 11.374 11.668 1.00 0.00 C ATOM 154 O SER A 11 1.008 11.935 11.802 1.00 0.00 O ATOM 155 CB SER A 11 0.144 10.458 13.993 1.00 0.00 C ATOM 156 OG SER A 11 -0.492 10.602 15.256 1.00 0.00 O ATOM 0 H SER A 11 -1.600 9.406 11.511 1.00 0.00 H new ATOM 0 HA SER A 11 -1.500 11.637 13.246 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.474 9.428 13.854 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.033 11.087 13.947 1.00 0.00 H new ATOM 0 HG SER A 11 -1.382 10.193 15.222 1.00 0.00 H new ATOM 162 N HIS A 12 -0.587 11.200 10.485 1.00 0.00 N ATOM 163 CA HIS A 12 0.123 11.691 9.275 1.00 0.00 C ATOM 164 C HIS A 12 -0.910 12.095 8.223 1.00 0.00 C ATOM 165 O HIS A 12 -1.997 11.556 8.169 1.00 0.00 O ATOM 166 CB HIS A 12 1.005 10.576 8.713 1.00 0.00 C ATOM 167 CG HIS A 12 1.858 9.996 9.806 1.00 0.00 C ATOM 168 ND1 HIS A 12 3.215 10.264 9.903 1.00 0.00 N ATOM 169 CD2 HIS A 12 1.567 9.158 10.854 1.00 0.00 C ATOM 170 CE1 HIS A 12 3.685 9.598 10.973 1.00 0.00 C ATOM 171 NE2 HIS A 12 2.722 8.909 11.590 1.00 0.00 N ATOM 0 H HIS A 12 -1.479 10.738 10.307 1.00 0.00 H new ATOM 0 HA HIS A 12 0.744 12.548 9.535 1.00 0.00 H new ATOM 0 HB2 HIS A 12 0.383 9.796 8.273 1.00 0.00 H new ATOM 0 HB3 HIS A 12 1.637 10.968 7.916 1.00 0.00 H new ATOM 0 HD2 HIS A 12 0.590 8.753 11.074 1.00 0.00 H new ATOM 0 HE1 HIS A 12 4.716 9.618 11.294 1.00 0.00 H new ATOM 0 HE2 HIS A 12 2.813 8.326 12.422 1.00 0.00 H new ATOM 179 N CYS A 13 -0.579 13.033 7.380 1.00 0.00 N ATOM 180 CA CYS A 13 -1.544 13.457 6.327 1.00 0.00 C ATOM 181 C CYS A 13 -1.387 12.525 5.125 1.00 0.00 C ATOM 182 O CYS A 13 -0.300 12.336 4.616 1.00 0.00 O ATOM 183 CB CYS A 13 -1.247 14.905 5.914 1.00 0.00 C ATOM 184 SG CYS A 13 -2.497 16.005 6.624 1.00 0.00 S ATOM 0 H CYS A 13 0.315 13.523 7.374 1.00 0.00 H new ATOM 0 HA CYS A 13 -2.565 13.404 6.704 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.254 15.196 6.258 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -1.246 14.991 4.827 1.00 0.00 H new ATOM 0 HG CYS A 13 -2.244 17.232 6.276 1.00 0.00 H new ATOM 189 N TYR A 14 -2.460 11.929 4.674 1.00 0.00 N ATOM 190 CA TYR A 14 -2.361 10.999 3.516 1.00 0.00 C ATOM 191 C TYR A 14 -2.803 11.714 2.242 1.00 0.00 C ATOM 192 O TYR A 14 -3.730 12.495 2.249 1.00 0.00 O ATOM 193 CB TYR A 14 -3.255 9.780 3.758 1.00 0.00 C ATOM 194 CG TYR A 14 -2.736 9.001 4.946 1.00 0.00 C ATOM 195 CD1 TYR A 14 -2.824 9.543 6.233 1.00 0.00 C ATOM 196 CD2 TYR A 14 -2.165 7.735 4.759 1.00 0.00 C ATOM 197 CE1 TYR A 14 -2.343 8.823 7.331 1.00 0.00 C ATOM 198 CE2 TYR A 14 -1.684 7.015 5.860 1.00 0.00 C ATOM 199 CZ TYR A 14 -1.774 7.559 7.146 1.00 0.00 C ATOM 200 OH TYR A 14 -1.300 6.849 8.230 1.00 0.00 O ATOM 0 H TYR A 14 -3.397 12.047 5.058 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.327 10.672 3.405 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.281 10.099 3.939 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.270 9.145 2.872 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.264 10.519 6.379 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.096 7.315 3.767 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.411 9.244 8.323 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.243 6.039 5.716 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.386 5.889 8.055 1.00 0.00 H new ATOM 210 N ALA A 15 -2.143 11.449 1.145 1.00 0.00 N ATOM 211 CA ALA A 15 -2.520 12.110 -0.137 1.00 0.00 C ATOM 212 C ALA A 15 -2.444 11.093 -1.276 1.00 0.00 C ATOM 213 O ALA A 15 -1.443 10.428 -1.464 1.00 0.00 O ATOM 214 CB ALA A 15 -1.556 13.265 -0.418 1.00 0.00 C ATOM 0 H ALA A 15 -1.357 10.801 1.083 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.537 12.496 -0.062 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.831 13.749 -1.355 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.610 13.990 0.394 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.539 12.880 -0.493 1.00 0.00 H new ATOM 220 N LEU A 16 -3.496 10.964 -2.033 1.00 0.00 N ATOM 221 CA LEU A 16 -3.498 9.992 -3.161 1.00 0.00 C ATOM 222 C LEU A 16 -2.888 10.650 -4.402 1.00 0.00 C ATOM 223 O LEU A 16 -3.197 11.778 -4.732 1.00 0.00 O ATOM 224 CB LEU A 16 -4.948 9.571 -3.447 1.00 0.00 C ATOM 225 CG LEU A 16 -5.047 8.862 -4.802 1.00 0.00 C ATOM 226 CD1 LEU A 16 -4.172 7.603 -4.798 1.00 0.00 C ATOM 227 CD2 LEU A 16 -6.503 8.469 -5.061 1.00 0.00 C ATOM 0 H LEU A 16 -4.360 11.493 -1.918 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.907 9.114 -2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.302 8.909 -2.657 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.595 10.448 -3.441 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.701 9.535 -5.587 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.247 7.104 -5.764 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.134 7.882 -4.613 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.511 6.927 -4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.578 7.964 -6.024 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.845 7.799 -4.272 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.125 9.364 -5.071 1.00 0.00 H new ATOM 239 N PHE A 17 -2.036 9.946 -5.102 1.00 0.00 N ATOM 240 CA PHE A 17 -1.414 10.506 -6.327 1.00 0.00 C ATOM 241 C PHE A 17 -1.729 9.565 -7.486 1.00 0.00 C ATOM 242 O PHE A 17 -1.306 8.425 -7.505 1.00 0.00 O ATOM 243 CB PHE A 17 0.102 10.599 -6.137 1.00 0.00 C ATOM 244 CG PHE A 17 0.420 11.710 -5.167 1.00 0.00 C ATOM 245 CD1 PHE A 17 0.372 13.044 -5.589 1.00 0.00 C ATOM 246 CD2 PHE A 17 0.764 11.408 -3.843 1.00 0.00 C ATOM 247 CE1 PHE A 17 0.668 14.075 -4.689 1.00 0.00 C ATOM 248 CE2 PHE A 17 1.059 12.440 -2.943 1.00 0.00 C ATOM 249 CZ PHE A 17 1.011 13.773 -3.366 1.00 0.00 C ATOM 0 H PHE A 17 -1.745 8.996 -4.870 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.804 11.503 -6.530 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.491 9.652 -5.762 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.588 10.787 -7.094 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.106 13.278 -6.609 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.802 10.379 -3.516 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.632 15.104 -5.016 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.324 12.207 -1.922 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.239 14.569 -2.672 1.00 0.00 H new ATOM 259 N LEU A 18 -2.466 10.031 -8.451 1.00 0.00 N ATOM 260 CA LEU A 18 -2.805 9.161 -9.605 1.00 0.00 C ATOM 261 C LEU A 18 -1.545 8.971 -10.425 1.00 0.00 C ATOM 262 O LEU A 18 -1.573 8.479 -11.536 1.00 0.00 O ATOM 263 CB LEU A 18 -3.888 9.826 -10.460 1.00 0.00 C ATOM 264 CG LEU A 18 -5.007 10.359 -9.561 1.00 0.00 C ATOM 265 CD1 LEU A 18 -6.235 10.682 -10.414 1.00 0.00 C ATOM 266 CD2 LEU A 18 -5.379 9.301 -8.518 1.00 0.00 C ATOM 0 H LEU A 18 -2.848 10.976 -8.490 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.184 8.199 -9.259 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.456 10.642 -11.040 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.293 9.108 -11.173 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.664 11.262 -9.055 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.032 11.062 -9.775 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.974 11.437 -11.156 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.575 9.778 -10.920 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.176 9.684 -7.880 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.721 8.397 -9.022 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.506 9.068 -7.908 1.00 0.00 H new ATOM 278 N SER A 19 -0.430 9.361 -9.876 1.00 0.00 N ATOM 279 CA SER A 19 0.846 9.205 -10.626 1.00 0.00 C ATOM 280 C SER A 19 1.459 7.834 -10.307 1.00 0.00 C ATOM 281 O SER A 19 1.723 7.525 -9.162 1.00 0.00 O ATOM 282 CB SER A 19 1.833 10.304 -10.229 1.00 0.00 C ATOM 283 OG SER A 19 1.205 11.196 -9.317 1.00 0.00 O ATOM 0 H SER A 19 -0.346 9.778 -8.949 1.00 0.00 H new ATOM 0 HA SER A 19 0.640 9.282 -11.694 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.720 9.864 -9.772 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.166 10.846 -11.114 1.00 0.00 H new ATOM 0 HG SER A 19 1.842 11.450 -8.617 1.00 0.00 H new ATOM 289 N PRO A 20 1.691 7.014 -11.303 1.00 0.00 N ATOM 290 CA PRO A 20 2.286 5.672 -11.069 1.00 0.00 C ATOM 291 C PRO A 20 3.692 5.767 -10.464 1.00 0.00 C ATOM 292 O PRO A 20 4.421 6.705 -10.720 1.00 0.00 O ATOM 293 CB PRO A 20 2.348 5.079 -12.479 1.00 0.00 C ATOM 294 CG PRO A 20 1.808 6.115 -13.477 1.00 0.00 C ATOM 295 CD PRO A 20 1.374 7.361 -12.714 1.00 0.00 C ATOM 0 HA PRO A 20 1.710 5.075 -10.362 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.374 4.812 -12.731 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.759 4.164 -12.530 1.00 0.00 H new ATOM 0 HG2 PRO A 20 2.576 6.370 -14.208 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.966 5.700 -14.031 1.00 0.00 H new ATOM 0 HD2 PRO A 20 1.917 8.246 -13.044 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.313 7.569 -12.850 1.00 0.00 H new ATOM 303 N LYS A 21 4.086 4.800 -9.679 1.00 0.00 N ATOM 304 CA LYS A 21 5.453 4.843 -9.080 1.00 0.00 C ATOM 305 C LYS A 21 5.837 3.443 -8.594 1.00 0.00 C ATOM 306 O LYS A 21 5.120 2.829 -7.838 1.00 0.00 O ATOM 307 CB LYS A 21 5.460 5.814 -7.889 1.00 0.00 C ATOM 308 CG LYS A 21 5.682 7.254 -8.375 1.00 0.00 C ATOM 309 CD LYS A 21 6.241 8.100 -7.228 1.00 0.00 C ATOM 310 CE LYS A 21 6.251 9.575 -7.638 1.00 0.00 C ATOM 311 NZ LYS A 21 7.106 10.346 -6.694 1.00 0.00 N ATOM 0 H LYS A 21 3.525 3.986 -9.427 1.00 0.00 H new ATOM 0 HA LYS A 21 6.169 5.181 -9.830 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.515 5.747 -7.351 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.246 5.534 -7.188 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.374 7.262 -9.217 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.743 7.678 -8.730 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.634 7.965 -6.333 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.251 7.774 -6.980 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.629 9.678 -8.655 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.236 9.972 -7.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.113 11.348 -6.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.727 10.257 -5.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.076 9.972 -6.720 1.00 0.00 H new ATOM 325 N SER A 22 6.968 2.938 -9.005 1.00 0.00 N ATOM 326 CA SER A 22 7.381 1.582 -8.538 1.00 0.00 C ATOM 327 C SER A 22 7.228 1.515 -7.019 1.00 0.00 C ATOM 328 O SER A 22 7.353 2.511 -6.335 1.00 0.00 O ATOM 329 CB SER A 22 8.839 1.329 -8.915 1.00 0.00 C ATOM 330 OG SER A 22 9.322 0.215 -8.177 1.00 0.00 O ATOM 0 H SER A 22 7.620 3.400 -9.639 1.00 0.00 H new ATOM 0 HA SER A 22 6.755 0.824 -9.009 1.00 0.00 H new ATOM 0 HB2 SER A 22 8.923 1.137 -9.985 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.442 2.212 -8.701 1.00 0.00 H new ATOM 0 HG SER A 22 8.610 -0.452 -8.089 1.00 0.00 H new ATOM 336 N TRP A 23 6.969 0.358 -6.479 1.00 0.00 N ATOM 337 CA TRP A 23 6.824 0.263 -5.001 1.00 0.00 C ATOM 338 C TRP A 23 8.113 0.763 -4.368 1.00 0.00 C ATOM 339 O TRP A 23 8.153 1.158 -3.222 1.00 0.00 O ATOM 340 CB TRP A 23 6.587 -1.191 -4.588 1.00 0.00 C ATOM 341 CG TRP A 23 6.571 -1.283 -3.094 1.00 0.00 C ATOM 342 CD1 TRP A 23 5.456 -1.361 -2.334 1.00 0.00 C ATOM 343 CD2 TRP A 23 7.700 -1.302 -2.173 1.00 0.00 C ATOM 344 NE1 TRP A 23 5.827 -1.428 -1.002 1.00 0.00 N ATOM 345 CE2 TRP A 23 7.200 -1.394 -0.852 1.00 0.00 C ATOM 346 CE3 TRP A 23 9.093 -1.248 -2.352 1.00 0.00 C ATOM 347 CZ2 TRP A 23 8.053 -1.431 0.251 1.00 0.00 C ATOM 348 CZ3 TRP A 23 9.955 -1.286 -1.244 1.00 0.00 C ATOM 349 CH2 TRP A 23 9.436 -1.377 0.056 1.00 0.00 C ATOM 0 H TRP A 23 6.853 -0.517 -6.990 1.00 0.00 H new ATOM 0 HA TRP A 23 5.975 0.862 -4.671 1.00 0.00 H new ATOM 0 HB2 TRP A 23 5.641 -1.548 -4.996 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.371 -1.829 -4.995 1.00 0.00 H new ATOM 0 HD1 TRP A 23 4.442 -1.370 -2.705 1.00 0.00 H new ATOM 0 HE1 TRP A 23 5.168 -1.494 -0.227 1.00 0.00 H new ATOM 0 HE3 TRP A 23 9.503 -1.177 -3.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 7.647 -1.501 1.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 11.024 -1.245 -1.394 1.00 0.00 H new ATOM 0 HH2 TRP A 23 10.104 -1.405 0.904 1.00 0.00 H new ATOM 360 N THR A 24 9.172 0.750 -5.124 1.00 0.00 N ATOM 361 CA THR A 24 10.483 1.221 -4.599 1.00 0.00 C ATOM 362 C THR A 24 10.638 2.708 -4.910 1.00 0.00 C ATOM 363 O THR A 24 11.439 3.405 -4.320 1.00 0.00 O ATOM 364 CB THR A 24 11.606 0.425 -5.275 1.00 0.00 C ATOM 365 OG1 THR A 24 12.810 0.594 -4.541 1.00 0.00 O ATOM 366 CG2 THR A 24 11.808 0.916 -6.715 1.00 0.00 C ATOM 0 H THR A 24 9.187 0.430 -6.093 1.00 0.00 H new ATOM 0 HA THR A 24 10.534 1.071 -3.521 1.00 0.00 H new ATOM 0 HB THR A 24 11.334 -0.630 -5.296 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.529 0.085 -4.970 1.00 0.00 H new ATOM 0 HG21 THR A 24 12.608 0.344 -7.186 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.885 0.781 -7.278 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.075 1.973 -6.705 1.00 0.00 H new ATOM 374 N ASP A 25 9.871 3.186 -5.844 1.00 0.00 N ATOM 375 CA ASP A 25 9.947 4.620 -6.234 1.00 0.00 C ATOM 376 C ASP A 25 9.028 5.438 -5.335 1.00 0.00 C ATOM 377 O ASP A 25 9.385 6.503 -4.873 1.00 0.00 O ATOM 378 CB ASP A 25 9.507 4.780 -7.688 1.00 0.00 C ATOM 379 CG ASP A 25 9.405 6.266 -8.035 1.00 0.00 C ATOM 380 OD1 ASP A 25 9.981 7.064 -7.313 1.00 0.00 O ATOM 381 OD2 ASP A 25 8.750 6.582 -9.015 1.00 0.00 O ATOM 0 H ASP A 25 9.184 2.638 -6.362 1.00 0.00 H new ATOM 0 HA ASP A 25 10.973 4.971 -6.125 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.221 4.290 -8.350 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.544 4.294 -7.842 1.00 0.00 H new ATOM 386 N ALA A 26 7.851 4.944 -5.059 1.00 0.00 N ATOM 387 CA ALA A 26 6.944 5.697 -4.171 1.00 0.00 C ATOM 388 C ALA A 26 7.464 5.516 -2.756 1.00 0.00 C ATOM 389 O ALA A 26 7.337 6.377 -1.915 1.00 0.00 O ATOM 390 CB ALA A 26 5.528 5.148 -4.296 1.00 0.00 C ATOM 0 H ALA A 26 7.488 4.058 -5.411 1.00 0.00 H new ATOM 0 HA ALA A 26 6.914 6.754 -4.436 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.862 5.707 -3.639 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.189 5.248 -5.327 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.519 4.096 -4.012 1.00 0.00 H new ATOM 396 N ASP A 27 8.069 4.392 -2.500 1.00 0.00 N ATOM 397 CA ASP A 27 8.627 4.139 -1.153 1.00 0.00 C ATOM 398 C ASP A 27 9.698 5.191 -0.851 1.00 0.00 C ATOM 399 O ASP A 27 9.759 5.736 0.232 1.00 0.00 O ATOM 400 CB ASP A 27 9.252 2.747 -1.141 1.00 0.00 C ATOM 401 CG ASP A 27 10.057 2.551 0.145 1.00 0.00 C ATOM 402 OD1 ASP A 27 9.443 2.427 1.193 1.00 0.00 O ATOM 403 OD2 ASP A 27 11.274 2.527 0.062 1.00 0.00 O ATOM 0 H ASP A 27 8.200 3.636 -3.172 1.00 0.00 H new ATOM 0 HA ASP A 27 7.843 4.197 -0.398 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.473 1.988 -1.212 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.900 2.622 -2.009 1.00 0.00 H new ATOM 408 N LEU A 28 10.544 5.478 -1.804 1.00 0.00 N ATOM 409 CA LEU A 28 11.614 6.492 -1.578 1.00 0.00 C ATOM 410 C LEU A 28 11.009 7.901 -1.570 1.00 0.00 C ATOM 411 O LEU A 28 11.304 8.708 -0.712 1.00 0.00 O ATOM 412 CB LEU A 28 12.660 6.391 -2.697 1.00 0.00 C ATOM 413 CG LEU A 28 13.685 5.298 -2.360 1.00 0.00 C ATOM 414 CD1 LEU A 28 14.342 4.797 -3.648 1.00 0.00 C ATOM 415 CD2 LEU A 28 14.766 5.867 -1.433 1.00 0.00 C ATOM 0 H LEU A 28 10.540 5.053 -2.731 1.00 0.00 H new ATOM 0 HA LEU A 28 12.088 6.301 -0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.171 6.163 -3.644 1.00 0.00 H new ATOM 0 HB3 LEU A 28 13.165 7.349 -2.822 1.00 0.00 H new ATOM 0 HG LEU A 28 13.175 4.473 -1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.069 4.021 -3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.579 4.387 -4.310 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.846 5.626 -4.145 1.00 0.00 H new ATOM 0 HD21 LEU A 28 15.490 5.087 -1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 28 15.272 6.695 -1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 28 14.305 6.224 -0.512 1.00 0.00 H new ATOM 427 N ALA A 29 10.178 8.207 -2.527 1.00 0.00 N ATOM 428 CA ALA A 29 9.568 9.569 -2.576 1.00 0.00 C ATOM 429 C ALA A 29 8.703 9.800 -1.338 1.00 0.00 C ATOM 430 O ALA A 29 8.865 10.777 -0.634 1.00 0.00 O ATOM 431 CB ALA A 29 8.705 9.698 -3.828 1.00 0.00 C ATOM 0 H ALA A 29 9.894 7.576 -3.276 1.00 0.00 H new ATOM 0 HA ALA A 29 10.364 10.313 -2.601 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.260 10.693 -3.863 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.323 9.546 -4.713 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.915 8.948 -3.804 1.00 0.00 H new ATOM 437 N CYS A 30 7.785 8.915 -1.056 1.00 0.00 N ATOM 438 CA CYS A 30 6.934 9.110 0.142 1.00 0.00 C ATOM 439 C CYS A 30 7.832 9.100 1.376 1.00 0.00 C ATOM 440 O CYS A 30 7.478 9.602 2.422 1.00 0.00 O ATOM 441 CB CYS A 30 5.900 7.987 0.227 1.00 0.00 C ATOM 442 SG CYS A 30 4.750 8.331 1.581 1.00 0.00 S ATOM 0 H CYS A 30 7.592 8.074 -1.601 1.00 0.00 H new ATOM 0 HA CYS A 30 6.404 10.061 0.081 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.357 7.906 -0.714 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.397 7.031 0.392 1.00 0.00 H new ATOM 447 N GLN A 31 9.012 8.554 1.251 1.00 0.00 N ATOM 448 CA GLN A 31 9.947 8.543 2.407 1.00 0.00 C ATOM 449 C GLN A 31 10.634 9.903 2.470 1.00 0.00 C ATOM 450 O GLN A 31 10.969 10.400 3.527 1.00 0.00 O ATOM 451 CB GLN A 31 10.999 7.443 2.224 1.00 0.00 C ATOM 452 CG GLN A 31 12.060 7.551 3.326 1.00 0.00 C ATOM 453 CD GLN A 31 13.118 8.581 2.926 1.00 0.00 C ATOM 454 OE1 GLN A 31 13.316 9.625 3.685 1.00 0.00 O flip ATOM 455 NE2 GLN A 31 13.772 8.437 1.911 1.00 0.00 N flip ATOM 0 H GLN A 31 9.366 8.117 0.400 1.00 0.00 H new ATOM 0 HA GLN A 31 9.400 8.347 3.329 1.00 0.00 H new ATOM 0 HB2 GLN A 31 10.524 6.463 2.259 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.468 7.535 1.244 1.00 0.00 H new ATOM 0 HG2 GLN A 31 11.593 7.842 4.267 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.528 6.580 3.490 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.619 7.622 1.317 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.474 9.131 1.654 1.00 0.00 H new ATOM 464 N LYS A 32 10.830 10.514 1.334 1.00 0.00 N ATOM 465 CA LYS A 32 11.474 11.847 1.304 1.00 0.00 C ATOM 466 C LYS A 32 10.573 12.844 2.033 1.00 0.00 C ATOM 467 O LYS A 32 10.912 13.999 2.208 1.00 0.00 O ATOM 468 CB LYS A 32 11.667 12.279 -0.155 1.00 0.00 C ATOM 469 CG LYS A 32 12.040 13.762 -0.213 1.00 0.00 C ATOM 470 CD LYS A 32 12.690 14.081 -1.564 1.00 0.00 C ATOM 471 CE LYS A 32 11.658 13.914 -2.680 1.00 0.00 C ATOM 472 NZ LYS A 32 12.204 14.471 -3.949 1.00 0.00 N ATOM 0 H LYS A 32 10.568 10.140 0.422 1.00 0.00 H new ATOM 0 HA LYS A 32 12.446 11.811 1.795 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.449 11.680 -0.621 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.752 12.103 -0.720 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.150 14.376 -0.073 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.726 14.006 0.598 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.077 15.100 -1.562 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.538 13.419 -1.737 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.413 12.860 -2.809 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.733 14.426 -2.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.502 14.358 -4.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.416 15.481 -3.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.075 13.964 -4.204 1.00 0.00 H new ATOM 486 N ARG A 33 9.420 12.402 2.457 1.00 0.00 N ATOM 487 CA ARG A 33 8.476 13.304 3.175 1.00 0.00 C ATOM 488 C ARG A 33 8.741 13.224 4.680 1.00 0.00 C ATOM 489 O ARG A 33 9.340 12.279 5.154 1.00 0.00 O ATOM 490 CB ARG A 33 7.038 12.860 2.873 1.00 0.00 C ATOM 491 CG ARG A 33 6.481 13.657 1.688 1.00 0.00 C ATOM 492 CD ARG A 33 7.289 13.334 0.429 1.00 0.00 C ATOM 493 NE ARG A 33 6.766 14.136 -0.713 1.00 0.00 N ATOM 494 CZ ARG A 33 7.053 13.789 -1.938 1.00 0.00 C ATOM 495 NH1 ARG A 33 6.847 12.563 -2.335 1.00 0.00 N ATOM 496 NH2 ARG A 33 7.543 14.669 -2.767 1.00 0.00 N ATOM 0 H ARG A 33 9.089 11.445 2.335 1.00 0.00 H new ATOM 0 HA ARG A 33 8.617 14.333 2.844 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.018 11.794 2.646 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.410 13.011 3.751 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.431 13.410 1.532 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.529 14.725 1.900 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.343 13.558 0.593 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.220 12.270 0.202 1.00 0.00 H new ATOM 0 HE ARG A 33 6.184 14.955 -0.537 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.461 11.875 -1.688 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.071 12.292 -3.293 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.702 15.628 -2.458 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.767 14.398 -3.724 1.00 0.00 H new ATOM 510 N PRO A 34 8.295 14.203 5.435 1.00 0.00 N ATOM 511 CA PRO A 34 8.504 14.195 6.904 1.00 0.00 C ATOM 512 C PRO A 34 8.158 12.835 7.510 1.00 0.00 C ATOM 513 O PRO A 34 7.063 12.610 7.987 1.00 0.00 O ATOM 514 CB PRO A 34 7.549 15.303 7.378 1.00 0.00 C ATOM 515 CG PRO A 34 6.856 15.909 6.147 1.00 0.00 C ATOM 516 CD PRO A 34 7.551 15.370 4.891 1.00 0.00 C ATOM 0 HA PRO A 34 9.538 14.366 7.203 1.00 0.00 H new ATOM 0 HB2 PRO A 34 6.809 14.896 8.067 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.100 16.072 7.919 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.798 15.646 6.138 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.914 16.997 6.176 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.837 15.077 4.122 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.217 16.108 4.443 1.00 0.00 H new ATOM 524 N SER A 35 9.086 11.922 7.469 1.00 0.00 N ATOM 525 CA SER A 35 8.827 10.568 8.015 1.00 0.00 C ATOM 526 C SER A 35 7.725 9.904 7.194 1.00 0.00 C ATOM 527 O SER A 35 7.126 8.933 7.610 1.00 0.00 O ATOM 528 CB SER A 35 8.398 10.671 9.480 1.00 0.00 C ATOM 529 OG SER A 35 8.684 9.445 10.141 1.00 0.00 O ATOM 0 H SER A 35 10.018 12.059 7.078 1.00 0.00 H new ATOM 0 HA SER A 35 9.736 9.969 7.959 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.924 11.492 9.968 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.333 10.892 9.544 1.00 0.00 H new ATOM 0 HG SER A 35 8.295 8.702 9.635 1.00 0.00 H new ATOM 535 N GLY A 36 7.451 10.425 6.028 1.00 0.00 N ATOM 536 CA GLY A 36 6.383 9.820 5.186 1.00 0.00 C ATOM 537 C GLY A 36 6.834 8.448 4.674 1.00 0.00 C ATOM 538 O GLY A 36 7.903 7.972 4.994 1.00 0.00 O ATOM 0 H GLY A 36 7.918 11.238 5.626 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.466 9.717 5.766 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.157 10.475 4.345 1.00 0.00 H new ATOM 542 N ASN A 37 6.011 7.817 3.881 1.00 0.00 N ATOM 543 CA ASN A 37 6.347 6.470 3.323 1.00 0.00 C ATOM 544 C ASN A 37 5.048 5.823 2.834 1.00 0.00 C ATOM 545 O ASN A 37 4.009 5.987 3.447 1.00 0.00 O ATOM 546 CB ASN A 37 6.980 5.587 4.415 1.00 0.00 C ATOM 547 CG ASN A 37 8.501 5.547 4.238 1.00 0.00 C ATOM 548 OD1 ASN A 37 8.994 5.056 3.243 1.00 0.00 O ATOM 549 ND2 ASN A 37 9.270 6.043 5.169 1.00 0.00 N ATOM 0 H ASN A 37 5.104 8.182 3.590 1.00 0.00 H new ATOM 0 HA ASN A 37 7.058 6.573 2.504 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.730 5.978 5.401 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.572 4.578 4.360 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.284 6.018 5.060 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.857 6.456 6.005 1.00 0.00 H new ATOM 556 N LEU A 38 5.086 5.108 1.729 1.00 0.00 N ATOM 557 CA LEU A 38 3.843 4.463 1.205 1.00 0.00 C ATOM 558 C LEU A 38 2.820 4.269 2.334 1.00 0.00 C ATOM 559 O LEU A 38 3.151 3.860 3.430 1.00 0.00 O ATOM 560 CB LEU A 38 4.206 3.108 0.599 1.00 0.00 C ATOM 561 CG LEU A 38 4.920 3.319 -0.739 1.00 0.00 C ATOM 562 CD1 LEU A 38 5.668 2.046 -1.136 1.00 0.00 C ATOM 563 CD2 LEU A 38 3.893 3.659 -1.820 1.00 0.00 C ATOM 0 H LEU A 38 5.925 4.946 1.172 1.00 0.00 H new ATOM 0 HA LEU A 38 3.398 5.105 0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.849 2.553 1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.306 2.511 0.452 1.00 0.00 H new ATOM 0 HG LEU A 38 5.631 4.139 -0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.174 2.203 -2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.405 1.803 -0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.960 1.223 -1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.403 3.809 -2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.180 2.840 -1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.363 4.571 -1.545 1.00 0.00 H new ATOM 575 N VAL A 39 1.581 4.584 2.066 1.00 0.00 N ATOM 576 CA VAL A 39 0.504 4.461 3.099 1.00 0.00 C ATOM 577 C VAL A 39 0.740 3.260 4.023 1.00 0.00 C ATOM 578 O VAL A 39 1.357 2.280 3.654 1.00 0.00 O ATOM 579 CB VAL A 39 -0.842 4.304 2.391 1.00 0.00 C ATOM 580 CG1 VAL A 39 -0.704 3.299 1.246 1.00 0.00 C ATOM 581 CG2 VAL A 39 -1.898 3.803 3.381 1.00 0.00 C ATOM 0 H VAL A 39 1.262 4.927 1.160 1.00 0.00 H new ATOM 0 HA VAL A 39 0.512 5.360 3.715 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.151 5.271 1.995 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.664 3.188 0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.040 3.658 0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.389 2.334 1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.854 3.694 2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.590 2.838 3.784 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.002 4.520 4.195 1.00 0.00 H new ATOM 591 N SER A 40 0.234 3.350 5.228 1.00 0.00 N ATOM 592 CA SER A 40 0.393 2.239 6.218 1.00 0.00 C ATOM 593 C SER A 40 -0.955 1.525 6.406 1.00 0.00 C ATOM 594 O SER A 40 -1.961 1.934 5.858 1.00 0.00 O ATOM 595 CB SER A 40 0.854 2.834 7.555 1.00 0.00 C ATOM 596 OG SER A 40 1.086 4.225 7.389 1.00 0.00 O ATOM 0 H SER A 40 -0.289 4.155 5.572 1.00 0.00 H new ATOM 0 HA SER A 40 1.130 1.521 5.859 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.097 2.668 8.321 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.764 2.339 7.893 1.00 0.00 H new ATOM 0 HG SER A 40 0.260 4.719 7.575 1.00 0.00 H new ATOM 602 N VAL A 41 -0.991 0.461 7.175 1.00 0.00 N ATOM 603 CA VAL A 41 -2.285 -0.263 7.386 1.00 0.00 C ATOM 604 C VAL A 41 -2.174 -1.207 8.600 1.00 0.00 C ATOM 605 O VAL A 41 -1.796 -2.354 8.465 1.00 0.00 O ATOM 606 CB VAL A 41 -2.647 -1.091 6.127 1.00 0.00 C ATOM 607 CG1 VAL A 41 -4.000 -0.637 5.576 1.00 0.00 C ATOM 608 CG2 VAL A 41 -1.584 -0.912 5.032 1.00 0.00 C ATOM 0 H VAL A 41 -0.187 0.066 7.662 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.066 0.474 7.570 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.692 -2.141 6.416 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.248 -1.223 4.691 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.769 -0.782 6.335 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.948 0.419 5.309 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.859 -1.502 4.158 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.521 0.140 4.754 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.616 -1.247 5.406 1.00 0.00 H new ATOM 618 N LEU A 42 -2.505 -0.738 9.782 1.00 0.00 N ATOM 619 CA LEU A 42 -2.424 -1.621 10.993 1.00 0.00 C ATOM 620 C LEU A 42 -3.820 -1.874 11.571 1.00 0.00 C ATOM 621 O LEU A 42 -3.952 -2.344 12.684 1.00 0.00 O ATOM 622 CB LEU A 42 -1.574 -0.961 12.080 1.00 0.00 C ATOM 623 CG LEU A 42 -0.096 -1.053 11.717 1.00 0.00 C ATOM 624 CD1 LEU A 42 0.736 -0.342 12.796 1.00 0.00 C ATOM 625 CD2 LEU A 42 0.325 -2.529 11.613 1.00 0.00 C ATOM 0 H LEU A 42 -2.826 0.213 9.960 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.972 -2.563 10.683 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.864 0.083 12.195 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.752 -1.449 13.038 1.00 0.00 H new ATOM 0 HG LEU A 42 0.074 -0.571 10.754 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.794 -0.405 12.540 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.439 0.705 12.854 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.566 -0.821 13.760 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.382 -2.588 11.353 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.158 -3.023 12.570 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.266 -3.023 10.842 1.00 0.00 H new ATOM 637 N SER A 43 -4.864 -1.566 10.853 1.00 0.00 N ATOM 638 CA SER A 43 -6.226 -1.804 11.416 1.00 0.00 C ATOM 639 C SER A 43 -7.222 -2.092 10.293 1.00 0.00 C ATOM 640 O SER A 43 -7.111 -1.573 9.200 1.00 0.00 O ATOM 641 CB SER A 43 -6.679 -0.563 12.187 1.00 0.00 C ATOM 642 OG SER A 43 -7.949 -0.813 12.774 1.00 0.00 O ATOM 0 H SER A 43 -4.837 -1.166 9.915 1.00 0.00 H new ATOM 0 HA SER A 43 -6.187 -2.664 12.084 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.951 -0.315 12.959 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.738 0.295 11.517 1.00 0.00 H new ATOM 0 HG SER A 43 -8.242 -0.020 13.270 1.00 0.00 H new ATOM 648 N GLY A 44 -8.205 -2.909 10.563 1.00 0.00 N ATOM 649 CA GLY A 44 -9.220 -3.223 9.521 1.00 0.00 C ATOM 650 C GLY A 44 -9.979 -1.946 9.167 1.00 0.00 C ATOM 651 O GLY A 44 -10.664 -1.875 8.167 1.00 0.00 O ATOM 0 H GLY A 44 -8.347 -3.372 11.461 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.735 -3.631 8.634 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.911 -3.983 9.885 1.00 0.00 H new ATOM 655 N ALA A 45 -9.852 -0.934 9.981 1.00 0.00 N ATOM 656 CA ALA A 45 -10.549 0.348 9.694 1.00 0.00 C ATOM 657 C ALA A 45 -9.679 1.185 8.757 1.00 0.00 C ATOM 658 O ALA A 45 -10.165 1.824 7.845 1.00 0.00 O ATOM 659 CB ALA A 45 -10.776 1.112 11.000 1.00 0.00 C ATOM 0 H ALA A 45 -9.294 -0.942 10.834 1.00 0.00 H new ATOM 0 HA ALA A 45 -11.512 0.148 9.225 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.287 2.051 10.788 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.388 0.510 11.672 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.816 1.320 11.472 1.00 0.00 H new ATOM 665 N GLU A 46 -8.392 1.177 8.973 1.00 0.00 N ATOM 666 CA GLU A 46 -7.485 1.961 8.093 1.00 0.00 C ATOM 667 C GLU A 46 -7.455 1.308 6.712 1.00 0.00 C ATOM 668 O GLU A 46 -7.555 1.969 5.700 1.00 0.00 O ATOM 669 CB GLU A 46 -6.076 1.967 8.686 1.00 0.00 C ATOM 670 CG GLU A 46 -5.224 3.016 7.968 1.00 0.00 C ATOM 671 CD GLU A 46 -3.810 3.015 8.554 1.00 0.00 C ATOM 672 OE1 GLU A 46 -3.538 2.170 9.390 1.00 0.00 O ATOM 673 OE2 GLU A 46 -3.025 3.860 8.156 1.00 0.00 O ATOM 0 H GLU A 46 -7.931 0.660 9.722 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.843 2.987 8.011 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.120 2.187 9.753 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.622 0.981 8.582 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.187 2.800 6.900 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.674 4.003 8.078 1.00 0.00 H new ATOM 680 N GLY A 47 -7.329 0.010 6.663 1.00 0.00 N ATOM 681 CA GLY A 47 -7.305 -0.682 5.347 1.00 0.00 C ATOM 682 C GLY A 47 -8.579 -0.331 4.578 1.00 0.00 C ATOM 683 O GLY A 47 -8.586 -0.250 3.366 1.00 0.00 O ATOM 0 H GLY A 47 -7.242 -0.599 7.477 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.426 -0.379 4.778 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.236 -1.760 5.490 1.00 0.00 H new ATOM 687 N SER A 48 -9.658 -0.109 5.280 1.00 0.00 N ATOM 688 CA SER A 48 -10.931 0.251 4.599 1.00 0.00 C ATOM 689 C SER A 48 -10.926 1.751 4.312 1.00 0.00 C ATOM 690 O SER A 48 -11.499 2.212 3.344 1.00 0.00 O ATOM 691 CB SER A 48 -12.112 -0.094 5.507 1.00 0.00 C ATOM 692 OG SER A 48 -13.307 0.432 4.943 1.00 0.00 O ATOM 0 H SER A 48 -9.711 -0.162 6.297 1.00 0.00 H new ATOM 0 HA SER A 48 -11.024 -0.305 3.666 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.195 -1.175 5.621 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.953 0.320 6.503 1.00 0.00 H new ATOM 0 HG SER A 48 -14.067 0.211 5.522 1.00 0.00 H new ATOM 698 N PHE A 49 -10.273 2.514 5.144 1.00 0.00 N ATOM 699 CA PHE A 49 -10.217 3.984 4.918 1.00 0.00 C ATOM 700 C PHE A 49 -9.367 4.260 3.679 1.00 0.00 C ATOM 701 O PHE A 49 -9.766 4.984 2.789 1.00 0.00 O ATOM 702 CB PHE A 49 -9.588 4.664 6.139 1.00 0.00 C ATOM 703 CG PHE A 49 -9.890 6.144 6.105 1.00 0.00 C ATOM 704 CD1 PHE A 49 -9.217 6.976 5.203 1.00 0.00 C ATOM 705 CD2 PHE A 49 -10.845 6.684 6.975 1.00 0.00 C ATOM 706 CE1 PHE A 49 -9.498 8.347 5.169 1.00 0.00 C ATOM 707 CE2 PHE A 49 -11.127 8.055 6.942 1.00 0.00 C ATOM 708 CZ PHE A 49 -10.454 8.885 6.040 1.00 0.00 C ATOM 0 H PHE A 49 -9.776 2.182 5.971 1.00 0.00 H new ATOM 0 HA PHE A 49 -11.223 4.377 4.769 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -9.980 4.223 7.056 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.510 4.502 6.143 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -8.480 6.560 4.532 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -11.364 6.043 7.672 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -8.979 8.989 4.473 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -11.864 8.471 7.613 1.00 0.00 H new ATOM 0 HZ PHE A 49 -10.672 9.943 6.015 1.00 0.00 H new ATOM 718 N VAL A 50 -8.201 3.677 3.607 1.00 0.00 N ATOM 719 CA VAL A 50 -7.336 3.895 2.417 1.00 0.00 C ATOM 720 C VAL A 50 -8.082 3.400 1.178 1.00 0.00 C ATOM 721 O VAL A 50 -7.951 3.948 0.102 1.00 0.00 O ATOM 722 CB VAL A 50 -6.030 3.114 2.575 1.00 0.00 C ATOM 723 CG1 VAL A 50 -5.085 3.457 1.419 1.00 0.00 C ATOM 724 CG2 VAL A 50 -5.364 3.493 3.900 1.00 0.00 C ATOM 0 H VAL A 50 -7.812 3.060 4.321 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.103 4.955 2.317 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.246 2.046 2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.155 2.900 1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.555 3.189 0.473 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.872 4.526 1.428 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.434 2.936 4.012 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.150 4.562 3.907 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.033 3.251 4.726 1.00 0.00 H new ATOM 734 N SER A 51 -8.869 2.371 1.328 1.00 0.00 N ATOM 735 CA SER A 51 -9.630 1.839 0.165 1.00 0.00 C ATOM 736 C SER A 51 -10.575 2.921 -0.360 1.00 0.00 C ATOM 737 O SER A 51 -10.582 3.233 -1.531 1.00 0.00 O ATOM 738 CB SER A 51 -10.447 0.623 0.603 1.00 0.00 C ATOM 739 OG SER A 51 -11.523 0.429 -0.304 1.00 0.00 O ATOM 0 H SER A 51 -9.018 1.876 2.207 1.00 0.00 H new ATOM 0 HA SER A 51 -8.934 1.546 -0.622 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.814 -0.264 0.630 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.830 0.772 1.613 1.00 0.00 H new ATOM 0 HG SER A 51 -11.554 -0.511 -0.578 1.00 0.00 H new ATOM 745 N SER A 52 -11.371 3.499 0.499 1.00 0.00 N ATOM 746 CA SER A 52 -12.318 4.560 0.047 1.00 0.00 C ATOM 747 C SER A 52 -11.532 5.759 -0.494 1.00 0.00 C ATOM 748 O SER A 52 -12.035 6.539 -1.276 1.00 0.00 O ATOM 749 CB SER A 52 -13.180 5.008 1.227 1.00 0.00 C ATOM 750 OG SER A 52 -14.056 6.043 0.802 1.00 0.00 O ATOM 0 H SER A 52 -11.407 3.282 1.495 1.00 0.00 H new ATOM 0 HA SER A 52 -12.956 4.162 -0.742 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.754 4.166 1.613 1.00 0.00 H new ATOM 0 HB3 SER A 52 -12.547 5.363 2.041 1.00 0.00 H new ATOM 0 HG SER A 52 -14.611 6.332 1.556 1.00 0.00 H new ATOM 756 N LEU A 53 -10.305 5.910 -0.081 1.00 0.00 N ATOM 757 CA LEU A 53 -9.487 7.056 -0.566 1.00 0.00 C ATOM 758 C LEU A 53 -9.030 6.775 -1.999 1.00 0.00 C ATOM 759 O LEU A 53 -8.740 7.678 -2.757 1.00 0.00 O ATOM 760 CB LEU A 53 -8.266 7.216 0.356 1.00 0.00 C ATOM 761 CG LEU A 53 -7.144 7.991 -0.346 1.00 0.00 C ATOM 762 CD1 LEU A 53 -7.590 9.435 -0.594 1.00 0.00 C ATOM 763 CD2 LEU A 53 -5.902 8.000 0.548 1.00 0.00 C ATOM 0 H LEU A 53 -9.832 5.287 0.574 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.074 7.974 -0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.559 7.739 1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.901 6.234 0.656 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.916 7.511 -1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.790 9.982 -1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.479 9.438 -1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.818 9.914 0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.101 8.550 0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.140 8.481 1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.579 6.975 0.732 1.00 0.00 H new ATOM 775 N VAL A 54 -8.946 5.525 -2.367 1.00 0.00 N ATOM 776 CA VAL A 54 -8.486 5.170 -3.740 1.00 0.00 C ATOM 777 C VAL A 54 -9.571 4.372 -4.472 1.00 0.00 C ATOM 778 O VAL A 54 -9.310 3.716 -5.462 1.00 0.00 O ATOM 779 CB VAL A 54 -7.207 4.337 -3.624 1.00 0.00 C ATOM 780 CG1 VAL A 54 -6.187 5.103 -2.780 1.00 0.00 C ATOM 781 CG2 VAL A 54 -7.517 3.003 -2.941 1.00 0.00 C ATOM 0 H VAL A 54 -9.178 4.730 -1.772 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.287 6.078 -4.310 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.806 4.150 -4.620 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.273 4.516 -2.693 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.962 6.056 -3.258 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.599 5.283 -1.787 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.603 2.414 -2.861 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.917 3.189 -1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.252 2.454 -3.531 1.00 0.00 H new ATOM 791 N LYS A 55 -10.785 4.419 -3.994 1.00 0.00 N ATOM 792 CA LYS A 55 -11.885 3.660 -4.658 1.00 0.00 C ATOM 793 C LYS A 55 -12.490 4.502 -5.787 1.00 0.00 C ATOM 794 O LYS A 55 -13.111 3.985 -6.695 1.00 0.00 O ATOM 795 CB LYS A 55 -12.974 3.344 -3.627 1.00 0.00 C ATOM 796 CG LYS A 55 -13.973 2.344 -4.221 1.00 0.00 C ATOM 797 CD LYS A 55 -15.193 2.213 -3.298 1.00 0.00 C ATOM 798 CE LYS A 55 -14.893 1.206 -2.183 1.00 0.00 C ATOM 799 NZ LYS A 55 -14.766 -0.159 -2.768 1.00 0.00 N ATOM 0 H LYS A 55 -11.064 4.952 -3.170 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.485 2.735 -5.072 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.525 2.931 -2.724 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.490 4.259 -3.336 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.288 2.676 -5.210 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.496 1.372 -4.348 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.441 3.183 -2.868 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -16.061 1.887 -3.871 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.972 1.480 -1.669 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.690 1.222 -1.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.436 -0.801 -2.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.977 -0.122 -3.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.796 -0.508 -2.628 1.00 0.00 H new ATOM 896 N SER A 62 -6.895 -0.134 -11.412 1.00 0.00 N ATOM 897 CA SER A 62 -7.601 -1.103 -10.526 1.00 0.00 C ATOM 898 C SER A 62 -6.737 -1.422 -9.307 1.00 0.00 C ATOM 899 O SER A 62 -7.240 -1.688 -8.237 1.00 0.00 O ATOM 900 CB SER A 62 -7.873 -2.392 -11.306 1.00 0.00 C ATOM 901 OG SER A 62 -7.805 -3.504 -10.424 1.00 0.00 O ATOM 0 HA SER A 62 -8.542 -0.665 -10.192 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.856 -2.345 -11.774 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.143 -2.505 -12.108 1.00 0.00 H new ATOM 0 HG SER A 62 -7.030 -4.058 -10.655 1.00 0.00 H new ATOM 907 N TYR A 63 -5.440 -1.410 -9.453 1.00 0.00 N ATOM 908 CA TYR A 63 -4.566 -1.733 -8.287 1.00 0.00 C ATOM 909 C TYR A 63 -3.845 -0.475 -7.796 1.00 0.00 C ATOM 910 O TYR A 63 -3.754 0.519 -8.490 1.00 0.00 O ATOM 911 CB TYR A 63 -3.539 -2.787 -8.697 1.00 0.00 C ATOM 912 CG TYR A 63 -4.210 -4.139 -8.796 1.00 0.00 C ATOM 913 CD1 TYR A 63 -5.195 -4.360 -9.766 1.00 0.00 C ATOM 914 CD2 TYR A 63 -3.846 -5.170 -7.921 1.00 0.00 C ATOM 915 CE1 TYR A 63 -5.816 -5.611 -9.859 1.00 0.00 C ATOM 916 CE2 TYR A 63 -4.466 -6.421 -8.016 1.00 0.00 C ATOM 917 CZ TYR A 63 -5.451 -6.641 -8.986 1.00 0.00 C ATOM 918 OH TYR A 63 -6.063 -7.875 -9.079 1.00 0.00 O ATOM 0 H TYR A 63 -4.950 -1.193 -10.321 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.185 -2.120 -7.478 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.092 -2.521 -9.655 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.730 -2.824 -7.967 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.476 -3.566 -10.442 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -3.086 -5.000 -7.172 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.578 -5.781 -10.606 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.185 -7.216 -7.341 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.692 -8.476 -8.400 1.00 0.00 H new ATOM 928 N VAL A 64 -3.340 -0.512 -6.588 1.00 0.00 N ATOM 929 CA VAL A 64 -2.632 0.677 -6.022 1.00 0.00 C ATOM 930 C VAL A 64 -1.463 0.196 -5.149 1.00 0.00 C ATOM 931 O VAL A 64 -1.578 -0.766 -4.423 1.00 0.00 O ATOM 932 CB VAL A 64 -3.643 1.477 -5.190 1.00 0.00 C ATOM 933 CG1 VAL A 64 -2.968 2.658 -4.487 1.00 0.00 C ATOM 934 CG2 VAL A 64 -4.744 2.001 -6.117 1.00 0.00 C ATOM 0 H VAL A 64 -3.388 -1.319 -5.966 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.231 1.311 -6.813 1.00 0.00 H new ATOM 0 HB VAL A 64 -4.065 0.822 -4.428 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.709 3.207 -3.905 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.186 2.288 -3.823 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.528 3.321 -5.232 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.468 2.571 -5.535 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.303 2.644 -6.879 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.245 1.161 -6.598 1.00 0.00 H new ATOM 944 N TRP A 65 -0.331 0.847 -5.219 1.00 0.00 N ATOM 945 CA TRP A 65 0.840 0.398 -4.397 1.00 0.00 C ATOM 946 C TRP A 65 0.665 0.835 -2.938 1.00 0.00 C ATOM 947 O TRP A 65 0.087 1.867 -2.656 1.00 0.00 O ATOM 948 CB TRP A 65 2.128 1.050 -4.930 1.00 0.00 C ATOM 949 CG TRP A 65 2.889 0.141 -5.849 1.00 0.00 C ATOM 950 CD1 TRP A 65 3.499 0.560 -6.979 1.00 0.00 C ATOM 951 CD2 TRP A 65 3.162 -1.292 -5.749 1.00 0.00 C ATOM 952 NE1 TRP A 65 4.127 -0.511 -7.580 1.00 0.00 N ATOM 953 CE2 TRP A 65 3.941 -1.675 -6.869 1.00 0.00 C ATOM 954 CE3 TRP A 65 2.815 -2.291 -4.818 1.00 0.00 C ATOM 955 CZ2 TRP A 65 4.357 -2.990 -7.056 1.00 0.00 C ATOM 956 CZ3 TRP A 65 3.235 -3.617 -5.009 1.00 0.00 C ATOM 957 CH2 TRP A 65 4.003 -3.966 -6.126 1.00 0.00 C ATOM 0 H TRP A 65 -0.164 1.665 -5.805 1.00 0.00 H new ATOM 0 HA TRP A 65 0.903 -0.688 -4.459 1.00 0.00 H new ATOM 0 HB2 TRP A 65 1.875 1.969 -5.459 1.00 0.00 H new ATOM 0 HB3 TRP A 65 2.765 1.330 -4.091 1.00 0.00 H new ATOM 0 HD1 TRP A 65 3.496 1.573 -7.353 1.00 0.00 H new ATOM 0 HE1 TRP A 65 4.663 -0.448 -8.445 1.00 0.00 H new ATOM 0 HE3 TRP A 65 2.222 -2.035 -3.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 4.952 -3.253 -7.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 2.963 -4.374 -4.288 1.00 0.00 H new ATOM 0 HH2 TRP A 65 4.320 -4.989 -6.267 1.00 0.00 H new ATOM 968 N ILE A 66 1.204 0.083 -2.008 1.00 0.00 N ATOM 969 CA ILE A 66 1.117 0.487 -0.574 1.00 0.00 C ATOM 970 C ILE A 66 2.466 0.202 0.089 1.00 0.00 C ATOM 971 O ILE A 66 3.372 -0.323 -0.529 1.00 0.00 O ATOM 972 CB ILE A 66 0.017 -0.294 0.148 1.00 0.00 C ATOM 973 CG1 ILE A 66 0.201 -1.794 -0.075 1.00 0.00 C ATOM 974 CG2 ILE A 66 -1.350 0.128 -0.390 1.00 0.00 C ATOM 975 CD1 ILE A 66 -0.974 -2.544 0.559 1.00 0.00 C ATOM 0 H ILE A 66 1.699 -0.791 -2.182 1.00 0.00 H new ATOM 0 HA ILE A 66 0.874 1.548 -0.513 1.00 0.00 H new ATOM 0 HB ILE A 66 0.078 -0.079 1.215 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.254 -2.012 -1.142 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.141 -2.127 0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.132 -0.430 0.126 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.494 1.195 -0.221 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.401 -0.080 -1.459 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.848 -3.615 0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.005 -2.334 1.628 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.906 -2.217 0.098 1.00 0.00 H new ATOM 987 N GLY A 67 2.622 0.560 1.334 1.00 0.00 N ATOM 988 CA GLY A 67 3.917 0.330 2.022 1.00 0.00 C ATOM 989 C GLY A 67 3.960 -1.068 2.620 1.00 0.00 C ATOM 990 O GLY A 67 4.129 -1.233 3.804 1.00 0.00 O ATOM 0 H GLY A 67 1.902 1.004 1.904 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.738 0.456 1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.055 1.073 2.808 1.00 0.00 H new ATOM 994 N LEU A 68 3.823 -2.074 1.807 1.00 0.00 N ATOM 995 CA LEU A 68 3.888 -3.472 2.327 1.00 0.00 C ATOM 996 C LEU A 68 4.869 -4.263 1.461 1.00 0.00 C ATOM 997 O LEU A 68 4.760 -4.280 0.250 1.00 0.00 O ATOM 998 CB LEU A 68 2.499 -4.119 2.262 1.00 0.00 C ATOM 999 CG LEU A 68 2.380 -5.287 3.267 1.00 0.00 C ATOM 1000 CD1 LEU A 68 3.697 -6.063 3.380 1.00 0.00 C ATOM 1001 CD2 LEU A 68 2.002 -4.749 4.647 1.00 0.00 C ATOM 0 H LEU A 68 3.668 -1.992 0.802 1.00 0.00 H new ATOM 0 HA LEU A 68 4.222 -3.469 3.365 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.736 -3.371 2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.312 -4.484 1.252 1.00 0.00 H new ATOM 0 HG LEU A 68 1.607 -5.962 2.901 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.579 -6.878 4.095 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.964 -6.471 2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.486 -5.393 3.721 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.920 -5.578 5.351 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.770 -4.056 4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.046 -4.229 4.585 1.00 0.00 H new ATOM 1013 N HIS A 69 5.828 -4.922 2.062 1.00 0.00 N ATOM 1014 CA HIS A 69 6.806 -5.709 1.257 1.00 0.00 C ATOM 1015 C HIS A 69 7.025 -7.073 1.895 1.00 0.00 C ATOM 1016 O HIS A 69 6.433 -7.410 2.897 1.00 0.00 O ATOM 1017 CB HIS A 69 8.140 -4.962 1.176 1.00 0.00 C ATOM 1018 CG HIS A 69 8.826 -5.011 2.509 1.00 0.00 C ATOM 1019 ND1 HIS A 69 9.984 -5.744 2.725 1.00 0.00 N ATOM 1020 CD2 HIS A 69 8.525 -4.426 3.708 1.00 0.00 C ATOM 1021 CE1 HIS A 69 10.329 -5.579 4.016 1.00 0.00 C ATOM 1022 NE2 HIS A 69 9.474 -4.784 4.660 1.00 0.00 N ATOM 0 H HIS A 69 5.974 -4.948 3.071 1.00 0.00 H new ATOM 0 HA HIS A 69 6.407 -5.841 0.251 1.00 0.00 H new ATOM 0 HB2 HIS A 69 8.774 -5.412 0.412 1.00 0.00 H new ATOM 0 HB3 HIS A 69 7.971 -3.927 0.880 1.00 0.00 H new ATOM 0 HD2 HIS A 69 7.677 -3.782 3.889 1.00 0.00 H new ATOM 0 HE1 HIS A 69 11.194 -6.035 4.474 1.00 0.00 H new ATOM 0 HE2 HIS A 69 9.508 -4.500 5.639 1.00 0.00 H new ATOM 1180 N TRP A 82 5.726 -10.438 5.390 1.00 0.00 N ATOM 1181 CA TRP A 82 4.873 -9.257 5.042 1.00 0.00 C ATOM 1182 C TRP A 82 4.962 -8.184 6.135 1.00 0.00 C ATOM 1183 O TRP A 82 4.269 -8.247 7.132 1.00 0.00 O ATOM 1184 CB TRP A 82 3.414 -9.702 4.873 1.00 0.00 C ATOM 1185 CG TRP A 82 3.057 -10.716 5.912 1.00 0.00 C ATOM 1186 CD1 TRP A 82 3.463 -12.007 5.913 1.00 0.00 C ATOM 1187 CD2 TRP A 82 2.218 -10.552 7.092 1.00 0.00 C ATOM 1188 NE1 TRP A 82 2.933 -12.642 7.023 1.00 0.00 N ATOM 1189 CE2 TRP A 82 2.159 -11.788 7.779 1.00 0.00 C ATOM 1190 CE3 TRP A 82 1.514 -9.459 7.629 1.00 0.00 C ATOM 1191 CZ2 TRP A 82 1.425 -11.935 8.957 1.00 0.00 C ATOM 1192 CZ3 TRP A 82 0.773 -9.605 8.813 1.00 0.00 C ATOM 1193 CH2 TRP A 82 0.729 -10.839 9.477 1.00 0.00 C ATOM 0 HA TRP A 82 5.235 -8.832 4.106 1.00 0.00 H new ATOM 0 HB2 TRP A 82 2.752 -8.840 4.954 1.00 0.00 H new ATOM 0 HB3 TRP A 82 3.268 -10.124 3.878 1.00 0.00 H new ATOM 0 HD1 TRP A 82 4.097 -12.467 5.169 1.00 0.00 H new ATOM 0 HE1 TRP A 82 3.095 -13.622 7.253 1.00 0.00 H new ATOM 0 HE3 TRP A 82 1.543 -8.503 7.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 1.395 -12.888 9.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 0.233 -8.760 9.215 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.159 -10.943 10.388 1.00 0.00 H new ATOM 1204 N GLU A 83 5.795 -7.186 5.948 1.00 0.00 N ATOM 1205 CA GLU A 83 5.907 -6.101 6.974 1.00 0.00 C ATOM 1206 C GLU A 83 5.622 -4.761 6.305 1.00 0.00 C ATOM 1207 O GLU A 83 5.956 -4.549 5.159 1.00 0.00 O ATOM 1208 CB GLU A 83 7.318 -6.081 7.564 1.00 0.00 C ATOM 1209 CG GLU A 83 7.437 -4.925 8.560 1.00 0.00 C ATOM 1210 CD GLU A 83 8.723 -5.081 9.373 1.00 0.00 C ATOM 1211 OE1 GLU A 83 9.747 -4.590 8.925 1.00 0.00 O ATOM 1212 OE2 GLU A 83 8.663 -5.688 10.430 1.00 0.00 O ATOM 0 H GLU A 83 6.399 -7.077 5.133 1.00 0.00 H new ATOM 0 HA GLU A 83 5.190 -6.283 7.775 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.529 -7.027 8.062 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.055 -5.968 6.769 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.443 -3.973 8.029 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.573 -4.914 9.225 1.00 0.00 H new ATOM 1219 N TRP A 84 5.006 -3.849 7.003 1.00 0.00 N ATOM 1220 CA TRP A 84 4.701 -2.538 6.389 1.00 0.00 C ATOM 1221 C TRP A 84 5.932 -1.642 6.482 1.00 0.00 C ATOM 1222 O TRP A 84 6.581 -1.564 7.507 1.00 0.00 O ATOM 1223 CB TRP A 84 3.529 -1.883 7.124 1.00 0.00 C ATOM 1224 CG TRP A 84 2.849 -2.889 7.995 1.00 0.00 C ATOM 1225 CD1 TRP A 84 3.362 -3.392 9.139 1.00 0.00 C ATOM 1226 CD2 TRP A 84 1.545 -3.515 7.823 1.00 0.00 C ATOM 1227 NE1 TRP A 84 2.463 -4.289 9.676 1.00 0.00 N ATOM 1228 CE2 TRP A 84 1.328 -4.400 8.904 1.00 0.00 C ATOM 1229 CE3 TRP A 84 0.543 -3.404 6.846 1.00 0.00 C ATOM 1230 CZ2 TRP A 84 0.156 -5.148 9.011 1.00 0.00 C ATOM 1231 CZ3 TRP A 84 -0.639 -4.156 6.950 1.00 0.00 C ATOM 1232 CH2 TRP A 84 -0.831 -5.027 8.030 1.00 0.00 C ATOM 0 H TRP A 84 4.703 -3.959 7.971 1.00 0.00 H new ATOM 0 HA TRP A 84 4.430 -2.679 5.343 1.00 0.00 H new ATOM 0 HB2 TRP A 84 3.887 -1.049 7.728 1.00 0.00 H new ATOM 0 HB3 TRP A 84 2.820 -1.474 6.404 1.00 0.00 H new ATOM 0 HD1 TRP A 84 4.321 -3.134 9.564 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.620 -4.808 10.540 1.00 0.00 H new ATOM 0 HE3 TRP A 84 0.682 -2.736 6.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 0.012 -5.817 9.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.404 -4.062 6.193 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -1.741 -5.604 8.104 1.00 0.00 H new ATOM 1243 N SER A 85 6.259 -0.963 5.422 1.00 0.00 N ATOM 1244 CA SER A 85 7.446 -0.073 5.461 1.00 0.00 C ATOM 1245 C SER A 85 7.051 1.271 6.060 1.00 0.00 C ATOM 1246 O SER A 85 7.862 2.165 6.202 1.00 0.00 O ATOM 1247 CB SER A 85 7.991 0.129 4.048 1.00 0.00 C ATOM 1248 OG SER A 85 8.947 1.180 4.058 1.00 0.00 O ATOM 0 H SER A 85 5.758 -0.986 4.534 1.00 0.00 H new ATOM 0 HA SER A 85 8.221 -0.530 6.076 1.00 0.00 H new ATOM 0 HB2 SER A 85 8.450 -0.792 3.688 1.00 0.00 H new ATOM 0 HB3 SER A 85 7.178 0.369 3.363 1.00 0.00 H new ATOM 0 HG SER A 85 8.914 1.644 4.920 1.00 0.00 H new ATOM 1288 N VAL A 89 5.397 -3.031 12.573 1.00 0.00 N ATOM 1289 CA VAL A 89 5.423 -4.516 12.433 1.00 0.00 C ATOM 1290 C VAL A 89 4.022 -5.029 12.090 1.00 0.00 C ATOM 1291 O VAL A 89 3.082 -4.269 11.968 1.00 0.00 O ATOM 1292 CB VAL A 89 5.890 -5.135 13.755 1.00 0.00 C ATOM 1293 CG1 VAL A 89 6.100 -6.646 13.584 1.00 0.00 C ATOM 1294 CG2 VAL A 89 7.207 -4.481 14.180 1.00 0.00 C ATOM 0 HA VAL A 89 6.109 -4.796 11.633 1.00 0.00 H new ATOM 0 HB VAL A 89 5.131 -4.967 14.519 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.432 -7.076 14.529 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.162 -7.112 13.283 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.856 -6.824 12.819 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.543 -4.918 15.120 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.961 -4.649 13.411 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.055 -3.410 14.312 1.00 0.00 H new ATOM 1304 N MET A 90 3.881 -6.315 11.928 1.00 0.00 N ATOM 1305 CA MET A 90 2.552 -6.896 11.581 1.00 0.00 C ATOM 1306 C MET A 90 1.573 -6.751 12.749 1.00 0.00 C ATOM 1307 O MET A 90 1.460 -7.633 13.578 1.00 0.00 O ATOM 1308 CB MET A 90 2.721 -8.384 11.267 1.00 0.00 C ATOM 1309 CG MET A 90 3.597 -8.553 10.026 1.00 0.00 C ATOM 1310 SD MET A 90 3.845 -10.317 9.708 1.00 0.00 S ATOM 1311 CE MET A 90 5.351 -10.516 10.691 1.00 0.00 C ATOM 0 H MET A 90 4.636 -6.995 12.022 1.00 0.00 H new ATOM 0 HA MET A 90 2.156 -6.362 10.717 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.174 -8.895 12.116 1.00 0.00 H new ATOM 0 HB3 MET A 90 1.747 -8.843 11.101 1.00 0.00 H new ATOM 0 HG2 MET A 90 3.125 -8.079 9.166 1.00 0.00 H new ATOM 0 HG3 MET A 90 4.557 -8.059 10.174 1.00 0.00 H new ATOM 0 HE1 MET A 90 5.687 -11.551 10.636 1.00 0.00 H new ATOM 0 HE2 MET A 90 6.129 -9.860 10.301 1.00 0.00 H new ATOM 0 HE3 MET A 90 5.145 -10.256 11.729 1.00 0.00 H new ATOM 1321 N ASN A 91 0.839 -5.669 12.809 1.00 0.00 N ATOM 1322 CA ASN A 91 -0.154 -5.508 13.910 1.00 0.00 C ATOM 1323 C ASN A 91 -1.549 -5.717 13.314 1.00 0.00 C ATOM 1324 O ASN A 91 -2.554 -5.520 13.967 1.00 0.00 O ATOM 1325 CB ASN A 91 -0.037 -4.102 14.523 1.00 0.00 C ATOM 1326 CG ASN A 91 0.160 -4.212 16.039 1.00 0.00 C ATOM 1327 OD1 ASN A 91 1.201 -3.856 16.554 1.00 0.00 O ATOM 1328 ND2 ASN A 91 -0.803 -4.690 16.777 1.00 0.00 N ATOM 0 H ASN A 91 0.885 -4.895 12.146 1.00 0.00 H new ATOM 0 HA ASN A 91 0.030 -6.235 14.701 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.802 -3.569 14.076 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.935 -3.524 14.305 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -0.682 -4.765 17.787 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -1.677 -4.989 16.344 1.00 0.00 H new ATOM 1335 N TYR A 92 -1.606 -6.123 12.071 1.00 0.00 N ATOM 1336 CA TYR A 92 -2.923 -6.358 11.414 1.00 0.00 C ATOM 1337 C TYR A 92 -2.729 -7.261 10.191 1.00 0.00 C ATOM 1338 O TYR A 92 -1.642 -7.378 9.664 1.00 0.00 O ATOM 1339 CB TYR A 92 -3.523 -5.023 10.976 1.00 0.00 C ATOM 1340 CG TYR A 92 -4.820 -5.253 10.232 1.00 0.00 C ATOM 1341 CD1 TYR A 92 -5.856 -5.987 10.825 1.00 0.00 C ATOM 1342 CD2 TYR A 92 -4.986 -4.729 8.943 1.00 0.00 C ATOM 1343 CE1 TYR A 92 -7.052 -6.198 10.131 1.00 0.00 C ATOM 1344 CE2 TYR A 92 -6.184 -4.939 8.251 1.00 0.00 C ATOM 1345 CZ TYR A 92 -7.216 -5.675 8.845 1.00 0.00 C ATOM 1346 OH TYR A 92 -8.397 -5.884 8.160 1.00 0.00 O ATOM 0 H TYR A 92 -0.792 -6.302 11.482 1.00 0.00 H new ATOM 0 HA TYR A 92 -3.599 -6.842 12.119 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -3.702 -4.393 11.847 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.818 -4.491 10.337 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -5.731 -6.390 11.819 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -4.189 -4.163 8.484 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -7.849 -6.765 10.589 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -6.312 -4.533 7.258 1.00 0.00 H new ATOM 0 HH TYR A 92 -8.346 -5.453 7.281 1.00 0.00 H new ATOM 1356 N PHE A 93 -3.773 -7.909 9.737 1.00 0.00 N ATOM 1357 CA PHE A 93 -3.639 -8.807 8.548 1.00 0.00 C ATOM 1358 C PHE A 93 -4.807 -8.571 7.584 1.00 0.00 C ATOM 1359 O PHE A 93 -5.915 -8.293 7.994 1.00 0.00 O ATOM 1360 CB PHE A 93 -3.652 -10.266 9.011 1.00 0.00 C ATOM 1361 CG PHE A 93 -4.730 -10.457 10.049 1.00 0.00 C ATOM 1362 CD1 PHE A 93 -6.033 -10.781 9.653 1.00 0.00 C ATOM 1363 CD2 PHE A 93 -4.428 -10.309 11.408 1.00 0.00 C ATOM 1364 CE1 PHE A 93 -7.034 -10.959 10.616 1.00 0.00 C ATOM 1365 CE2 PHE A 93 -5.429 -10.487 12.371 1.00 0.00 C ATOM 1366 CZ PHE A 93 -6.732 -10.812 11.975 1.00 0.00 C ATOM 0 H PHE A 93 -4.710 -7.856 10.137 1.00 0.00 H new ATOM 0 HA PHE A 93 -2.701 -8.590 8.037 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.829 -10.926 8.162 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -2.681 -10.535 9.427 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -6.266 -10.894 8.605 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -3.423 -10.058 11.714 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -8.039 -11.210 10.310 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -5.196 -10.374 13.419 1.00 0.00 H new ATOM 0 HZ PHE A 93 -7.504 -10.949 12.718 1.00 0.00 H new ATOM 1376 N ALA A 94 -4.566 -8.685 6.303 1.00 0.00 N ATOM 1377 CA ALA A 94 -5.665 -8.473 5.316 1.00 0.00 C ATOM 1378 C ALA A 94 -5.185 -8.861 3.910 1.00 0.00 C ATOM 1379 O ALA A 94 -5.715 -8.403 2.916 1.00 0.00 O ATOM 1380 CB ALA A 94 -6.087 -7.000 5.328 1.00 0.00 C ATOM 0 H ALA A 94 -3.658 -8.915 5.899 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.517 -9.097 5.587 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -6.890 -6.846 4.607 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.437 -6.730 6.324 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.235 -6.375 5.061 1.00 0.00 H new ATOM 1386 N TRP A 95 -4.190 -9.700 3.816 1.00 0.00 N ATOM 1387 CA TRP A 95 -3.686 -10.111 2.474 1.00 0.00 C ATOM 1388 C TRP A 95 -4.674 -11.099 1.842 1.00 0.00 C ATOM 1389 O TRP A 95 -5.413 -11.776 2.526 1.00 0.00 O ATOM 1390 CB TRP A 95 -2.309 -10.772 2.621 1.00 0.00 C ATOM 1391 CG TRP A 95 -2.174 -11.356 3.992 1.00 0.00 C ATOM 1392 CD1 TRP A 95 -1.470 -10.801 5.006 1.00 0.00 C ATOM 1393 CD2 TRP A 95 -2.744 -12.589 4.517 1.00 0.00 C ATOM 1394 NE1 TRP A 95 -1.571 -11.616 6.119 1.00 0.00 N ATOM 1395 CE2 TRP A 95 -2.346 -12.731 5.868 1.00 0.00 C ATOM 1396 CE3 TRP A 95 -3.561 -13.591 3.960 1.00 0.00 C ATOM 1397 CZ2 TRP A 95 -2.743 -13.825 6.639 1.00 0.00 C ATOM 1398 CZ3 TRP A 95 -3.961 -14.693 4.731 1.00 0.00 C ATOM 1399 CH2 TRP A 95 -3.553 -14.810 6.067 1.00 0.00 C ATOM 0 H TRP A 95 -3.704 -10.119 4.609 1.00 0.00 H new ATOM 0 HA TRP A 95 -3.593 -9.234 1.834 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -2.187 -11.552 1.869 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.522 -10.038 2.449 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -0.919 -9.873 4.955 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -1.127 -11.418 7.016 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.882 -13.511 2.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -2.427 -13.909 7.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -4.587 -15.456 4.292 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.865 -15.661 6.654 1.00 0.00 H new ATOM 1410 N GLU A 96 -4.692 -11.181 0.539 1.00 0.00 N ATOM 1411 CA GLU A 96 -5.631 -12.121 -0.137 1.00 0.00 C ATOM 1412 C GLU A 96 -5.187 -13.563 0.122 1.00 0.00 C ATOM 1413 O GLU A 96 -5.959 -14.389 0.567 1.00 0.00 O ATOM 1414 CB GLU A 96 -5.630 -11.850 -1.644 1.00 0.00 C ATOM 1415 CG GLU A 96 -6.866 -12.486 -2.282 1.00 0.00 C ATOM 1416 CD GLU A 96 -6.903 -12.149 -3.774 1.00 0.00 C ATOM 1417 OE1 GLU A 96 -7.076 -10.984 -4.093 1.00 0.00 O ATOM 1418 OE2 GLU A 96 -6.757 -13.061 -4.569 1.00 0.00 O ATOM 0 H GLU A 96 -4.097 -10.638 -0.086 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.636 -11.974 0.258 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.624 -10.776 -1.830 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -4.725 -12.257 -2.096 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.844 -13.567 -2.143 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.769 -12.120 -1.794 1.00 0.00 H new ATOM 1564 N HIS A 107 7.849 -9.009 -4.209 1.00 0.00 N ATOM 1565 CA HIS A 107 8.257 -8.620 -2.825 1.00 0.00 C ATOM 1566 C HIS A 107 7.547 -7.321 -2.437 1.00 0.00 C ATOM 1567 O HIS A 107 8.022 -6.563 -1.615 1.00 0.00 O ATOM 1568 CB HIS A 107 9.777 -8.420 -2.774 1.00 0.00 C ATOM 1569 CG HIS A 107 10.443 -9.400 -3.702 1.00 0.00 C ATOM 1570 ND1 HIS A 107 10.229 -10.763 -3.616 1.00 0.00 N ATOM 1571 CD2 HIS A 107 11.322 -9.226 -4.741 1.00 0.00 C ATOM 1572 CE1 HIS A 107 10.965 -11.347 -4.578 1.00 0.00 C ATOM 1573 NE2 HIS A 107 11.649 -10.457 -5.291 1.00 0.00 N ATOM 0 HA HIS A 107 7.979 -9.408 -2.125 1.00 0.00 H new ATOM 0 HB2 HIS A 107 10.030 -7.400 -3.062 1.00 0.00 H new ATOM 0 HB3 HIS A 107 10.139 -8.563 -1.756 1.00 0.00 H new ATOM 0 HD2 HIS A 107 11.702 -8.274 -5.080 1.00 0.00 H new ATOM 0 HE1 HIS A 107 10.997 -12.413 -4.751 1.00 0.00 H new ATOM 0 HE2 HIS A 107 12.278 -10.640 -6.073 1.00 0.00 H new ATOM 1581 N CYS A 108 6.406 -7.065 -3.021 1.00 0.00 N ATOM 1582 CA CYS A 108 5.651 -5.824 -2.688 1.00 0.00 C ATOM 1583 C CYS A 108 4.152 -6.103 -2.796 1.00 0.00 C ATOM 1584 O CYS A 108 3.713 -6.839 -3.656 1.00 0.00 O ATOM 1585 CB CYS A 108 6.034 -4.711 -3.662 1.00 0.00 C ATOM 1586 SG CYS A 108 7.717 -4.156 -3.305 1.00 0.00 S ATOM 0 H CYS A 108 5.964 -7.665 -3.717 1.00 0.00 H new ATOM 0 HA CYS A 108 5.894 -5.511 -1.673 1.00 0.00 H new ATOM 0 HB2 CYS A 108 5.968 -5.072 -4.688 1.00 0.00 H new ATOM 0 HB3 CYS A 108 5.337 -3.878 -3.572 1.00 0.00 H new ATOM 1591 N ALA A 109 3.361 -5.529 -1.926 1.00 0.00 N ATOM 1592 CA ALA A 109 1.889 -5.771 -1.979 1.00 0.00 C ATOM 1593 C ALA A 109 1.166 -4.519 -2.489 1.00 0.00 C ATOM 1594 O ALA A 109 1.602 -3.396 -2.291 1.00 0.00 O ATOM 1595 CB ALA A 109 1.375 -6.138 -0.581 1.00 0.00 C ATOM 0 H ALA A 109 3.671 -4.904 -1.182 1.00 0.00 H new ATOM 0 HA ALA A 109 1.689 -6.595 -2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.300 -6.314 -0.623 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.877 -7.041 -0.234 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.582 -5.320 0.109 1.00 0.00 H new ATOM 1601 N SER A 110 0.060 -4.720 -3.148 1.00 0.00 N ATOM 1602 CA SER A 110 -0.727 -3.581 -3.697 1.00 0.00 C ATOM 1603 C SER A 110 -2.216 -3.867 -3.473 1.00 0.00 C ATOM 1604 O SER A 110 -2.601 -4.983 -3.192 1.00 0.00 O ATOM 1605 CB SER A 110 -0.440 -3.444 -5.197 1.00 0.00 C ATOM 1606 OG SER A 110 0.732 -4.182 -5.518 1.00 0.00 O ATOM 0 H SER A 110 -0.338 -5.641 -3.332 1.00 0.00 H new ATOM 0 HA SER A 110 -0.451 -2.652 -3.198 1.00 0.00 H new ATOM 0 HB2 SER A 110 -1.286 -3.813 -5.777 1.00 0.00 H new ATOM 0 HB3 SER A 110 -0.307 -2.395 -5.460 1.00 0.00 H new ATOM 0 HG SER A 110 1.497 -3.809 -5.032 1.00 0.00 H new ATOM 1612 N LEU A 111 -3.055 -2.881 -3.602 1.00 0.00 N ATOM 1613 CA LEU A 111 -4.510 -3.117 -3.400 1.00 0.00 C ATOM 1614 C LEU A 111 -5.105 -3.615 -4.715 1.00 0.00 C ATOM 1615 O LEU A 111 -4.663 -3.246 -5.781 1.00 0.00 O ATOM 1616 CB LEU A 111 -5.199 -1.805 -3.003 1.00 0.00 C ATOM 1617 CG LEU A 111 -4.672 -1.311 -1.643 1.00 0.00 C ATOM 1618 CD1 LEU A 111 -4.278 0.166 -1.741 1.00 0.00 C ATOM 1619 CD2 LEU A 111 -5.764 -1.456 -0.582 1.00 0.00 C ATOM 0 H LEU A 111 -2.798 -1.923 -3.838 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.659 -3.853 -2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -5.020 -1.048 -3.766 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -6.277 -1.955 -2.949 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.803 -1.908 -1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -3.906 0.508 -0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.498 0.285 -2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.149 0.757 -2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -5.387 -1.105 0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -6.632 -0.863 -0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -6.053 -2.504 -0.498 1.00 0.00 H new ATOM 1631 N SER A 112 -6.093 -4.460 -4.644 1.00 0.00 N ATOM 1632 CA SER A 112 -6.721 -5.002 -5.888 1.00 0.00 C ATOM 1633 C SER A 112 -8.179 -4.539 -5.971 1.00 0.00 C ATOM 1634 O SER A 112 -8.997 -4.894 -5.146 1.00 0.00 O ATOM 1635 CB SER A 112 -6.680 -6.530 -5.847 1.00 0.00 C ATOM 1636 OG SER A 112 -5.407 -6.951 -5.377 1.00 0.00 O ATOM 0 H SER A 112 -6.498 -4.803 -3.773 1.00 0.00 H new ATOM 0 HA SER A 112 -6.175 -4.640 -6.759 1.00 0.00 H new ATOM 0 HB2 SER A 112 -7.466 -6.909 -5.194 1.00 0.00 H new ATOM 0 HB3 SER A 112 -6.867 -6.937 -6.841 1.00 0.00 H new ATOM 0 HG SER A 112 -4.704 -6.498 -5.887 1.00 0.00 H new ATOM 1642 N ARG A 113 -8.512 -3.753 -6.959 1.00 0.00 N ATOM 1643 CA ARG A 113 -9.923 -3.276 -7.082 1.00 0.00 C ATOM 1644 C ARG A 113 -10.868 -4.480 -7.124 1.00 0.00 C ATOM 1645 O ARG A 113 -12.005 -4.403 -6.704 1.00 0.00 O ATOM 1646 CB ARG A 113 -10.082 -2.460 -8.368 1.00 0.00 C ATOM 1647 CG ARG A 113 -11.567 -2.123 -8.594 1.00 0.00 C ATOM 1648 CD ARG A 113 -12.156 -3.052 -9.662 1.00 0.00 C ATOM 1649 NE ARG A 113 -11.735 -2.583 -11.013 1.00 0.00 N ATOM 1650 CZ ARG A 113 -11.781 -3.399 -12.030 1.00 0.00 C ATOM 1651 NH1 ARG A 113 -11.064 -4.489 -12.026 1.00 0.00 N ATOM 1652 NH2 ARG A 113 -12.543 -3.123 -13.053 1.00 0.00 N ATOM 0 H ARG A 113 -7.874 -3.421 -7.683 1.00 0.00 H new ATOM 0 HA ARG A 113 -10.167 -2.650 -6.224 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -9.498 -1.542 -8.301 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -9.695 -3.023 -9.217 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -12.120 -2.231 -7.661 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -11.670 -1.084 -8.907 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -11.816 -4.075 -9.498 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -13.244 -3.062 -9.591 1.00 0.00 H new ATOM 0 HE ARG A 113 -11.411 -1.624 -11.142 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -10.467 -4.704 -11.227 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -11.101 -5.126 -12.821 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -13.102 -2.270 -13.057 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -12.579 -3.760 -13.848 1.00 0.00 H new ATOM 1666 N SER A 114 -10.409 -5.591 -7.631 1.00 0.00 N ATOM 1667 CA SER A 114 -11.286 -6.794 -7.704 1.00 0.00 C ATOM 1668 C SER A 114 -11.808 -7.133 -6.307 1.00 0.00 C ATOM 1669 O SER A 114 -12.770 -7.859 -6.152 1.00 0.00 O ATOM 1670 CB SER A 114 -10.482 -7.977 -8.246 1.00 0.00 C ATOM 1671 OG SER A 114 -9.524 -8.379 -7.277 1.00 0.00 O ATOM 0 H SER A 114 -9.466 -5.718 -7.998 1.00 0.00 H new ATOM 0 HA SER A 114 -12.127 -6.589 -8.366 1.00 0.00 H new ATOM 0 HB2 SER A 114 -11.148 -8.807 -8.481 1.00 0.00 H new ATOM 0 HB3 SER A 114 -9.982 -7.697 -9.173 1.00 0.00 H new ATOM 0 HG SER A 114 -9.009 -9.138 -7.622 1.00 0.00 H new ATOM 1677 N THR A 115 -11.177 -6.613 -5.285 1.00 0.00 N ATOM 1678 CA THR A 115 -11.628 -6.901 -3.890 1.00 0.00 C ATOM 1679 C THR A 115 -12.031 -5.595 -3.203 1.00 0.00 C ATOM 1680 O THR A 115 -11.940 -5.462 -1.999 1.00 0.00 O ATOM 1681 CB THR A 115 -10.480 -7.549 -3.114 1.00 0.00 C ATOM 1682 OG1 THR A 115 -9.332 -6.717 -3.190 1.00 0.00 O ATOM 1683 CG2 THR A 115 -10.163 -8.918 -3.716 1.00 0.00 C ATOM 0 H THR A 115 -10.366 -5.999 -5.357 1.00 0.00 H new ATOM 0 HA THR A 115 -12.483 -7.576 -3.915 1.00 0.00 H new ATOM 0 HB THR A 115 -10.770 -7.674 -2.071 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.504 -5.979 -3.811 1.00 0.00 H new ATOM 0 HG21 THR A 115 -9.345 -9.378 -3.162 1.00 0.00 H new ATOM 0 HG22 THR A 115 -11.045 -9.555 -3.656 1.00 0.00 H new ATOM 0 HG23 THR A 115 -9.872 -8.798 -4.760 1.00 0.00 H new ATOM 1691 N ALA A 116 -12.474 -4.628 -3.960 1.00 0.00 N ATOM 1692 CA ALA A 116 -12.878 -3.330 -3.352 1.00 0.00 C ATOM 1693 C ALA A 116 -11.676 -2.704 -2.640 1.00 0.00 C ATOM 1694 O ALA A 116 -11.824 -1.944 -1.704 1.00 0.00 O ATOM 1695 CB ALA A 116 -14.007 -3.564 -2.346 1.00 0.00 C ATOM 0 H ALA A 116 -12.573 -4.682 -4.974 1.00 0.00 H new ATOM 0 HA ALA A 116 -13.227 -2.656 -4.134 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -14.302 -2.613 -1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -14.863 -4.007 -2.856 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -13.662 -4.239 -1.563 1.00 0.00 H new ATOM 1701 N PHE A 117 -10.489 -3.022 -3.078 1.00 0.00 N ATOM 1702 CA PHE A 117 -9.269 -2.453 -2.436 1.00 0.00 C ATOM 1703 C PHE A 117 -9.223 -2.874 -0.966 1.00 0.00 C ATOM 1704 O PHE A 117 -8.703 -2.166 -0.127 1.00 0.00 O ATOM 1705 CB PHE A 117 -9.294 -0.924 -2.528 1.00 0.00 C ATOM 1706 CG PHE A 117 -9.586 -0.502 -3.949 1.00 0.00 C ATOM 1707 CD1 PHE A 117 -8.540 -0.388 -4.873 1.00 0.00 C ATOM 1708 CD2 PHE A 117 -10.901 -0.221 -4.342 1.00 0.00 C ATOM 1709 CE1 PHE A 117 -8.809 0.007 -6.189 1.00 0.00 C ATOM 1710 CE2 PHE A 117 -11.168 0.175 -5.657 1.00 0.00 C ATOM 1711 CZ PHE A 117 -10.123 0.288 -6.581 1.00 0.00 C ATOM 0 H PHE A 117 -10.310 -3.655 -3.857 1.00 0.00 H new ATOM 0 HA PHE A 117 -8.386 -2.828 -2.953 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -10.053 -0.522 -1.856 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -8.336 -0.515 -2.207 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -7.526 -0.605 -4.571 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -11.708 -0.310 -3.630 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -8.002 0.095 -6.902 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -12.181 0.394 -5.959 1.00 0.00 H new ATOM 0 HZ PHE A 117 -10.330 0.592 -7.596 1.00 0.00 H new ATOM 1721 N LEU A 118 -9.763 -4.021 -0.648 1.00 0.00 N ATOM 1722 CA LEU A 118 -9.755 -4.492 0.769 1.00 0.00 C ATOM 1723 C LEU A 118 -8.829 -5.706 0.902 1.00 0.00 C ATOM 1724 O LEU A 118 -8.782 -6.348 1.932 1.00 0.00 O ATOM 1725 CB LEU A 118 -11.175 -4.887 1.178 1.00 0.00 C ATOM 1726 CG LEU A 118 -12.076 -3.647 1.202 1.00 0.00 C ATOM 1727 CD1 LEU A 118 -13.506 -4.068 1.547 1.00 0.00 C ATOM 1728 CD2 LEU A 118 -11.569 -2.646 2.251 1.00 0.00 C ATOM 0 H LEU A 118 -10.211 -4.654 -1.311 1.00 0.00 H new ATOM 0 HA LEU A 118 -9.396 -3.692 1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.573 -5.623 0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -11.162 -5.357 2.162 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.058 -3.172 0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -14.150 -3.189 1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.870 -4.769 0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.518 -4.547 2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -12.216 -1.769 2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -11.579 -3.114 3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.551 -2.344 2.003 1.00 0.00 H new ATOM 1740 N ARG A 119 -8.090 -6.020 -0.130 1.00 0.00 N ATOM 1741 CA ARG A 119 -7.164 -7.188 -0.062 1.00 0.00 C ATOM 1742 C ARG A 119 -5.829 -6.805 -0.705 1.00 0.00 C ATOM 1743 O ARG A 119 -5.786 -6.091 -1.687 1.00 0.00 O ATOM 1744 CB ARG A 119 -7.772 -8.373 -0.814 1.00 0.00 C ATOM 1745 CG ARG A 119 -9.020 -8.868 -0.075 1.00 0.00 C ATOM 1746 CD ARG A 119 -8.624 -9.469 1.281 1.00 0.00 C ATOM 1747 NE ARG A 119 -9.600 -10.532 1.654 1.00 0.00 N ATOM 1748 CZ ARG A 119 -10.703 -10.218 2.276 1.00 0.00 C ATOM 1749 NH1 ARG A 119 -11.192 -9.014 2.170 1.00 0.00 N ATOM 1750 NH2 ARG A 119 -11.317 -11.110 3.006 1.00 0.00 N ATOM 0 H ARG A 119 -8.088 -5.517 -1.017 1.00 0.00 H new ATOM 0 HA ARG A 119 -7.005 -7.469 0.979 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -8.033 -8.076 -1.830 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -7.042 -9.178 -0.895 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -9.716 -8.042 0.073 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -9.536 -9.616 -0.677 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -7.618 -9.886 1.227 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -8.606 -8.692 2.045 1.00 0.00 H new ATOM 0 HE ARG A 119 -9.405 -11.506 1.423 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -10.712 -8.317 1.601 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -12.054 -8.769 2.657 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -10.934 -12.052 3.090 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -12.179 -10.865 3.492 1.00 0.00 H new ATOM 1764 N TRP A 120 -4.739 -7.269 -0.156 1.00 0.00 N ATOM 1765 CA TRP A 120 -3.405 -6.924 -0.731 1.00 0.00 C ATOM 1766 C TRP A 120 -2.910 -8.062 -1.626 1.00 0.00 C ATOM 1767 O TRP A 120 -2.976 -9.221 -1.268 1.00 0.00 O ATOM 1768 CB TRP A 120 -2.404 -6.711 0.407 1.00 0.00 C ATOM 1769 CG TRP A 120 -2.974 -5.756 1.405 1.00 0.00 C ATOM 1770 CD1 TRP A 120 -3.540 -4.564 1.108 1.00 0.00 C ATOM 1771 CD2 TRP A 120 -3.038 -5.891 2.854 1.00 0.00 C ATOM 1772 NE1 TRP A 120 -3.948 -3.958 2.283 1.00 0.00 N ATOM 1773 CE2 TRP A 120 -3.661 -4.737 3.386 1.00 0.00 C ATOM 1774 CE3 TRP A 120 -2.620 -6.892 3.747 1.00 0.00 C ATOM 1775 CZ2 TRP A 120 -3.863 -4.584 4.758 1.00 0.00 C ATOM 1776 CZ3 TRP A 120 -2.821 -6.742 5.129 1.00 0.00 C ATOM 1777 CH2 TRP A 120 -3.441 -5.590 5.632 1.00 0.00 C ATOM 0 H TRP A 120 -4.714 -7.872 0.666 1.00 0.00 H new ATOM 0 HA TRP A 120 -3.497 -6.014 -1.323 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -2.177 -7.663 0.888 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -1.466 -6.322 0.011 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -3.655 -4.153 0.116 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -4.405 -3.047 2.329 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -2.141 -7.783 3.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -4.342 -3.695 5.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -2.496 -7.518 5.807 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -3.593 -5.480 6.696 1.00 0.00 H new ATOM 1788 N LYS A 121 -2.400 -7.734 -2.786 1.00 0.00 N ATOM 1789 CA LYS A 121 -1.881 -8.786 -3.712 1.00 0.00 C ATOM 1790 C LYS A 121 -0.410 -8.514 -4.008 1.00 0.00 C ATOM 1791 O LYS A 121 0.019 -7.382 -4.091 1.00 0.00 O ATOM 1792 CB LYS A 121 -2.684 -8.766 -5.016 1.00 0.00 C ATOM 1793 CG LYS A 121 -2.440 -10.066 -5.787 1.00 0.00 C ATOM 1794 CD LYS A 121 -3.363 -10.116 -7.008 1.00 0.00 C ATOM 1795 CE LYS A 121 -3.375 -11.536 -7.579 1.00 0.00 C ATOM 1796 NZ LYS A 121 -4.269 -11.582 -8.772 1.00 0.00 N ATOM 0 H LYS A 121 -2.320 -6.778 -3.133 1.00 0.00 H new ATOM 0 HA LYS A 121 -1.983 -9.766 -3.246 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -3.746 -8.653 -4.799 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.390 -7.910 -5.623 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -1.398 -10.124 -6.103 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -2.626 -10.925 -5.142 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -4.373 -9.817 -6.727 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -3.021 -9.411 -7.765 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -2.365 -11.837 -7.856 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -3.722 -12.241 -6.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -4.279 -12.546 -9.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -5.234 -11.311 -8.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -3.919 -10.920 -9.494 1.00 0.00 H new ATOM 1810 N ASP A 122 0.370 -9.549 -4.154 1.00 0.00 N ATOM 1811 CA ASP A 122 1.817 -9.350 -4.426 1.00 0.00 C ATOM 1812 C ASP A 122 2.014 -8.828 -5.852 1.00 0.00 C ATOM 1813 O ASP A 122 1.233 -9.108 -6.739 1.00 0.00 O ATOM 1814 CB ASP A 122 2.554 -10.681 -4.262 1.00 0.00 C ATOM 1815 CG ASP A 122 2.377 -11.191 -2.830 1.00 0.00 C ATOM 1816 OD1 ASP A 122 1.324 -11.735 -2.543 1.00 0.00 O ATOM 1817 OD2 ASP A 122 3.297 -11.028 -2.046 1.00 0.00 O ATOM 0 H ASP A 122 0.067 -10.521 -4.097 1.00 0.00 H new ATOM 0 HA ASP A 122 2.217 -8.621 -3.721 1.00 0.00 H new ATOM 0 HB2 ASP A 122 2.166 -11.413 -4.970 1.00 0.00 H new ATOM 0 HB3 ASP A 122 3.613 -10.552 -4.485 1.00 0.00 H new ATOM 1822 N TYR A 123 3.056 -8.072 -6.079 1.00 0.00 N ATOM 1823 CA TYR A 123 3.303 -7.533 -7.449 1.00 0.00 C ATOM 1824 C TYR A 123 4.792 -7.191 -7.608 1.00 0.00 C ATOM 1825 O TYR A 123 5.494 -6.964 -6.643 1.00 0.00 O ATOM 1826 CB TYR A 123 2.453 -6.270 -7.656 1.00 0.00 C ATOM 1827 CG TYR A 123 1.257 -6.594 -8.522 1.00 0.00 C ATOM 1828 CD1 TYR A 123 1.390 -6.629 -9.915 1.00 0.00 C ATOM 1829 CD2 TYR A 123 0.016 -6.860 -7.930 1.00 0.00 C ATOM 1830 CE1 TYR A 123 0.283 -6.929 -10.717 1.00 0.00 C ATOM 1831 CE2 TYR A 123 -1.092 -7.159 -8.733 1.00 0.00 C ATOM 1832 CZ TYR A 123 -0.958 -7.194 -10.126 1.00 0.00 C ATOM 1833 OH TYR A 123 -2.050 -7.490 -10.917 1.00 0.00 O ATOM 0 H TYR A 123 3.746 -7.805 -5.376 1.00 0.00 H new ATOM 0 HA TYR A 123 3.029 -8.281 -8.193 1.00 0.00 H new ATOM 0 HB2 TYR A 123 2.122 -5.882 -6.693 1.00 0.00 H new ATOM 0 HB3 TYR A 123 3.053 -5.490 -8.125 1.00 0.00 H new ATOM 0 HD1 TYR A 123 2.347 -6.424 -10.371 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -0.087 -6.835 -6.855 1.00 0.00 H new ATOM 0 HE1 TYR A 123 0.386 -6.956 -11.792 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -2.050 -7.363 -8.277 1.00 0.00 H new ATOM 0 HH TYR A 123 -2.832 -7.649 -10.348 1.00 0.00 H new ATOM 1843 N ASN A 124 5.274 -7.154 -8.823 1.00 0.00 N ATOM 1844 CA ASN A 124 6.712 -6.827 -9.051 1.00 0.00 C ATOM 1845 C ASN A 124 7.033 -5.472 -8.418 1.00 0.00 C ATOM 1846 O ASN A 124 6.534 -4.447 -8.835 1.00 0.00 O ATOM 1847 CB ASN A 124 6.989 -6.767 -10.555 1.00 0.00 C ATOM 1848 CG ASN A 124 7.034 -8.186 -11.125 1.00 0.00 C ATOM 1849 OD1 ASN A 124 8.007 -8.893 -10.948 1.00 0.00 O ATOM 1850 ND2 ASN A 124 6.016 -8.635 -11.804 1.00 0.00 N ATOM 0 H ASN A 124 4.733 -7.336 -9.668 1.00 0.00 H new ATOM 0 HA ASN A 124 7.337 -7.597 -8.597 1.00 0.00 H new ATOM 0 HB2 ASN A 124 6.213 -6.188 -11.055 1.00 0.00 H new ATOM 0 HB3 ASN A 124 7.935 -6.259 -10.741 1.00 0.00 H new ATOM 0 HD21 ASN A 124 6.035 -9.580 -12.187 1.00 0.00 H new ATOM 0 HD22 ASN A 124 5.200 -8.041 -11.952 1.00 0.00 H new ATOM 1857 N CYS A 125 7.857 -5.464 -7.408 1.00 0.00 N ATOM 1858 CA CYS A 125 8.211 -4.185 -6.724 1.00 0.00 C ATOM 1859 C CYS A 125 8.600 -3.106 -7.741 1.00 0.00 C ATOM 1860 O CYS A 125 8.834 -1.970 -7.377 1.00 0.00 O ATOM 1861 CB CYS A 125 9.401 -4.425 -5.793 1.00 0.00 C ATOM 1862 SG CYS A 125 8.875 -5.414 -4.375 1.00 0.00 S ATOM 0 H CYS A 125 8.305 -6.295 -7.022 1.00 0.00 H new ATOM 0 HA CYS A 125 7.341 -3.846 -6.162 1.00 0.00 H new ATOM 0 HB2 CYS A 125 10.198 -4.938 -6.331 1.00 0.00 H new ATOM 0 HB3 CYS A 125 9.807 -3.472 -5.453 1.00 0.00 H new ATOM 1867 N ASN A 126 8.696 -3.439 -9.001 1.00 0.00 N ATOM 1868 CA ASN A 126 9.100 -2.407 -10.004 1.00 0.00 C ATOM 1869 C ASN A 126 7.881 -1.881 -10.771 1.00 0.00 C ATOM 1870 O ASN A 126 7.845 -0.731 -11.163 1.00 0.00 O ATOM 1871 CB ASN A 126 10.096 -3.019 -10.990 1.00 0.00 C ATOM 1872 CG ASN A 126 11.374 -3.413 -10.247 1.00 0.00 C ATOM 1873 OD1 ASN A 126 11.385 -3.492 -9.034 1.00 0.00 O ATOM 1874 ND2 ASN A 126 12.457 -3.667 -10.927 1.00 0.00 N ATOM 0 H ASN A 126 8.515 -4.370 -9.377 1.00 0.00 H new ATOM 0 HA ASN A 126 9.562 -1.573 -9.475 1.00 0.00 H new ATOM 0 HB2 ASN A 126 9.658 -3.894 -11.470 1.00 0.00 H new ATOM 0 HB3 ASN A 126 10.328 -2.304 -11.780 1.00 0.00 H new ATOM 0 HD21 ASN A 126 13.314 -3.932 -10.441 1.00 0.00 H new ATOM 0 HD22 ASN A 126 12.447 -3.601 -11.945 1.00 0.00 H new ATOM 1881 N VAL A 127 6.878 -2.690 -10.986 1.00 0.00 N ATOM 1882 CA VAL A 127 5.683 -2.181 -11.724 1.00 0.00 C ATOM 1883 C VAL A 127 5.192 -0.941 -10.985 1.00 0.00 C ATOM 1884 O VAL A 127 5.034 -0.960 -9.780 1.00 0.00 O ATOM 1885 CB VAL A 127 4.587 -3.254 -11.735 1.00 0.00 C ATOM 1886 CG1 VAL A 127 3.239 -2.618 -12.094 1.00 0.00 C ATOM 1887 CG2 VAL A 127 4.935 -4.324 -12.773 1.00 0.00 C ATOM 0 H VAL A 127 6.832 -3.665 -10.689 1.00 0.00 H new ATOM 0 HA VAL A 127 5.935 -1.940 -12.757 1.00 0.00 H new ATOM 0 HB VAL A 127 4.519 -3.708 -10.746 1.00 0.00 H new ATOM 0 HG11 VAL A 127 2.465 -3.385 -12.100 1.00 0.00 H new ATOM 0 HG12 VAL A 127 2.988 -1.856 -11.356 1.00 0.00 H new ATOM 0 HG13 VAL A 127 3.304 -2.160 -13.081 1.00 0.00 H new ATOM 0 HG21 VAL A 127 4.158 -5.088 -12.783 1.00 0.00 H new ATOM 0 HG22 VAL A 127 5.005 -3.865 -13.759 1.00 0.00 H new ATOM 0 HG23 VAL A 127 5.890 -4.782 -12.517 1.00 0.00 H new ATOM 1897 N ARG A 128 4.985 0.157 -11.666 1.00 0.00 N ATOM 1898 CA ARG A 128 4.560 1.368 -10.936 1.00 0.00 C ATOM 1899 C ARG A 128 3.059 1.412 -10.814 1.00 0.00 C ATOM 1900 O ARG A 128 2.363 0.918 -11.679 1.00 0.00 O ATOM 1901 CB ARG A 128 5.044 2.586 -11.724 1.00 0.00 C ATOM 1902 CG ARG A 128 6.458 2.324 -12.250 1.00 0.00 C ATOM 1903 CD ARG A 128 7.090 3.643 -12.701 1.00 0.00 C ATOM 1904 NE ARG A 128 8.257 3.359 -13.585 1.00 0.00 N ATOM 1905 CZ ARG A 128 8.080 3.182 -14.865 1.00 0.00 C ATOM 1906 NH1 ARG A 128 7.575 2.061 -15.306 1.00 0.00 N ATOM 1907 NH2 ARG A 128 8.408 4.123 -15.707 1.00 0.00 N ATOM 0 H ARG A 128 5.091 0.259 -12.675 1.00 0.00 H new ATOM 0 HA ARG A 128 4.984 1.362 -9.932 1.00 0.00 H new ATOM 0 HB2 ARG A 128 4.367 2.788 -12.554 1.00 0.00 H new ATOM 0 HB3 ARG A 128 5.039 3.470 -11.087 1.00 0.00 H new ATOM 0 HG2 ARG A 128 7.067 1.864 -11.472 1.00 0.00 H new ATOM 0 HG3 ARG A 128 6.423 1.622 -13.083 1.00 0.00 H new ATOM 0 HD2 ARG A 128 6.355 4.247 -13.234 1.00 0.00 H new ATOM 0 HD3 ARG A 128 7.409 4.221 -11.834 1.00 0.00 H new ATOM 0 HE ARG A 128 9.195 3.303 -13.188 1.00 0.00 H new ATOM 0 HH11 ARG A 128 7.319 1.324 -14.649 1.00 0.00 H new ATOM 0 HH12 ARG A 128 7.437 1.923 -16.307 1.00 0.00 H new ATOM 0 HH21 ARG A 128 8.803 4.999 -15.365 1.00 0.00 H new ATOM 0 HH22 ARG A 128 8.269 3.983 -16.708 1.00 0.00 H new ATOM 1921 N LEU A 129 2.516 1.984 -9.758 1.00 0.00 N ATOM 1922 CA LEU A 129 1.010 1.975 -9.706 1.00 0.00 C ATOM 1923 C LEU A 129 0.516 3.235 -9.054 1.00 0.00 C ATOM 1924 O LEU A 129 1.243 3.830 -8.282 1.00 0.00 O ATOM 1925 CB LEU A 129 0.553 0.784 -8.850 1.00 0.00 C ATOM 1926 CG LEU A 129 0.498 -0.505 -9.686 1.00 0.00 C ATOM 1927 CD1 LEU A 129 1.409 -1.568 -9.061 1.00 0.00 C ATOM 1928 CD2 LEU A 129 -0.935 -1.028 -9.705 1.00 0.00 C ATOM 0 H LEU A 129 3.006 2.427 -8.981 1.00 0.00 H new ATOM 0 HA LEU A 129 0.615 1.901 -10.719 1.00 0.00 H new ATOM 0 HB2 LEU A 129 1.237 0.650 -8.012 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.431 0.991 -8.428 1.00 0.00 H new ATOM 0 HG LEU A 129 0.832 -0.291 -10.701 1.00 0.00 H new ATOM 0 HD11 LEU A 129 1.367 -2.480 -9.657 1.00 0.00 H new ATOM 0 HD12 LEU A 129 2.434 -1.199 -9.035 1.00 0.00 H new ATOM 0 HD13 LEU A 129 1.075 -1.782 -8.046 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -0.981 -1.942 -10.297 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -1.259 -1.239 -8.686 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -1.591 -0.277 -10.146 1.00 0.00 H new ATOM 1940 N PRO A 130 -0.703 3.641 -9.258 1.00 0.00 N ATOM 1941 CA PRO A 130 -1.178 4.826 -8.524 1.00 0.00 C ATOM 1942 C PRO A 130 -0.987 4.517 -7.039 1.00 0.00 C ATOM 1943 O PRO A 130 -1.230 3.402 -6.625 1.00 0.00 O ATOM 1944 CB PRO A 130 -2.657 4.904 -8.919 1.00 0.00 C ATOM 1945 CG PRO A 130 -2.965 3.743 -9.884 1.00 0.00 C ATOM 1946 CD PRO A 130 -1.659 2.988 -10.183 1.00 0.00 C ATOM 0 HA PRO A 130 -0.669 5.766 -8.736 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -3.290 4.839 -8.034 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -2.872 5.860 -9.396 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -3.698 3.069 -9.441 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -3.400 4.125 -10.807 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -1.752 1.920 -9.986 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -1.356 3.095 -11.225 1.00 0.00 H new ATOM 1954 N TYR A 131 -0.498 5.421 -6.235 1.00 0.00 N ATOM 1955 CA TYR A 131 -0.262 5.030 -4.810 1.00 0.00 C ATOM 1956 C TYR A 131 -0.701 6.101 -3.823 1.00 0.00 C ATOM 1957 O TYR A 131 -1.064 7.202 -4.188 1.00 0.00 O ATOM 1958 CB TYR A 131 1.236 4.791 -4.622 1.00 0.00 C ATOM 1959 CG TYR A 131 1.978 6.093 -4.817 1.00 0.00 C ATOM 1960 CD1 TYR A 131 2.150 6.609 -6.106 1.00 0.00 C ATOM 1961 CD2 TYR A 131 2.489 6.783 -3.711 1.00 0.00 C ATOM 1962 CE1 TYR A 131 2.835 7.816 -6.291 1.00 0.00 C ATOM 1963 CE2 TYR A 131 3.174 7.990 -3.897 1.00 0.00 C ATOM 1964 CZ TYR A 131 3.348 8.506 -5.187 1.00 0.00 C ATOM 1965 OH TYR A 131 4.022 9.695 -5.369 1.00 0.00 O ATOM 0 H TYR A 131 -0.258 6.380 -6.486 1.00 0.00 H new ATOM 0 HA TYR A 131 -0.852 4.136 -4.610 1.00 0.00 H new ATOM 0 HB2 TYR A 131 1.430 4.394 -3.626 1.00 0.00 H new ATOM 0 HB3 TYR A 131 1.590 4.047 -5.336 1.00 0.00 H new ATOM 0 HD1 TYR A 131 1.754 6.076 -6.958 1.00 0.00 H new ATOM 0 HD2 TYR A 131 2.355 6.385 -2.716 1.00 0.00 H new ATOM 0 HE1 TYR A 131 2.967 8.215 -7.286 1.00 0.00 H new ATOM 0 HE2 TYR A 131 3.568 8.523 -3.045 1.00 0.00 H new ATOM 0 HH TYR A 131 4.311 10.044 -4.500 1.00 0.00 H new ATOM 1975 N VAL A 132 -0.634 5.773 -2.554 1.00 0.00 N ATOM 1976 CA VAL A 132 -1.008 6.752 -1.498 1.00 0.00 C ATOM 1977 C VAL A 132 0.247 7.041 -0.677 1.00 0.00 C ATOM 1978 O VAL A 132 1.185 6.270 -0.687 1.00 0.00 O ATOM 1979 CB VAL A 132 -2.094 6.151 -0.602 1.00 0.00 C ATOM 1980 CG1 VAL A 132 -2.465 7.146 0.500 1.00 0.00 C ATOM 1981 CG2 VAL A 132 -3.337 5.841 -1.443 1.00 0.00 C ATOM 0 H VAL A 132 -0.334 4.862 -2.208 1.00 0.00 H new ATOM 0 HA VAL A 132 -1.396 7.671 -1.938 1.00 0.00 H new ATOM 0 HB VAL A 132 -1.718 5.233 -0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -3.238 6.714 1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -1.584 7.368 1.102 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -2.838 8.066 0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -4.110 5.413 -0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -3.708 6.760 -1.896 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -3.078 5.129 -2.227 1.00 0.00 H new ATOM 1991 N CYS A 133 0.295 8.141 0.018 1.00 0.00 N ATOM 1992 CA CYS A 133 1.521 8.450 0.810 1.00 0.00 C ATOM 1993 C CYS A 133 1.150 9.142 2.121 1.00 0.00 C ATOM 1994 O CYS A 133 0.391 10.091 2.135 1.00 0.00 O ATOM 1995 CB CYS A 133 2.420 9.373 -0.020 1.00 0.00 C ATOM 1996 SG CYS A 133 3.770 9.998 1.005 1.00 0.00 S ATOM 0 H CYS A 133 -0.451 8.834 0.074 1.00 0.00 H new ATOM 0 HA CYS A 133 2.044 7.523 1.045 1.00 0.00 H new ATOM 0 HB2 CYS A 133 2.822 8.831 -0.876 1.00 0.00 H new ATOM 0 HB3 CYS A 133 1.837 10.205 -0.415 1.00 0.00 H new ATOM 2001 N LYS A 134 1.689 8.683 3.226 1.00 0.00 N ATOM 2002 CA LYS A 134 1.374 9.323 4.538 1.00 0.00 C ATOM 2003 C LYS A 134 2.537 10.239 4.930 1.00 0.00 C ATOM 2004 O LYS A 134 3.651 10.050 4.489 1.00 0.00 O ATOM 2005 CB LYS A 134 1.172 8.236 5.603 1.00 0.00 C ATOM 2006 CG LYS A 134 2.499 7.922 6.305 1.00 0.00 C ATOM 2007 CD LYS A 134 2.370 6.611 7.088 1.00 0.00 C ATOM 2008 CE LYS A 134 3.398 6.585 8.220 1.00 0.00 C ATOM 2009 NZ LYS A 134 3.130 7.710 9.160 1.00 0.00 N ATOM 0 H LYS A 134 2.333 7.893 3.273 1.00 0.00 H new ATOM 0 HA LYS A 134 0.459 9.910 4.460 1.00 0.00 H new ATOM 0 HB2 LYS A 134 0.436 8.568 6.335 1.00 0.00 H new ATOM 0 HB3 LYS A 134 0.776 7.333 5.139 1.00 0.00 H new ATOM 0 HG2 LYS A 134 3.300 7.841 5.570 1.00 0.00 H new ATOM 0 HG3 LYS A 134 2.766 8.735 6.980 1.00 0.00 H new ATOM 0 HD2 LYS A 134 1.363 6.517 7.495 1.00 0.00 H new ATOM 0 HD3 LYS A 134 2.525 5.762 6.423 1.00 0.00 H new ATOM 0 HE2 LYS A 134 3.347 5.634 8.750 1.00 0.00 H new ATOM 0 HE3 LYS A 134 4.406 6.669 7.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 3.351 7.411 10.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 3.724 8.525 8.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 2.127 7.980 9.101 1.00 0.00 H new ATOM 2023 N PHE A 135 2.289 11.233 5.746 1.00 0.00 N ATOM 2024 CA PHE A 135 3.398 12.157 6.144 1.00 0.00 C ATOM 2025 C PHE A 135 2.873 13.214 7.117 1.00 0.00 C ATOM 2026 O PHE A 135 1.945 13.936 6.818 1.00 0.00 O ATOM 2027 CB PHE A 135 3.952 12.860 4.900 1.00 0.00 C ATOM 2028 CG PHE A 135 2.818 13.486 4.119 1.00 0.00 C ATOM 2029 CD1 PHE A 135 2.397 14.788 4.417 1.00 0.00 C ATOM 2030 CD2 PHE A 135 2.189 12.765 3.096 1.00 0.00 C ATOM 2031 CE1 PHE A 135 1.348 15.369 3.695 1.00 0.00 C ATOM 2032 CE2 PHE A 135 1.139 13.347 2.373 1.00 0.00 C ATOM 2033 CZ PHE A 135 0.719 14.648 2.673 1.00 0.00 C ATOM 0 H PHE A 135 1.377 11.444 6.151 1.00 0.00 H new ATOM 0 HA PHE A 135 4.185 11.577 6.625 1.00 0.00 H new ATOM 0 HB2 PHE A 135 4.670 13.626 5.193 1.00 0.00 H new ATOM 0 HB3 PHE A 135 4.486 12.145 4.274 1.00 0.00 H new ATOM 0 HD1 PHE A 135 2.882 15.345 5.205 1.00 0.00 H new ATOM 0 HD2 PHE A 135 2.513 11.761 2.865 1.00 0.00 H new ATOM 0 HE1 PHE A 135 1.024 16.373 3.926 1.00 0.00 H new ATOM 0 HE2 PHE A 135 0.654 12.791 1.584 1.00 0.00 H new ATOM 0 HZ PHE A 135 -0.091 15.096 2.116 1.00 0.00 H new