USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 967 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 66 MET CE :methyl -169:sc= -3.77 (180deg=-3.9) USER MOD Set 1.2: A 82 LYS NZ :NH3+ -179:sc= -2.79 (180deg=-2.83) USER MOD Set 2.1: A 21 GLN : amide:sc= -0.629 K(o=-3.1,f=-3.6) USER MOD Set 2.2: A 79 GLN : amide:sc= -2.5 X(o=-3.1,f=-3.5!) USER MOD Set 3.1: A 12 CYS SG : rot -41:sc= -1.31! USER MOD Set 3.2: A 15 GLN : amide:sc= -0.7 K(o=-2,f=-3.7!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0.00454 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 25 ASN : amide:sc= -0.881 K(o=-0.88,f=-1.8) USER MOD Single : A 32 TYR OH : rot 90:sc= -3.37! USER MOD Single : A 33 GLN : amide:sc= -0.0923 X(o=-0.092,f=-0.049) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -46:sc= 0.275 USER MOD Single : A 58 ASN : amide:sc= -6.69! C(o=-6.7!,f=-8.3!) USER MOD Single : A 59 THR OG1 : rot -76:sc= 1 USER MOD Single : A 61 TYR OH : rot 165:sc= -4.09! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 150:sc= -0.0159 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -153:sc= -1.73! USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.0287 K(o=-0.029,f=-1.2) USER MOD Single : A 112 LYS NZ :NH3+ -117:sc= -1.56! (180deg=-3.03!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 HIS : no HD1:sc= -2.84 X(o=-2.8,f=-3.2!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 ASN : amide:sc= -5.31! C(o=-5.3!,f=-1.1!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 124 N ARG A 8 117.195 -1.438 -8.744 1.00 0.00 N ATOM 125 CA ARG A 8 118.528 -1.771 -8.254 1.00 0.00 C ATOM 126 C ARG A 8 118.740 -1.236 -6.841 1.00 0.00 C ATOM 127 O ARG A 8 117.849 -0.600 -6.273 1.00 0.00 O ATOM 128 CB ARG A 8 119.595 -1.205 -9.192 1.00 0.00 C ATOM 129 CG ARG A 8 119.535 0.308 -9.338 1.00 0.00 C ATOM 130 CD ARG A 8 119.075 0.715 -10.729 1.00 0.00 C ATOM 131 NE ARG A 8 119.283 2.138 -10.979 1.00 0.00 N ATOM 132 CZ ARG A 8 120.419 2.645 -11.447 1.00 0.00 C ATOM 133 NH1 ARG A 8 121.442 1.847 -11.715 1.00 0.00 N ATOM 134 NH2 ARG A 8 120.531 3.951 -11.649 1.00 0.00 N ATOM 0 HA ARG A 8 118.616 -2.857 -8.228 1.00 0.00 H new ATOM 0 HB2 ARG A 8 120.580 -1.487 -8.821 1.00 0.00 H new ATOM 0 HB3 ARG A 8 119.482 -1.662 -10.175 1.00 0.00 H new ATOM 0 HG2 ARG A 8 118.854 0.720 -8.593 1.00 0.00 H new ATOM 0 HG3 ARG A 8 120.519 0.733 -9.140 1.00 0.00 H new ATOM 0 HD2 ARG A 8 119.616 0.133 -11.475 1.00 0.00 H new ATOM 0 HD3 ARG A 8 118.018 0.477 -10.845 1.00 0.00 H new ATOM 0 HE ARG A 8 118.514 2.779 -10.784 1.00 0.00 H new ATOM 0 HH11 ARG A 8 121.358 0.842 -11.562 1.00 0.00 H new ATOM 0 HH12 ARG A 8 122.313 2.238 -12.074 1.00 0.00 H new ATOM 0 HH21 ARG A 8 119.745 4.568 -11.445 1.00 0.00 H new ATOM 0 HH22 ARG A 8 121.403 4.339 -12.008 1.00 0.00 H new ATOM 148 N ALA A 9 119.928 -1.503 -6.291 1.00 0.00 N ATOM 149 CA ALA A 9 120.293 -1.063 -4.943 1.00 0.00 C ATOM 150 C ALA A 9 119.062 -0.801 -4.083 1.00 0.00 C ATOM 151 O ALA A 9 118.608 -1.680 -3.351 1.00 0.00 O ATOM 152 CB ALA A 9 121.170 0.182 -5.010 1.00 0.00 C ATOM 0 H ALA A 9 120.661 -2.029 -6.767 1.00 0.00 H new ATOM 0 HA ALA A 9 120.857 -1.869 -4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 9 121.433 0.497 -4.000 1.00 0.00 H new ATOM 0 HB2 ALA A 9 122.079 -0.043 -5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 9 120.626 0.984 -5.510 1.00 0.00 H new ATOM 158 N ARG A 10 118.528 0.410 -4.184 1.00 0.00 N ATOM 159 CA ARG A 10 117.350 0.799 -3.418 1.00 0.00 C ATOM 160 C ARG A 10 116.410 -0.382 -3.230 1.00 0.00 C ATOM 161 O ARG A 10 116.335 -0.965 -2.147 1.00 0.00 O ATOM 162 CB ARG A 10 116.614 1.942 -4.121 1.00 0.00 C ATOM 163 CG ARG A 10 117.459 3.193 -4.300 1.00 0.00 C ATOM 164 CD ARG A 10 116.637 4.345 -4.854 1.00 0.00 C ATOM 165 NE ARG A 10 116.756 4.454 -6.305 1.00 0.00 N ATOM 166 CZ ARG A 10 116.562 5.584 -6.976 1.00 0.00 C ATOM 167 NH1 ARG A 10 116.241 6.695 -6.328 1.00 0.00 N ATOM 168 NH2 ARG A 10 116.689 5.603 -8.296 1.00 0.00 N ATOM 0 H ARG A 10 118.894 1.143 -4.792 1.00 0.00 H new ATOM 0 HA ARG A 10 117.682 1.137 -2.436 1.00 0.00 H new ATOM 0 HB2 ARG A 10 116.277 1.598 -5.099 1.00 0.00 H new ATOM 0 HB3 ARG A 10 115.722 2.195 -3.548 1.00 0.00 H new ATOM 0 HG2 ARG A 10 117.892 3.481 -3.342 1.00 0.00 H new ATOM 0 HG3 ARG A 10 118.289 2.980 -4.974 1.00 0.00 H new ATOM 0 HD2 ARG A 10 115.590 4.205 -4.586 1.00 0.00 H new ATOM 0 HD3 ARG A 10 116.962 5.277 -4.393 1.00 0.00 H new ATOM 0 HE ARG A 10 117.002 3.616 -6.833 1.00 0.00 H new ATOM 0 HH11 ARG A 10 116.143 6.683 -5.313 1.00 0.00 H new ATOM 0 HH12 ARG A 10 116.092 7.562 -6.845 1.00 0.00 H new ATOM 0 HH21 ARG A 10 116.936 4.749 -8.797 1.00 0.00 H new ATOM 0 HH22 ARG A 10 116.540 6.471 -8.810 1.00 0.00 H new ATOM 182 N GLU A 11 115.699 -0.737 -4.292 1.00 0.00 N ATOM 183 CA GLU A 11 114.767 -1.853 -4.242 1.00 0.00 C ATOM 184 C GLU A 11 115.509 -3.151 -3.951 1.00 0.00 C ATOM 185 O GLU A 11 114.986 -4.043 -3.285 1.00 0.00 O ATOM 186 CB GLU A 11 114.007 -1.969 -5.563 1.00 0.00 C ATOM 187 CG GLU A 11 113.761 -0.631 -6.242 1.00 0.00 C ATOM 188 CD GLU A 11 112.738 -0.722 -7.357 1.00 0.00 C ATOM 189 OE1 GLU A 11 112.585 -1.819 -7.935 1.00 0.00 O ATOM 190 OE2 GLU A 11 112.089 0.303 -7.652 1.00 0.00 O ATOM 0 H GLU A 11 115.750 -0.269 -5.197 1.00 0.00 H new ATOM 0 HA GLU A 11 114.052 -1.670 -3.440 1.00 0.00 H new ATOM 0 HB2 GLU A 11 114.568 -2.613 -6.240 1.00 0.00 H new ATOM 0 HB3 GLU A 11 113.049 -2.456 -5.380 1.00 0.00 H new ATOM 0 HG2 GLU A 11 113.421 0.092 -5.500 1.00 0.00 H new ATOM 0 HG3 GLU A 11 114.701 -0.255 -6.646 1.00 0.00 H new ATOM 197 N CYS A 12 116.734 -3.245 -4.452 1.00 0.00 N ATOM 198 CA CYS A 12 117.555 -4.429 -4.248 1.00 0.00 C ATOM 199 C CYS A 12 117.798 -4.672 -2.765 1.00 0.00 C ATOM 200 O CYS A 12 117.862 -5.816 -2.311 1.00 0.00 O ATOM 201 CB CYS A 12 118.890 -4.270 -4.977 1.00 0.00 C ATOM 202 SG CYS A 12 119.615 -5.828 -5.536 1.00 0.00 S ATOM 0 H CYS A 12 117.181 -2.513 -5.004 1.00 0.00 H new ATOM 0 HA CYS A 12 117.023 -5.290 -4.654 1.00 0.00 H new ATOM 0 HB2 CYS A 12 118.746 -3.619 -5.839 1.00 0.00 H new ATOM 0 HB3 CYS A 12 119.596 -3.770 -4.314 1.00 0.00 H new ATOM 0 HG CYS A 12 119.465 -6.732 -4.614 1.00 0.00 H new ATOM 208 N ALA A 13 117.934 -3.587 -2.013 1.00 0.00 N ATOM 209 CA ALA A 13 118.181 -3.676 -0.584 1.00 0.00 C ATOM 210 C ALA A 13 117.034 -4.376 0.138 1.00 0.00 C ATOM 211 O ALA A 13 117.259 -5.122 1.094 1.00 0.00 O ATOM 212 CB ALA A 13 118.408 -2.284 -0.008 1.00 0.00 C ATOM 0 H ALA A 13 117.877 -2.634 -2.372 1.00 0.00 H new ATOM 0 HA ALA A 13 119.078 -4.275 -0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 13 118.592 -2.359 1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 13 119.270 -1.826 -0.493 1.00 0.00 H new ATOM 0 HB3 ALA A 13 117.524 -1.670 -0.182 1.00 0.00 H new ATOM 218 N VAL A 14 115.807 -4.145 -0.320 1.00 0.00 N ATOM 219 CA VAL A 14 114.642 -4.763 0.304 1.00 0.00 C ATOM 220 C VAL A 14 114.748 -6.283 0.290 1.00 0.00 C ATOM 221 O VAL A 14 114.327 -6.950 1.235 1.00 0.00 O ATOM 222 CB VAL A 14 113.329 -4.341 -0.384 1.00 0.00 C ATOM 223 CG1 VAL A 14 113.258 -2.828 -0.519 1.00 0.00 C ATOM 224 CG2 VAL A 14 113.181 -5.010 -1.742 1.00 0.00 C ATOM 0 H VAL A 14 115.595 -3.540 -1.113 1.00 0.00 H new ATOM 0 HA VAL A 14 114.623 -4.412 1.336 1.00 0.00 H new ATOM 0 HB VAL A 14 112.500 -4.670 0.243 1.00 0.00 H new ATOM 0 HG11 VAL A 14 112.324 -2.550 -1.007 1.00 0.00 H new ATOM 0 HG12 VAL A 14 113.301 -2.372 0.470 1.00 0.00 H new ATOM 0 HG13 VAL A 14 114.099 -2.476 -1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 14 112.246 -4.693 -2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 14 114.016 -4.724 -2.381 1.00 0.00 H new ATOM 0 HG23 VAL A 14 113.175 -6.093 -1.616 1.00 0.00 H new ATOM 234 N GLN A 15 115.334 -6.826 -0.769 1.00 0.00 N ATOM 235 CA GLN A 15 115.508 -8.264 -0.887 1.00 0.00 C ATOM 236 C GLN A 15 116.331 -8.767 0.281 1.00 0.00 C ATOM 237 O GLN A 15 115.989 -9.761 0.923 1.00 0.00 O ATOM 238 CB GLN A 15 116.193 -8.617 -2.209 1.00 0.00 C ATOM 239 CG GLN A 15 115.270 -8.536 -3.413 1.00 0.00 C ATOM 240 CD GLN A 15 115.998 -8.769 -4.722 1.00 0.00 C ATOM 241 OE1 GLN A 15 116.621 -7.860 -5.271 1.00 0.00 O ATOM 242 NE2 GLN A 15 115.923 -9.993 -5.231 1.00 0.00 N ATOM 0 H GLN A 15 115.696 -6.290 -1.558 1.00 0.00 H new ATOM 0 HA GLN A 15 114.529 -8.743 -0.874 1.00 0.00 H new ATOM 0 HB2 GLN A 15 117.037 -7.944 -2.362 1.00 0.00 H new ATOM 0 HB3 GLN A 15 116.599 -9.626 -2.140 1.00 0.00 H new ATOM 0 HG2 GLN A 15 114.475 -9.274 -3.307 1.00 0.00 H new ATOM 0 HG3 GLN A 15 114.794 -7.556 -3.436 1.00 0.00 H new ATOM 0 HE21 GLN A 15 115.396 -10.717 -4.743 1.00 0.00 H new ATOM 0 HE22 GLN A 15 116.393 -10.209 -6.110 1.00 0.00 H new ATOM 251 N ALA A 16 117.406 -8.048 0.571 1.00 0.00 N ATOM 252 CA ALA A 16 118.268 -8.394 1.682 1.00 0.00 C ATOM 253 C ALA A 16 117.548 -8.101 2.985 1.00 0.00 C ATOM 254 O ALA A 16 117.757 -8.781 3.990 1.00 0.00 O ATOM 255 CB ALA A 16 119.568 -7.626 1.586 1.00 0.00 C ATOM 0 H ALA A 16 117.699 -7.222 0.049 1.00 0.00 H new ATOM 0 HA ALA A 16 118.506 -9.457 1.650 1.00 0.00 H new ATOM 0 HB1 ALA A 16 120.211 -7.892 2.425 1.00 0.00 H new ATOM 0 HB2 ALA A 16 120.070 -7.876 0.651 1.00 0.00 H new ATOM 0 HB3 ALA A 16 119.361 -6.556 1.612 1.00 0.00 H new ATOM 261 N LEU A 17 116.661 -7.106 2.950 1.00 0.00 N ATOM 262 CA LEU A 17 115.878 -6.761 4.120 1.00 0.00 C ATOM 263 C LEU A 17 115.044 -7.966 4.508 1.00 0.00 C ATOM 264 O LEU A 17 114.793 -8.215 5.687 1.00 0.00 O ATOM 265 CB LEU A 17 114.977 -5.559 3.835 1.00 0.00 C ATOM 266 CG LEU A 17 114.982 -4.478 4.915 1.00 0.00 C ATOM 267 CD1 LEU A 17 114.441 -3.169 4.362 1.00 0.00 C ATOM 268 CD2 LEU A 17 114.171 -4.926 6.121 1.00 0.00 C ATOM 0 H LEU A 17 116.473 -6.533 2.127 1.00 0.00 H new ATOM 0 HA LEU A 17 116.543 -6.487 4.939 1.00 0.00 H new ATOM 0 HB2 LEU A 17 115.284 -5.109 2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 17 113.955 -5.914 3.702 1.00 0.00 H new ATOM 0 HG LEU A 17 116.011 -4.315 5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 17 114.452 -2.411 5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 17 115.064 -2.840 3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 17 113.419 -3.316 4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 17 114.186 -4.144 6.880 1.00 0.00 H new ATOM 0 HD22 LEU A 17 113.142 -5.117 5.817 1.00 0.00 H new ATOM 0 HD23 LEU A 17 114.603 -5.838 6.532 1.00 0.00 H new ATOM 280 N TYR A 18 114.641 -8.730 3.494 1.00 0.00 N ATOM 281 CA TYR A 18 113.859 -9.937 3.722 1.00 0.00 C ATOM 282 C TYR A 18 114.706 -10.965 4.465 1.00 0.00 C ATOM 283 O TYR A 18 114.225 -11.656 5.364 1.00 0.00 O ATOM 284 CB TYR A 18 113.375 -10.516 2.391 1.00 0.00 C ATOM 285 CG TYR A 18 112.582 -11.795 2.538 1.00 0.00 C ATOM 286 CD1 TYR A 18 111.575 -11.906 3.490 1.00 0.00 C ATOM 287 CD2 TYR A 18 112.839 -12.891 1.724 1.00 0.00 C ATOM 288 CE1 TYR A 18 110.849 -13.074 3.625 1.00 0.00 C ATOM 289 CE2 TYR A 18 112.116 -14.061 1.854 1.00 0.00 C ATOM 290 CZ TYR A 18 111.123 -14.149 2.806 1.00 0.00 C ATOM 291 OH TYR A 18 110.402 -15.312 2.939 1.00 0.00 O ATOM 0 H TYR A 18 114.843 -8.534 2.514 1.00 0.00 H new ATOM 0 HA TYR A 18 112.988 -9.686 4.327 1.00 0.00 H new ATOM 0 HB2 TYR A 18 112.759 -9.773 1.884 1.00 0.00 H new ATOM 0 HB3 TYR A 18 114.237 -10.705 1.752 1.00 0.00 H new ATOM 0 HD1 TYR A 18 111.357 -11.067 4.134 1.00 0.00 H new ATOM 0 HD2 TYR A 18 113.617 -12.827 0.977 1.00 0.00 H new ATOM 0 HE1 TYR A 18 110.070 -13.145 4.369 1.00 0.00 H new ATOM 0 HE2 TYR A 18 112.328 -14.903 1.212 1.00 0.00 H new ATOM 0 HH TYR A 18 110.719 -15.970 2.286 1.00 0.00 H new ATOM 301 N SER A 19 115.978 -11.044 4.084 1.00 0.00 N ATOM 302 CA SER A 19 116.921 -11.966 4.708 1.00 0.00 C ATOM 303 C SER A 19 117.216 -11.544 6.144 1.00 0.00 C ATOM 304 O SER A 19 117.485 -12.379 7.007 1.00 0.00 O ATOM 305 CB SER A 19 118.220 -12.024 3.903 1.00 0.00 C ATOM 306 OG SER A 19 117.958 -12.008 2.510 1.00 0.00 O ATOM 0 H SER A 19 116.381 -10.475 3.340 1.00 0.00 H new ATOM 0 HA SER A 19 116.469 -12.958 4.723 1.00 0.00 H new ATOM 0 HB2 SER A 19 118.853 -11.177 4.167 1.00 0.00 H new ATOM 0 HB3 SER A 19 118.772 -12.927 4.162 1.00 0.00 H new ATOM 0 HG SER A 19 118.804 -12.044 2.017 1.00 0.00 H new ATOM 312 N TRP A 20 117.172 -10.238 6.387 1.00 0.00 N ATOM 313 CA TRP A 20 117.440 -9.688 7.711 1.00 0.00 C ATOM 314 C TRP A 20 116.455 -10.237 8.734 1.00 0.00 C ATOM 315 O TRP A 20 116.845 -10.693 9.808 1.00 0.00 O ATOM 316 CB TRP A 20 117.332 -8.164 7.669 1.00 0.00 C ATOM 317 CG TRP A 20 117.996 -7.477 8.823 1.00 0.00 C ATOM 318 CD1 TRP A 20 119.150 -7.848 9.449 1.00 0.00 C ATOM 319 CD2 TRP A 20 117.539 -6.294 9.491 1.00 0.00 C ATOM 320 NE1 TRP A 20 119.441 -6.969 10.465 1.00 0.00 N ATOM 321 CE2 TRP A 20 118.466 -6.004 10.509 1.00 0.00 C ATOM 322 CE3 TRP A 20 116.436 -5.451 9.323 1.00 0.00 C ATOM 323 CZ2 TRP A 20 118.323 -4.906 11.358 1.00 0.00 C ATOM 324 CZ3 TRP A 20 116.295 -4.364 10.164 1.00 0.00 C ATOM 325 CH2 TRP A 20 117.234 -4.099 11.170 1.00 0.00 C ATOM 0 H TRP A 20 116.952 -9.537 5.679 1.00 0.00 H new ATOM 0 HA TRP A 20 118.448 -9.978 8.006 1.00 0.00 H new ATOM 0 HB2 TRP A 20 117.775 -7.804 6.740 1.00 0.00 H new ATOM 0 HB3 TRP A 20 116.279 -7.884 7.649 1.00 0.00 H new ATOM 0 HD1 TRP A 20 119.748 -8.708 9.185 1.00 0.00 H new ATOM 0 HE1 TRP A 20 120.249 -7.025 11.085 1.00 0.00 H new ATOM 0 HE3 TRP A 20 115.708 -5.646 8.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 119.045 -4.701 12.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 115.446 -3.707 10.044 1.00 0.00 H new ATOM 0 HH2 TRP A 20 117.095 -3.240 11.810 1.00 0.00 H new ATOM 336 N GLN A 21 115.176 -10.184 8.392 1.00 0.00 N ATOM 337 CA GLN A 21 114.127 -10.673 9.278 1.00 0.00 C ATOM 338 C GLN A 21 114.370 -12.129 9.668 1.00 0.00 C ATOM 339 O GLN A 21 114.326 -12.481 10.847 1.00 0.00 O ATOM 340 CB GLN A 21 112.760 -10.536 8.604 1.00 0.00 C ATOM 341 CG GLN A 21 111.617 -10.328 9.583 1.00 0.00 C ATOM 342 CD GLN A 21 111.318 -11.569 10.403 1.00 0.00 C ATOM 343 OE1 GLN A 21 111.834 -11.737 11.507 1.00 0.00 O ATOM 344 NE2 GLN A 21 110.480 -12.447 9.862 1.00 0.00 N ATOM 0 H GLN A 21 114.838 -9.807 7.506 1.00 0.00 H new ATOM 0 HA GLN A 21 114.144 -10.068 10.185 1.00 0.00 H new ATOM 0 HB2 GLN A 21 112.789 -9.697 7.909 1.00 0.00 H new ATOM 0 HB3 GLN A 21 112.564 -11.431 8.014 1.00 0.00 H new ATOM 0 HG2 GLN A 21 111.863 -9.505 10.253 1.00 0.00 H new ATOM 0 HG3 GLN A 21 110.722 -10.035 9.034 1.00 0.00 H new ATOM 0 HE21 GLN A 21 110.075 -12.267 8.943 1.00 0.00 H new ATOM 0 HE22 GLN A 21 110.241 -13.301 10.365 1.00 0.00 H new ATOM 353 N LEU A 22 114.618 -12.973 8.670 1.00 0.00 N ATOM 354 CA LEU A 22 114.858 -14.394 8.911 1.00 0.00 C ATOM 355 C LEU A 22 116.280 -14.651 9.407 1.00 0.00 C ATOM 356 O LEU A 22 116.482 -15.353 10.398 1.00 0.00 O ATOM 357 CB LEU A 22 114.603 -15.194 7.633 1.00 0.00 C ATOM 358 CG LEU A 22 113.266 -14.910 6.946 1.00 0.00 C ATOM 359 CD1 LEU A 22 113.264 -15.467 5.531 1.00 0.00 C ATOM 360 CD2 LEU A 22 112.118 -15.497 7.753 1.00 0.00 C ATOM 0 H LEU A 22 114.658 -12.699 7.688 1.00 0.00 H new ATOM 0 HA LEU A 22 114.167 -14.718 9.690 1.00 0.00 H new ATOM 0 HB2 LEU A 22 115.408 -14.988 6.927 1.00 0.00 H new ATOM 0 HB3 LEU A 22 114.653 -16.256 7.872 1.00 0.00 H new ATOM 0 HG LEU A 22 113.130 -13.830 6.889 1.00 0.00 H new ATOM 0 HD11 LEU A 22 112.305 -15.255 5.058 1.00 0.00 H new ATOM 0 HD12 LEU A 22 114.063 -15.000 4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 22 113.422 -16.545 5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 22 111.174 -15.286 7.250 1.00 0.00 H new ATOM 0 HD22 LEU A 22 112.249 -16.576 7.841 1.00 0.00 H new ATOM 0 HD23 LEU A 22 112.107 -15.051 8.747 1.00 0.00 H new ATOM 372 N SER A 23 117.262 -14.089 8.708 1.00 0.00 N ATOM 373 CA SER A 23 118.663 -14.272 9.075 1.00 0.00 C ATOM 374 C SER A 23 119.005 -13.511 10.353 1.00 0.00 C ATOM 375 O SER A 23 119.609 -14.063 11.272 1.00 0.00 O ATOM 376 CB SER A 23 119.573 -13.809 7.936 1.00 0.00 C ATOM 377 OG SER A 23 120.922 -14.167 8.183 1.00 0.00 O ATOM 0 H SER A 23 117.114 -13.504 7.886 1.00 0.00 H new ATOM 0 HA SER A 23 118.824 -15.335 9.257 1.00 0.00 H new ATOM 0 HB2 SER A 23 119.241 -14.254 6.998 1.00 0.00 H new ATOM 0 HB3 SER A 23 119.496 -12.728 7.821 1.00 0.00 H new ATOM 0 HG SER A 23 121.483 -13.861 7.440 1.00 0.00 H new ATOM 383 N GLN A 24 118.614 -12.243 10.405 1.00 0.00 N ATOM 384 CA GLN A 24 118.878 -11.409 11.571 1.00 0.00 C ATOM 385 C GLN A 24 120.363 -11.068 11.682 1.00 0.00 C ATOM 386 O GLN A 24 120.830 -10.633 12.734 1.00 0.00 O ATOM 387 CB GLN A 24 118.409 -12.114 12.845 1.00 0.00 C ATOM 388 CG GLN A 24 117.336 -11.349 13.603 1.00 0.00 C ATOM 389 CD GLN A 24 116.568 -12.227 14.571 1.00 0.00 C ATOM 390 OE1 GLN A 24 116.954 -13.367 14.835 1.00 0.00 O ATOM 391 NE2 GLN A 24 115.473 -11.701 15.107 1.00 0.00 N ATOM 0 H GLN A 24 118.113 -11.770 9.653 1.00 0.00 H new ATOM 0 HA GLN A 24 118.322 -10.479 11.450 1.00 0.00 H new ATOM 0 HB2 GLN A 24 118.025 -13.100 12.584 1.00 0.00 H new ATOM 0 HB3 GLN A 24 119.265 -12.269 13.501 1.00 0.00 H new ATOM 0 HG2 GLN A 24 117.799 -10.528 14.151 1.00 0.00 H new ATOM 0 HG3 GLN A 24 116.640 -10.904 12.891 1.00 0.00 H new ATOM 0 HE21 GLN A 24 115.189 -10.753 14.860 1.00 0.00 H new ATOM 0 HE22 GLN A 24 114.915 -12.245 15.765 1.00 0.00 H new ATOM 400 N ASN A 25 121.099 -11.265 10.591 1.00 0.00 N ATOM 401 CA ASN A 25 122.529 -10.974 10.574 1.00 0.00 C ATOM 402 C ASN A 25 122.785 -9.518 10.950 1.00 0.00 C ATOM 403 O ASN A 25 121.997 -8.911 11.675 1.00 0.00 O ATOM 404 CB ASN A 25 123.115 -11.267 9.190 1.00 0.00 C ATOM 405 CG ASN A 25 124.549 -11.755 9.262 1.00 0.00 C ATOM 406 OD1 ASN A 25 124.913 -12.514 10.159 1.00 0.00 O ATOM 407 ND2 ASN A 25 125.371 -11.320 8.315 1.00 0.00 N ATOM 0 H ASN A 25 120.730 -11.624 9.710 1.00 0.00 H new ATOM 0 HA ASN A 25 123.017 -11.615 11.308 1.00 0.00 H new ATOM 0 HB2 ASN A 25 122.503 -12.018 8.691 1.00 0.00 H new ATOM 0 HB3 ASN A 25 123.071 -10.364 8.581 1.00 0.00 H new ATOM 0 HD21 ASN A 25 126.347 -11.615 8.312 1.00 0.00 H new ATOM 0 HD22 ASN A 25 125.026 -10.691 7.590 1.00 0.00 H new ATOM 414 N ASP A 26 123.886 -8.958 10.454 1.00 0.00 N ATOM 415 CA ASP A 26 124.228 -7.570 10.744 1.00 0.00 C ATOM 416 C ASP A 26 123.010 -6.671 10.540 1.00 0.00 C ATOM 417 O ASP A 26 122.133 -6.606 11.402 1.00 0.00 O ATOM 418 CB ASP A 26 125.391 -7.108 9.862 1.00 0.00 C ATOM 419 CG ASP A 26 126.666 -7.883 10.134 1.00 0.00 C ATOM 420 OD1 ASP A 26 126.803 -8.427 11.249 1.00 0.00 O ATOM 421 OD2 ASP A 26 127.527 -7.944 9.231 1.00 0.00 O ATOM 0 H ASP A 26 124.553 -9.442 9.853 1.00 0.00 H new ATOM 0 HA ASP A 26 124.540 -7.500 11.786 1.00 0.00 H new ATOM 0 HB2 ASP A 26 125.116 -7.223 8.813 1.00 0.00 H new ATOM 0 HB3 ASP A 26 125.571 -6.046 10.030 1.00 0.00 H new ATOM 426 N ILE A 27 122.944 -5.995 9.393 1.00 0.00 N ATOM 427 CA ILE A 27 121.814 -5.124 9.088 1.00 0.00 C ATOM 428 C ILE A 27 122.184 -4.045 8.077 1.00 0.00 C ATOM 429 O ILE A 27 121.713 -4.065 6.940 1.00 0.00 O ATOM 430 CB ILE A 27 121.248 -4.451 10.354 1.00 0.00 C ATOM 431 CG1 ILE A 27 120.402 -3.233 9.977 1.00 0.00 C ATOM 432 CG2 ILE A 27 122.373 -4.047 11.295 1.00 0.00 C ATOM 433 CD1 ILE A 27 119.444 -3.488 8.831 1.00 0.00 C ATOM 0 H ILE A 27 123.657 -6.035 8.664 1.00 0.00 H new ATOM 0 HA ILE A 27 121.049 -5.769 8.656 1.00 0.00 H new ATOM 0 HB ILE A 27 120.611 -5.169 10.870 1.00 0.00 H new ATOM 0 HG12 ILE A 27 119.833 -2.912 10.850 1.00 0.00 H new ATOM 0 HG13 ILE A 27 121.065 -2.410 9.709 1.00 0.00 H new ATOM 0 HG21 ILE A 27 121.953 -3.574 12.182 1.00 0.00 H new ATOM 0 HG22 ILE A 27 122.937 -4.932 11.589 1.00 0.00 H new ATOM 0 HG23 ILE A 27 123.036 -3.345 10.789 1.00 0.00 H new ATOM 0 HD11 ILE A 27 118.879 -2.580 8.620 1.00 0.00 H new ATOM 0 HD12 ILE A 27 120.007 -3.779 7.944 1.00 0.00 H new ATOM 0 HD13 ILE A 27 118.756 -4.289 9.103 1.00 0.00 H new ATOM 445 N ALA A 28 123.023 -3.103 8.484 1.00 0.00 N ATOM 446 CA ALA A 28 123.432 -2.036 7.587 1.00 0.00 C ATOM 447 C ALA A 28 124.175 -2.609 6.391 1.00 0.00 C ATOM 448 O ALA A 28 123.822 -2.352 5.240 1.00 0.00 O ATOM 449 CB ALA A 28 124.303 -1.029 8.323 1.00 0.00 C ATOM 0 H ALA A 28 123.429 -3.057 9.419 1.00 0.00 H new ATOM 0 HA ALA A 28 122.541 -1.522 7.227 1.00 0.00 H new ATOM 0 HB1 ALA A 28 124.601 -0.236 7.637 1.00 0.00 H new ATOM 0 HB2 ALA A 28 123.741 -0.599 9.152 1.00 0.00 H new ATOM 0 HB3 ALA A 28 125.192 -1.529 8.708 1.00 0.00 H new ATOM 455 N ASP A 29 125.202 -3.396 6.678 1.00 0.00 N ATOM 456 CA ASP A 29 126.004 -4.024 5.641 1.00 0.00 C ATOM 457 C ASP A 29 125.272 -5.191 4.977 1.00 0.00 C ATOM 458 O ASP A 29 125.419 -5.415 3.778 1.00 0.00 O ATOM 459 CB ASP A 29 127.330 -4.514 6.227 1.00 0.00 C ATOM 460 CG ASP A 29 128.443 -3.498 6.067 1.00 0.00 C ATOM 461 OD1 ASP A 29 128.356 -2.419 6.692 1.00 0.00 O ATOM 462 OD2 ASP A 29 129.401 -3.780 5.318 1.00 0.00 O ATOM 0 H ASP A 29 125.500 -3.615 7.629 1.00 0.00 H new ATOM 0 HA ASP A 29 126.193 -3.271 4.876 1.00 0.00 H new ATOM 0 HB2 ASP A 29 127.196 -4.738 7.285 1.00 0.00 H new ATOM 0 HB3 ASP A 29 127.618 -5.445 5.738 1.00 0.00 H new ATOM 467 N VAL A 30 124.518 -5.957 5.767 1.00 0.00 N ATOM 468 CA VAL A 30 123.815 -7.132 5.248 1.00 0.00 C ATOM 469 C VAL A 30 122.809 -6.807 4.150 1.00 0.00 C ATOM 470 O VAL A 30 122.832 -7.424 3.086 1.00 0.00 O ATOM 471 CB VAL A 30 123.064 -7.894 6.362 1.00 0.00 C ATOM 472 CG1 VAL A 30 121.843 -7.116 6.817 1.00 0.00 C ATOM 473 CG2 VAL A 30 122.661 -9.278 5.875 1.00 0.00 C ATOM 0 H VAL A 30 124.379 -5.787 6.763 1.00 0.00 H new ATOM 0 HA VAL A 30 124.606 -7.752 4.826 1.00 0.00 H new ATOM 0 HB VAL A 30 123.734 -8.005 7.214 1.00 0.00 H new ATOM 0 HG11 VAL A 30 121.329 -7.671 7.602 1.00 0.00 H new ATOM 0 HG12 VAL A 30 122.153 -6.145 7.203 1.00 0.00 H new ATOM 0 HG13 VAL A 30 121.168 -6.972 5.973 1.00 0.00 H new ATOM 0 HG21 VAL A 30 122.133 -9.804 6.670 1.00 0.00 H new ATOM 0 HG22 VAL A 30 122.009 -9.183 5.007 1.00 0.00 H new ATOM 0 HG23 VAL A 30 123.553 -9.840 5.598 1.00 0.00 H new ATOM 483 N GLU A 31 121.914 -5.862 4.404 1.00 0.00 N ATOM 484 CA GLU A 31 120.904 -5.522 3.437 1.00 0.00 C ATOM 485 C GLU A 31 121.525 -5.166 2.094 1.00 0.00 C ATOM 486 O GLU A 31 121.170 -5.723 1.057 1.00 0.00 O ATOM 487 CB GLU A 31 120.074 -4.354 3.965 1.00 0.00 C ATOM 488 CG GLU A 31 119.366 -3.586 2.874 1.00 0.00 C ATOM 489 CD GLU A 31 117.861 -3.569 3.051 1.00 0.00 C ATOM 490 OE1 GLU A 31 117.321 -4.539 3.622 1.00 0.00 O ATOM 491 OE2 GLU A 31 117.223 -2.586 2.619 1.00 0.00 O ATOM 0 H GLU A 31 121.874 -5.325 5.270 1.00 0.00 H new ATOM 0 HA GLU A 31 120.261 -6.388 3.283 1.00 0.00 H new ATOM 0 HB2 GLU A 31 119.336 -4.732 4.672 1.00 0.00 H new ATOM 0 HB3 GLU A 31 120.724 -3.674 4.516 1.00 0.00 H new ATOM 0 HG2 GLU A 31 119.737 -2.561 2.858 1.00 0.00 H new ATOM 0 HG3 GLU A 31 119.609 -4.028 1.908 1.00 0.00 H new ATOM 498 N TYR A 32 122.440 -4.223 2.122 1.00 0.00 N ATOM 499 CA TYR A 32 123.105 -3.765 0.918 1.00 0.00 C ATOM 500 C TYR A 32 124.072 -4.799 0.344 1.00 0.00 C ATOM 501 O TYR A 32 124.393 -4.749 -0.832 1.00 0.00 O ATOM 502 CB TYR A 32 123.781 -2.426 1.178 1.00 0.00 C ATOM 503 CG TYR A 32 122.769 -1.316 1.360 1.00 0.00 C ATOM 504 CD1 TYR A 32 122.305 -0.583 0.275 1.00 0.00 C ATOM 505 CD2 TYR A 32 122.255 -1.020 2.617 1.00 0.00 C ATOM 506 CE1 TYR A 32 121.362 0.414 0.439 1.00 0.00 C ATOM 507 CE2 TYR A 32 121.318 -0.020 2.785 1.00 0.00 C ATOM 508 CZ TYR A 32 120.874 0.691 1.695 1.00 0.00 C ATOM 509 OH TYR A 32 119.934 1.682 1.861 1.00 0.00 O ATOM 0 H TYR A 32 122.745 -3.753 2.974 1.00 0.00 H new ATOM 0 HA TYR A 32 122.345 -3.626 0.149 1.00 0.00 H new ATOM 0 HB2 TYR A 32 124.405 -2.500 2.069 1.00 0.00 H new ATOM 0 HB3 TYR A 32 124.442 -2.184 0.345 1.00 0.00 H new ATOM 0 HD1 TYR A 32 122.687 -0.796 -0.712 1.00 0.00 H new ATOM 0 HD2 TYR A 32 122.594 -1.581 3.476 1.00 0.00 H new ATOM 0 HE1 TYR A 32 121.010 0.973 -0.415 1.00 0.00 H new ATOM 0 HE2 TYR A 32 120.935 0.203 3.770 1.00 0.00 H new ATOM 0 HH TYR A 32 119.036 1.299 1.774 1.00 0.00 H new ATOM 519 N GLN A 33 124.552 -5.725 1.167 1.00 0.00 N ATOM 520 CA GLN A 33 125.498 -6.741 0.693 1.00 0.00 C ATOM 521 C GLN A 33 124.898 -7.608 -0.416 1.00 0.00 C ATOM 522 O GLN A 33 125.623 -8.155 -1.247 1.00 0.00 O ATOM 523 CB GLN A 33 125.953 -7.638 1.846 1.00 0.00 C ATOM 524 CG GLN A 33 124.960 -8.737 2.188 1.00 0.00 C ATOM 525 CD GLN A 33 125.450 -10.112 1.777 1.00 0.00 C ATOM 526 OE1 GLN A 33 126.503 -10.567 2.221 1.00 0.00 O ATOM 527 NE2 GLN A 33 124.684 -10.782 0.923 1.00 0.00 N ATOM 0 H GLN A 33 124.308 -5.797 2.155 1.00 0.00 H new ATOM 0 HA GLN A 33 126.356 -6.207 0.285 1.00 0.00 H new ATOM 0 HB2 GLN A 33 126.910 -8.092 1.587 1.00 0.00 H new ATOM 0 HB3 GLN A 33 126.121 -7.023 2.730 1.00 0.00 H new ATOM 0 HG2 GLN A 33 124.769 -8.729 3.261 1.00 0.00 H new ATOM 0 HG3 GLN A 33 124.011 -8.531 1.694 1.00 0.00 H new ATOM 0 HE21 GLN A 33 123.818 -10.366 0.580 1.00 0.00 H new ATOM 0 HE22 GLN A 33 124.962 -11.712 0.610 1.00 0.00 H new ATOM 536 N PHE A 34 123.580 -7.762 -0.398 1.00 0.00 N ATOM 537 CA PHE A 34 122.880 -8.601 -1.372 1.00 0.00 C ATOM 538 C PHE A 34 123.145 -8.204 -2.827 1.00 0.00 C ATOM 539 O PHE A 34 123.475 -9.056 -3.651 1.00 0.00 O ATOM 540 CB PHE A 34 121.378 -8.557 -1.092 1.00 0.00 C ATOM 541 CG PHE A 34 120.530 -9.083 -2.215 1.00 0.00 C ATOM 542 CD1 PHE A 34 120.455 -8.400 -3.414 1.00 0.00 C ATOM 543 CD2 PHE A 34 119.807 -10.255 -2.067 1.00 0.00 C ATOM 544 CE1 PHE A 34 119.675 -8.874 -4.451 1.00 0.00 C ATOM 545 CE2 PHE A 34 119.024 -10.735 -3.099 1.00 0.00 C ATOM 546 CZ PHE A 34 118.958 -10.044 -4.293 1.00 0.00 C ATOM 0 H PHE A 34 122.968 -7.315 0.284 1.00 0.00 H new ATOM 0 HA PHE A 34 123.269 -9.612 -1.253 1.00 0.00 H new ATOM 0 HB2 PHE A 34 121.170 -9.135 -0.192 1.00 0.00 H new ATOM 0 HB3 PHE A 34 121.088 -7.527 -0.883 1.00 0.00 H new ATOM 0 HD1 PHE A 34 121.013 -7.484 -3.542 1.00 0.00 H new ATOM 0 HD2 PHE A 34 119.856 -10.799 -1.135 1.00 0.00 H new ATOM 0 HE1 PHE A 34 119.626 -8.331 -5.383 1.00 0.00 H new ATOM 0 HE2 PHE A 34 118.464 -11.650 -2.972 1.00 0.00 H new ATOM 0 HZ PHE A 34 118.347 -10.418 -5.101 1.00 0.00 H new ATOM 556 N LEU A 35 122.965 -6.930 -3.157 1.00 0.00 N ATOM 557 CA LEU A 35 123.155 -6.478 -4.537 1.00 0.00 C ATOM 558 C LEU A 35 124.575 -6.743 -5.036 1.00 0.00 C ATOM 559 O LEU A 35 124.830 -6.708 -6.241 1.00 0.00 O ATOM 560 CB LEU A 35 122.757 -4.999 -4.717 1.00 0.00 C ATOM 561 CG LEU A 35 123.503 -3.977 -3.858 1.00 0.00 C ATOM 562 CD1 LEU A 35 122.602 -3.448 -2.747 1.00 0.00 C ATOM 563 CD2 LEU A 35 124.754 -4.591 -3.280 1.00 0.00 C ATOM 0 H LEU A 35 122.692 -6.198 -2.501 1.00 0.00 H new ATOM 0 HA LEU A 35 122.482 -7.071 -5.157 1.00 0.00 H new ATOM 0 HB2 LEU A 35 122.901 -4.733 -5.764 1.00 0.00 H new ATOM 0 HB3 LEU A 35 121.691 -4.906 -4.508 1.00 0.00 H new ATOM 0 HG LEU A 35 123.790 -3.138 -4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 35 123.152 -2.722 -2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 35 121.727 -2.968 -3.186 1.00 0.00 H new ATOM 0 HD13 LEU A 35 122.282 -4.275 -2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 35 125.274 -3.852 -2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 35 124.486 -5.447 -2.661 1.00 0.00 H new ATOM 0 HD23 LEU A 35 125.406 -4.918 -4.090 1.00 0.00 H new ATOM 575 N ALA A 36 125.497 -7.007 -4.115 1.00 0.00 N ATOM 576 CA ALA A 36 126.884 -7.273 -4.480 1.00 0.00 C ATOM 577 C ALA A 36 126.992 -8.510 -5.364 1.00 0.00 C ATOM 578 O ALA A 36 127.841 -8.576 -6.253 1.00 0.00 O ATOM 579 CB ALA A 36 127.735 -7.440 -3.230 1.00 0.00 C ATOM 0 H ALA A 36 125.309 -7.042 -3.113 1.00 0.00 H new ATOM 0 HA ALA A 36 127.254 -6.420 -5.048 1.00 0.00 H new ATOM 0 HB1 ALA A 36 128.768 -7.638 -3.517 1.00 0.00 H new ATOM 0 HB2 ALA A 36 127.692 -6.527 -2.636 1.00 0.00 H new ATOM 0 HB3 ALA A 36 127.356 -8.275 -2.640 1.00 0.00 H new ATOM 707 N VAL A 45 128.223 1.057 -4.123 1.00 0.00 N ATOM 708 CA VAL A 45 127.008 1.079 -3.319 1.00 0.00 C ATOM 709 C VAL A 45 127.329 1.193 -1.835 1.00 0.00 C ATOM 710 O VAL A 45 126.439 1.100 -0.989 1.00 0.00 O ATOM 711 CB VAL A 45 126.162 -0.185 -3.535 1.00 0.00 C ATOM 712 CG1 VAL A 45 124.858 0.156 -4.241 1.00 0.00 C ATOM 713 CG2 VAL A 45 126.946 -1.228 -4.318 1.00 0.00 C ATOM 0 HA VAL A 45 126.442 1.953 -3.642 1.00 0.00 H new ATOM 0 HB VAL A 45 125.919 -0.606 -2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 45 124.273 -0.753 -4.384 1.00 0.00 H new ATOM 0 HG12 VAL A 45 124.290 0.861 -3.635 1.00 0.00 H new ATOM 0 HG13 VAL A 45 125.076 0.604 -5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 45 126.329 -2.115 -4.460 1.00 0.00 H new ATOM 0 HG22 VAL A 45 127.225 -0.820 -5.290 1.00 0.00 H new ATOM 0 HG23 VAL A 45 127.846 -1.497 -3.766 1.00 0.00 H new ATOM 723 N LEU A 46 128.603 1.395 -1.520 1.00 0.00 N ATOM 724 CA LEU A 46 129.027 1.517 -0.132 1.00 0.00 C ATOM 725 C LEU A 46 128.251 2.630 0.558 1.00 0.00 C ATOM 726 O LEU A 46 127.830 2.489 1.705 1.00 0.00 O ATOM 727 CB LEU A 46 130.529 1.797 -0.053 1.00 0.00 C ATOM 728 CG LEU A 46 131.294 0.948 0.964 1.00 0.00 C ATOM 729 CD1 LEU A 46 132.693 1.503 1.178 1.00 0.00 C ATOM 730 CD2 LEU A 46 130.535 0.885 2.281 1.00 0.00 C ATOM 0 H LEU A 46 129.356 1.477 -2.203 1.00 0.00 H new ATOM 0 HA LEU A 46 128.822 0.575 0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 46 130.965 1.636 -1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 46 130.674 2.849 0.192 1.00 0.00 H new ATOM 0 HG LEU A 46 131.385 -0.064 0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 46 133.222 0.886 1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 46 133.236 1.496 0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 46 132.626 2.525 1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 46 131.093 0.277 2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 46 130.414 1.892 2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 46 129.554 0.440 2.115 1.00 0.00 H new ATOM 742 N TYR A 47 128.048 3.729 -0.158 1.00 0.00 N ATOM 743 CA TYR A 47 127.303 4.857 0.381 1.00 0.00 C ATOM 744 C TYR A 47 125.878 4.432 0.715 1.00 0.00 C ATOM 745 O TYR A 47 125.327 4.822 1.745 1.00 0.00 O ATOM 746 CB TYR A 47 127.286 6.012 -0.621 1.00 0.00 C ATOM 747 CG TYR A 47 127.179 7.375 0.027 1.00 0.00 C ATOM 748 CD1 TYR A 47 125.944 7.902 0.381 1.00 0.00 C ATOM 749 CD2 TYR A 47 128.315 8.133 0.284 1.00 0.00 C ATOM 750 CE1 TYR A 47 125.842 9.147 0.973 1.00 0.00 C ATOM 751 CE2 TYR A 47 128.221 9.378 0.876 1.00 0.00 C ATOM 752 CZ TYR A 47 126.983 9.880 1.218 1.00 0.00 C ATOM 753 OH TYR A 47 126.887 11.121 1.807 1.00 0.00 O ATOM 0 H TYR A 47 128.388 3.862 -1.110 1.00 0.00 H new ATOM 0 HA TYR A 47 127.794 5.195 1.293 1.00 0.00 H new ATOM 0 HB2 TYR A 47 128.195 5.975 -1.221 1.00 0.00 H new ATOM 0 HB3 TYR A 47 126.447 5.877 -1.304 1.00 0.00 H new ATOM 0 HD1 TYR A 47 125.048 7.330 0.191 1.00 0.00 H new ATOM 0 HD2 TYR A 47 129.286 7.743 0.017 1.00 0.00 H new ATOM 0 HE1 TYR A 47 124.874 9.543 1.242 1.00 0.00 H new ATOM 0 HE2 TYR A 47 129.113 9.955 1.070 1.00 0.00 H new ATOM 0 HH TYR A 47 127.783 11.504 1.911 1.00 0.00 H new ATOM 763 N PHE A 48 125.290 3.619 -0.160 1.00 0.00 N ATOM 764 CA PHE A 48 123.933 3.133 0.045 1.00 0.00 C ATOM 765 C PHE A 48 123.841 2.328 1.335 1.00 0.00 C ATOM 766 O PHE A 48 122.805 2.316 1.995 1.00 0.00 O ATOM 767 CB PHE A 48 123.456 2.293 -1.147 1.00 0.00 C ATOM 768 CG PHE A 48 122.330 2.940 -1.900 1.00 0.00 C ATOM 769 CD1 PHE A 48 122.334 4.310 -2.112 1.00 0.00 C ATOM 770 CD2 PHE A 48 121.265 2.192 -2.386 1.00 0.00 C ATOM 771 CE1 PHE A 48 121.303 4.924 -2.793 1.00 0.00 C ATOM 772 CE2 PHE A 48 120.231 2.807 -3.068 1.00 0.00 C ATOM 773 CZ PHE A 48 120.251 4.173 -3.271 1.00 0.00 C ATOM 0 H PHE A 48 125.734 3.285 -1.016 1.00 0.00 H new ATOM 0 HA PHE A 48 123.278 4.000 0.128 1.00 0.00 H new ATOM 0 HB2 PHE A 48 124.292 2.126 -1.826 1.00 0.00 H new ATOM 0 HB3 PHE A 48 123.134 1.315 -0.791 1.00 0.00 H new ATOM 0 HD1 PHE A 48 123.155 4.905 -1.739 1.00 0.00 H new ATOM 0 HD2 PHE A 48 121.244 1.123 -2.230 1.00 0.00 H new ATOM 0 HE1 PHE A 48 121.320 5.992 -2.951 1.00 0.00 H new ATOM 0 HE2 PHE A 48 119.407 2.218 -3.442 1.00 0.00 H new ATOM 0 HZ PHE A 48 119.443 4.652 -3.804 1.00 0.00 H new ATOM 783 N ARG A 49 124.928 1.654 1.690 1.00 0.00 N ATOM 784 CA ARG A 49 124.953 0.842 2.901 1.00 0.00 C ATOM 785 C ARG A 49 124.564 1.666 4.128 1.00 0.00 C ATOM 786 O ARG A 49 123.849 1.185 5.010 1.00 0.00 O ATOM 787 CB ARG A 49 126.345 0.239 3.101 1.00 0.00 C ATOM 788 CG ARG A 49 126.322 -1.233 3.480 1.00 0.00 C ATOM 789 CD ARG A 49 126.676 -2.119 2.295 1.00 0.00 C ATOM 790 NE ARG A 49 128.070 -1.963 1.892 1.00 0.00 N ATOM 791 CZ ARG A 49 128.563 -2.430 0.749 1.00 0.00 C ATOM 792 NH1 ARG A 49 127.775 -3.076 -0.099 1.00 0.00 N ATOM 793 NH2 ARG A 49 129.843 -2.250 0.454 1.00 0.00 N ATOM 0 H ARG A 49 125.800 1.653 1.160 1.00 0.00 H new ATOM 0 HA ARG A 49 124.224 0.040 2.783 1.00 0.00 H new ATOM 0 HB2 ARG A 49 126.920 0.360 2.183 1.00 0.00 H new ATOM 0 HB3 ARG A 49 126.866 0.798 3.879 1.00 0.00 H new ATOM 0 HG2 ARG A 49 127.026 -1.412 4.293 1.00 0.00 H new ATOM 0 HG3 ARG A 49 125.332 -1.499 3.852 1.00 0.00 H new ATOM 0 HD2 ARG A 49 126.488 -3.161 2.553 1.00 0.00 H new ATOM 0 HD3 ARG A 49 126.026 -1.876 1.454 1.00 0.00 H new ATOM 0 HE ARG A 49 128.701 -1.468 2.522 1.00 0.00 H new ATOM 0 HH11 ARG A 49 126.790 -3.215 0.125 1.00 0.00 H new ATOM 0 HH12 ARG A 49 128.154 -3.434 -0.976 1.00 0.00 H new ATOM 0 HH21 ARG A 49 130.451 -1.753 1.104 1.00 0.00 H new ATOM 0 HH22 ARG A 49 130.220 -2.609 -0.423 1.00 0.00 H new ATOM 807 N GLU A 50 125.032 2.907 4.175 1.00 0.00 N ATOM 808 CA GLU A 50 124.738 3.799 5.294 1.00 0.00 C ATOM 809 C GLU A 50 123.236 4.009 5.475 1.00 0.00 C ATOM 810 O GLU A 50 122.766 4.251 6.587 1.00 0.00 O ATOM 811 CB GLU A 50 125.428 5.147 5.087 1.00 0.00 C ATOM 812 CG GLU A 50 126.881 5.028 4.656 1.00 0.00 C ATOM 813 CD GLU A 50 127.777 6.042 5.339 1.00 0.00 C ATOM 814 OE1 GLU A 50 127.279 6.780 6.215 1.00 0.00 O ATOM 815 OE2 GLU A 50 128.978 6.098 4.998 1.00 0.00 O ATOM 0 H GLU A 50 125.618 3.321 3.450 1.00 0.00 H new ATOM 0 HA GLU A 50 125.120 3.326 6.199 1.00 0.00 H new ATOM 0 HB2 GLU A 50 124.880 5.714 4.335 1.00 0.00 H new ATOM 0 HB3 GLU A 50 125.379 5.717 6.015 1.00 0.00 H new ATOM 0 HG2 GLU A 50 127.241 4.023 4.878 1.00 0.00 H new ATOM 0 HG3 GLU A 50 126.948 5.159 3.576 1.00 0.00 H new ATOM 822 N LEU A 51 122.489 3.942 4.379 1.00 0.00 N ATOM 823 CA LEU A 51 121.044 4.153 4.425 1.00 0.00 C ATOM 824 C LEU A 51 120.346 3.176 5.373 1.00 0.00 C ATOM 825 O LEU A 51 119.428 3.564 6.097 1.00 0.00 O ATOM 826 CB LEU A 51 120.444 4.030 3.022 1.00 0.00 C ATOM 827 CG LEU A 51 120.329 5.345 2.251 1.00 0.00 C ATOM 828 CD1 LEU A 51 120.682 5.137 0.786 1.00 0.00 C ATOM 829 CD2 LEU A 51 118.927 5.921 2.387 1.00 0.00 C ATOM 0 H LEU A 51 122.857 3.744 3.449 1.00 0.00 H new ATOM 0 HA LEU A 51 120.880 5.160 4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 51 121.054 3.338 2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 51 119.452 3.587 3.105 1.00 0.00 H new ATOM 0 HG LEU A 51 121.036 6.057 2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 51 120.595 6.084 0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 51 121.705 4.769 0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 51 120.000 4.409 0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 51 118.863 6.857 1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 51 118.202 5.212 1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 51 118.711 6.107 3.439 1.00 0.00 H new ATOM 841 N LEU A 52 120.773 1.916 5.375 1.00 0.00 N ATOM 842 CA LEU A 52 120.156 0.917 6.248 1.00 0.00 C ATOM 843 C LEU A 52 120.374 1.271 7.713 1.00 0.00 C ATOM 844 O LEU A 52 119.544 0.956 8.566 1.00 0.00 O ATOM 845 CB LEU A 52 120.714 -0.480 5.972 1.00 0.00 C ATOM 846 CG LEU A 52 119.859 -1.379 5.069 1.00 0.00 C ATOM 847 CD1 LEU A 52 119.194 -2.478 5.881 1.00 0.00 C ATOM 848 CD2 LEU A 52 118.809 -0.574 4.315 1.00 0.00 C ATOM 0 H LEU A 52 121.532 1.564 4.792 1.00 0.00 H new ATOM 0 HA LEU A 52 119.087 0.915 6.035 1.00 0.00 H new ATOM 0 HB2 LEU A 52 121.699 -0.373 5.517 1.00 0.00 H new ATOM 0 HB3 LEU A 52 120.857 -0.988 6.926 1.00 0.00 H new ATOM 0 HG LEU A 52 120.524 -1.836 4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 52 118.593 -3.104 5.222 1.00 0.00 H new ATOM 0 HD12 LEU A 52 119.958 -3.088 6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 52 118.553 -2.032 6.642 1.00 0.00 H new ATOM 0 HD21 LEU A 52 118.221 -1.242 3.685 1.00 0.00 H new ATOM 0 HD22 LEU A 52 118.152 -0.076 5.028 1.00 0.00 H new ATOM 0 HD23 LEU A 52 119.301 0.173 3.692 1.00 0.00 H new ATOM 860 N ALA A 53 121.494 1.922 8.001 1.00 0.00 N ATOM 861 CA ALA A 53 121.815 2.307 9.366 1.00 0.00 C ATOM 862 C ALA A 53 120.716 3.183 9.954 1.00 0.00 C ATOM 863 O ALA A 53 120.409 3.096 11.142 1.00 0.00 O ATOM 864 CB ALA A 53 123.152 3.032 9.411 1.00 0.00 C ATOM 0 H ALA A 53 122.192 2.193 7.309 1.00 0.00 H new ATOM 0 HA ALA A 53 121.888 1.401 9.968 1.00 0.00 H new ATOM 0 HB1 ALA A 53 123.379 3.314 10.439 1.00 0.00 H new ATOM 0 HB2 ALA A 53 123.935 2.374 9.034 1.00 0.00 H new ATOM 0 HB3 ALA A 53 123.101 3.928 8.792 1.00 0.00 H new ATOM 870 N GLY A 54 120.114 4.017 9.112 1.00 0.00 N ATOM 871 CA GLY A 54 119.050 4.886 9.578 1.00 0.00 C ATOM 872 C GLY A 54 117.890 4.099 10.148 1.00 0.00 C ATOM 873 O GLY A 54 117.300 4.488 11.156 1.00 0.00 O ATOM 0 H GLY A 54 120.342 4.106 8.122 1.00 0.00 H new ATOM 0 HA2 GLY A 54 119.440 5.562 10.339 1.00 0.00 H new ATOM 0 HA3 GLY A 54 118.698 5.505 8.752 1.00 0.00 H new ATOM 877 N VAL A 55 117.579 2.976 9.513 1.00 0.00 N ATOM 878 CA VAL A 55 116.500 2.116 9.971 1.00 0.00 C ATOM 879 C VAL A 55 116.873 1.479 11.300 1.00 0.00 C ATOM 880 O VAL A 55 116.024 1.250 12.161 1.00 0.00 O ATOM 881 CB VAL A 55 116.183 1.007 8.949 1.00 0.00 C ATOM 882 CG1 VAL A 55 114.793 0.440 9.188 1.00 0.00 C ATOM 883 CG2 VAL A 55 116.314 1.537 7.529 1.00 0.00 C ATOM 0 H VAL A 55 118.060 2.641 8.679 1.00 0.00 H new ATOM 0 HA VAL A 55 115.612 2.737 10.089 1.00 0.00 H new ATOM 0 HB VAL A 55 116.905 0.201 9.080 1.00 0.00 H new ATOM 0 HG11 VAL A 55 114.588 -0.341 8.456 1.00 0.00 H new ATOM 0 HG12 VAL A 55 114.739 0.020 10.192 1.00 0.00 H new ATOM 0 HG13 VAL A 55 114.054 1.234 9.087 1.00 0.00 H new ATOM 0 HG21 VAL A 55 116.087 0.740 6.821 1.00 0.00 H new ATOM 0 HG22 VAL A 55 115.617 2.362 7.383 1.00 0.00 H new ATOM 0 HG23 VAL A 55 117.332 1.889 7.364 1.00 0.00 H new ATOM 893 N ALA A 56 118.162 1.199 11.450 1.00 0.00 N ATOM 894 CA ALA A 56 118.683 0.590 12.661 1.00 0.00 C ATOM 895 C ALA A 56 118.644 1.573 13.826 1.00 0.00 C ATOM 896 O ALA A 56 118.669 1.176 14.991 1.00 0.00 O ATOM 897 CB ALA A 56 120.101 0.103 12.416 1.00 0.00 C ATOM 0 H ALA A 56 118.869 1.387 10.739 1.00 0.00 H new ATOM 0 HA ALA A 56 118.055 -0.261 12.925 1.00 0.00 H new ATOM 0 HB1 ALA A 56 120.491 -0.354 13.326 1.00 0.00 H new ATOM 0 HB2 ALA A 56 120.099 -0.633 11.612 1.00 0.00 H new ATOM 0 HB3 ALA A 56 120.732 0.946 12.134 1.00 0.00 H new ATOM 903 N THR A 57 118.580 2.861 13.500 1.00 0.00 N ATOM 904 CA THR A 57 118.534 3.905 14.514 1.00 0.00 C ATOM 905 C THR A 57 117.285 4.763 14.343 1.00 0.00 C ATOM 906 O THR A 57 117.187 5.854 14.903 1.00 0.00 O ATOM 907 CB THR A 57 119.784 4.782 14.431 1.00 0.00 C ATOM 908 OG1 THR A 57 119.934 5.556 15.609 1.00 0.00 O ATOM 909 CG2 THR A 57 119.769 5.736 13.255 1.00 0.00 C ATOM 0 H THR A 57 118.559 3.205 12.540 1.00 0.00 H new ATOM 0 HA THR A 57 118.500 3.429 15.494 1.00 0.00 H new ATOM 0 HB THR A 57 120.615 4.088 14.306 1.00 0.00 H new ATOM 0 HG1 THR A 57 119.075 5.966 15.843 1.00 0.00 H new ATOM 0 HG21 THR A 57 120.684 6.328 13.255 1.00 0.00 H new ATOM 0 HG22 THR A 57 119.704 5.168 12.327 1.00 0.00 H new ATOM 0 HG23 THR A 57 118.908 6.399 13.335 1.00 0.00 H new ATOM 917 N ASN A 58 116.335 4.259 13.563 1.00 0.00 N ATOM 918 CA ASN A 58 115.090 4.973 13.313 1.00 0.00 C ATOM 919 C ASN A 58 114.054 4.052 12.677 1.00 0.00 C ATOM 920 O ASN A 58 113.276 4.476 11.823 1.00 0.00 O ATOM 921 CB ASN A 58 115.346 6.176 12.403 1.00 0.00 C ATOM 922 CG ASN A 58 114.658 7.434 12.896 1.00 0.00 C ATOM 923 OD1 ASN A 58 114.139 7.475 14.012 1.00 0.00 O ATOM 924 ND2 ASN A 58 114.651 8.469 12.064 1.00 0.00 N ATOM 0 H ASN A 58 116.404 3.357 13.092 1.00 0.00 H new ATOM 0 HA ASN A 58 114.700 5.323 14.269 1.00 0.00 H new ATOM 0 HB2 ASN A 58 116.419 6.355 12.336 1.00 0.00 H new ATOM 0 HB3 ASN A 58 114.998 5.946 11.396 1.00 0.00 H new ATOM 0 HD21 ASN A 58 114.203 9.343 12.341 1.00 0.00 H new ATOM 0 HD22 ASN A 58 115.094 8.390 11.148 1.00 0.00 H new ATOM 931 N THR A 59 114.050 2.791 13.097 1.00 0.00 N ATOM 932 CA THR A 59 113.105 1.818 12.563 1.00 0.00 C ATOM 933 C THR A 59 111.671 2.234 12.874 1.00 0.00 C ATOM 934 O THR A 59 110.815 2.255 11.989 1.00 0.00 O ATOM 935 CB THR A 59 113.384 0.429 13.141 1.00 0.00 C ATOM 936 OG1 THR A 59 114.622 0.411 13.829 1.00 0.00 O ATOM 937 CG2 THR A 59 113.427 -0.660 12.090 1.00 0.00 C ATOM 0 H THR A 59 114.687 2.421 13.802 1.00 0.00 H new ATOM 0 HA THR A 59 113.230 1.781 11.481 1.00 0.00 H new ATOM 0 HB THR A 59 112.553 0.226 13.817 1.00 0.00 H new ATOM 0 HG1 THR A 59 115.356 0.382 13.181 1.00 0.00 H new ATOM 0 HG21 THR A 59 113.629 -1.619 12.568 1.00 0.00 H new ATOM 0 HG22 THR A 59 112.468 -0.706 11.574 1.00 0.00 H new ATOM 0 HG23 THR A 59 114.215 -0.440 11.370 1.00 0.00 H new ATOM 945 N ALA A 60 111.419 2.576 14.133 1.00 0.00 N ATOM 946 CA ALA A 60 110.090 3.001 14.556 1.00 0.00 C ATOM 947 C ALA A 60 109.656 4.242 13.788 1.00 0.00 C ATOM 948 O ALA A 60 108.469 4.452 13.541 1.00 0.00 O ATOM 949 CB ALA A 60 110.070 3.266 16.053 1.00 0.00 C ATOM 0 H ALA A 60 112.117 2.567 14.877 1.00 0.00 H new ATOM 0 HA ALA A 60 109.385 2.199 14.338 1.00 0.00 H new ATOM 0 HB1 ALA A 60 109.071 3.582 16.353 1.00 0.00 H new ATOM 0 HB2 ALA A 60 110.338 2.355 16.587 1.00 0.00 H new ATOM 0 HB3 ALA A 60 110.787 4.051 16.293 1.00 0.00 H new ATOM 955 N TYR A 61 110.634 5.050 13.395 1.00 0.00 N ATOM 956 CA TYR A 61 110.365 6.264 12.636 1.00 0.00 C ATOM 957 C TYR A 61 109.740 5.890 11.308 1.00 0.00 C ATOM 958 O TYR A 61 108.760 6.492 10.871 1.00 0.00 O ATOM 959 CB TYR A 61 111.655 7.056 12.415 1.00 0.00 C ATOM 960 CG TYR A 61 111.591 8.004 11.238 1.00 0.00 C ATOM 961 CD1 TYR A 61 110.504 8.850 11.061 1.00 0.00 C ATOM 962 CD2 TYR A 61 112.620 8.052 10.306 1.00 0.00 C ATOM 963 CE1 TYR A 61 110.444 9.720 9.989 1.00 0.00 C ATOM 964 CE2 TYR A 61 112.567 8.918 9.230 1.00 0.00 C ATOM 965 CZ TYR A 61 111.478 9.750 9.077 1.00 0.00 C ATOM 966 OH TYR A 61 111.424 10.615 8.009 1.00 0.00 O ATOM 0 H TYR A 61 111.622 4.885 13.590 1.00 0.00 H new ATOM 0 HA TYR A 61 109.675 6.895 13.197 1.00 0.00 H new ATOM 0 HB2 TYR A 61 111.881 7.625 13.317 1.00 0.00 H new ATOM 0 HB3 TYR A 61 112.478 6.358 12.264 1.00 0.00 H new ATOM 0 HD1 TYR A 61 109.692 8.828 11.773 1.00 0.00 H new ATOM 0 HD2 TYR A 61 113.475 7.403 10.424 1.00 0.00 H new ATOM 0 HE1 TYR A 61 109.592 10.373 9.866 1.00 0.00 H new ATOM 0 HE2 TYR A 61 113.374 8.943 8.513 1.00 0.00 H new ATOM 0 HH TYR A 61 112.313 10.690 7.603 1.00 0.00 H new ATOM 976 N LEU A 62 110.297 4.856 10.692 1.00 0.00 N ATOM 977 CA LEU A 62 109.780 4.355 9.435 1.00 0.00 C ATOM 978 C LEU A 62 108.396 3.777 9.673 1.00 0.00 C ATOM 979 O LEU A 62 107.537 3.793 8.793 1.00 0.00 O ATOM 980 CB LEU A 62 110.711 3.289 8.853 1.00 0.00 C ATOM 981 CG LEU A 62 111.930 3.831 8.104 1.00 0.00 C ATOM 982 CD1 LEU A 62 112.688 2.700 7.429 1.00 0.00 C ATOM 983 CD2 LEU A 62 111.506 4.877 7.084 1.00 0.00 C ATOM 0 H LEU A 62 111.108 4.350 11.047 1.00 0.00 H new ATOM 0 HA LEU A 62 109.720 5.172 8.716 1.00 0.00 H new ATOM 0 HB2 LEU A 62 111.058 2.649 9.665 1.00 0.00 H new ATOM 0 HB3 LEU A 62 110.137 2.659 8.173 1.00 0.00 H new ATOM 0 HG LEU A 62 112.595 4.305 8.825 1.00 0.00 H new ATOM 0 HD11 LEU A 62 113.552 3.105 6.901 1.00 0.00 H new ATOM 0 HD12 LEU A 62 113.024 1.987 8.182 1.00 0.00 H new ATOM 0 HD13 LEU A 62 112.033 2.196 6.719 1.00 0.00 H new ATOM 0 HD21 LEU A 62 112.385 5.252 6.560 1.00 0.00 H new ATOM 0 HD22 LEU A 62 110.820 4.428 6.366 1.00 0.00 H new ATOM 0 HD23 LEU A 62 111.008 5.702 7.594 1.00 0.00 H new ATOM 995 N ASP A 63 108.191 3.273 10.889 1.00 0.00 N ATOM 996 CA ASP A 63 106.909 2.693 11.266 1.00 0.00 C ATOM 997 C ASP A 63 105.795 3.723 11.114 1.00 0.00 C ATOM 998 O ASP A 63 104.633 3.370 10.917 1.00 0.00 O ATOM 999 CB ASP A 63 106.958 2.183 12.708 1.00 0.00 C ATOM 1000 CG ASP A 63 105.800 1.260 13.035 1.00 0.00 C ATOM 1001 OD1 ASP A 63 104.645 1.736 13.040 1.00 0.00 O ATOM 1002 OD2 ASP A 63 106.049 0.062 13.285 1.00 0.00 O ATOM 0 H ASP A 63 108.896 3.256 11.626 1.00 0.00 H new ATOM 0 HA ASP A 63 106.703 1.853 10.603 1.00 0.00 H new ATOM 0 HB2 ASP A 63 107.897 1.655 12.872 1.00 0.00 H new ATOM 0 HB3 ASP A 63 106.946 3.032 13.391 1.00 0.00 H new ATOM 1007 N GLY A 64 106.161 4.998 11.203 1.00 0.00 N ATOM 1008 CA GLY A 64 105.183 6.059 11.066 1.00 0.00 C ATOM 1009 C GLY A 64 104.523 6.057 9.702 1.00 0.00 C ATOM 1010 O GLY A 64 103.308 6.223 9.591 1.00 0.00 O ATOM 0 H GLY A 64 107.117 5.314 11.367 1.00 0.00 H new ATOM 0 HA2 GLY A 64 104.420 5.949 11.837 1.00 0.00 H new ATOM 0 HA3 GLY A 64 105.668 7.021 11.232 1.00 0.00 H new ATOM 1014 N LEU A 65 105.326 5.859 8.659 1.00 0.00 N ATOM 1015 CA LEU A 65 104.812 5.827 7.295 1.00 0.00 C ATOM 1016 C LEU A 65 103.967 4.577 7.072 1.00 0.00 C ATOM 1017 O LEU A 65 102.906 4.632 6.452 1.00 0.00 O ATOM 1018 CB LEU A 65 105.967 5.852 6.289 1.00 0.00 C ATOM 1019 CG LEU A 65 106.786 7.140 6.258 1.00 0.00 C ATOM 1020 CD1 LEU A 65 106.693 7.803 4.890 1.00 0.00 C ATOM 1021 CD2 LEU A 65 106.329 8.097 7.347 1.00 0.00 C ATOM 0 H LEU A 65 106.334 5.719 8.734 1.00 0.00 H new ATOM 0 HA LEU A 65 104.189 6.709 7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 65 106.637 5.022 6.511 1.00 0.00 H new ATOM 0 HB3 LEU A 65 105.561 5.676 5.293 1.00 0.00 H new ATOM 0 HG LEU A 65 107.829 6.883 6.445 1.00 0.00 H new ATOM 0 HD11 LEU A 65 107.283 8.719 4.889 1.00 0.00 H new ATOM 0 HD12 LEU A 65 107.077 7.123 4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 65 105.652 8.042 4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 65 106.927 9.008 7.306 1.00 0.00 H new ATOM 0 HD22 LEU A 65 105.278 8.345 7.196 1.00 0.00 H new ATOM 0 HD23 LEU A 65 106.454 7.625 8.322 1.00 0.00 H new ATOM 1033 N MET A 66 104.451 3.450 7.583 1.00 0.00 N ATOM 1034 CA MET A 66 103.751 2.182 7.442 1.00 0.00 C ATOM 1035 C MET A 66 102.569 2.102 8.405 1.00 0.00 C ATOM 1036 O MET A 66 101.540 1.504 8.095 1.00 0.00 O ATOM 1037 CB MET A 66 104.719 1.026 7.691 1.00 0.00 C ATOM 1038 CG MET A 66 104.074 -0.188 8.329 1.00 0.00 C ATOM 1039 SD MET A 66 102.715 -0.853 7.349 1.00 0.00 S ATOM 1040 CE MET A 66 103.600 -1.983 6.277 1.00 0.00 C ATOM 0 H MET A 66 105.328 3.391 8.100 1.00 0.00 H new ATOM 0 HA MET A 66 103.363 2.111 6.426 1.00 0.00 H new ATOM 0 HB2 MET A 66 105.168 0.730 6.743 1.00 0.00 H new ATOM 0 HB3 MET A 66 105.528 1.374 8.332 1.00 0.00 H new ATOM 0 HG2 MET A 66 104.828 -0.963 8.469 1.00 0.00 H new ATOM 0 HG3 MET A 66 103.705 0.080 9.319 1.00 0.00 H new ATOM 0 HE1 MET A 66 102.936 -2.327 5.484 1.00 0.00 H new ATOM 0 HE2 MET A 66 104.456 -1.472 5.837 1.00 0.00 H new ATOM 0 HE3 MET A 66 103.947 -2.838 6.857 1.00 0.00 H new ATOM 1050 N LYS A 67 102.729 2.713 9.576 1.00 0.00 N ATOM 1051 CA LYS A 67 101.681 2.718 10.592 1.00 0.00 C ATOM 1052 C LYS A 67 100.296 2.762 9.953 1.00 0.00 C ATOM 1053 O LYS A 67 99.477 1.866 10.158 1.00 0.00 O ATOM 1054 CB LYS A 67 101.859 3.917 11.526 1.00 0.00 C ATOM 1055 CG LYS A 67 101.795 3.553 13.000 1.00 0.00 C ATOM 1056 CD LYS A 67 101.482 4.767 13.860 1.00 0.00 C ATOM 1057 CE LYS A 67 101.621 4.452 15.340 1.00 0.00 C ATOM 1058 NZ LYS A 67 102.522 5.415 16.032 1.00 0.00 N ATOM 0 H LYS A 67 103.577 3.212 9.845 1.00 0.00 H new ATOM 0 HA LYS A 67 101.765 1.796 11.167 1.00 0.00 H new ATOM 0 HB2 LYS A 67 102.819 4.390 11.318 1.00 0.00 H new ATOM 0 HB3 LYS A 67 101.087 4.655 11.308 1.00 0.00 H new ATOM 0 HG2 LYS A 67 101.032 2.790 13.155 1.00 0.00 H new ATOM 0 HG3 LYS A 67 102.746 3.121 13.311 1.00 0.00 H new ATOM 0 HD2 LYS A 67 102.154 5.584 13.596 1.00 0.00 H new ATOM 0 HD3 LYS A 67 100.468 5.109 13.653 1.00 0.00 H new ATOM 0 HE2 LYS A 67 100.638 4.474 15.809 1.00 0.00 H new ATOM 0 HE3 LYS A 67 102.009 3.441 15.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 102.590 5.165 17.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 103.468 5.376 15.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 102.139 6.377 15.939 1.00 0.00 H new ATOM 1072 N PRO A 68 100.019 3.816 9.172 1.00 0.00 N ATOM 1073 CA PRO A 68 98.740 3.996 8.502 1.00 0.00 C ATOM 1074 C PRO A 68 98.105 2.678 8.066 1.00 0.00 C ATOM 1075 O PRO A 68 96.882 2.568 7.990 1.00 0.00 O ATOM 1076 CB PRO A 68 99.109 4.842 7.286 1.00 0.00 C ATOM 1077 CG PRO A 68 100.351 5.588 7.663 1.00 0.00 C ATOM 1078 CD PRO A 68 100.937 4.925 8.887 1.00 0.00 C ATOM 0 HA PRO A 68 97.998 4.452 9.157 1.00 0.00 H new ATOM 0 HB2 PRO A 68 99.281 4.214 6.412 1.00 0.00 H new ATOM 0 HB3 PRO A 68 98.303 5.530 7.030 1.00 0.00 H new ATOM 0 HG2 PRO A 68 101.068 5.575 6.842 1.00 0.00 H new ATOM 0 HG3 PRO A 68 100.121 6.633 7.869 1.00 0.00 H new ATOM 0 HD2 PRO A 68 101.949 4.566 8.699 1.00 0.00 H new ATOM 0 HD3 PRO A 68 100.996 5.619 9.726 1.00 0.00 H new ATOM 1086 N TYR A 69 98.936 1.678 7.779 1.00 0.00 N ATOM 1087 CA TYR A 69 98.435 0.377 7.351 1.00 0.00 C ATOM 1088 C TYR A 69 99.201 -0.757 8.023 1.00 0.00 C ATOM 1089 O TYR A 69 100.030 -1.415 7.395 1.00 0.00 O ATOM 1090 CB TYR A 69 98.529 0.240 5.833 1.00 0.00 C ATOM 1091 CG TYR A 69 99.913 0.498 5.296 1.00 0.00 C ATOM 1092 CD1 TYR A 69 100.446 1.779 5.298 1.00 0.00 C ATOM 1093 CD2 TYR A 69 100.688 -0.536 4.792 1.00 0.00 C ATOM 1094 CE1 TYR A 69 101.713 2.022 4.812 1.00 0.00 C ATOM 1095 CE2 TYR A 69 101.958 -0.302 4.305 1.00 0.00 C ATOM 1096 CZ TYR A 69 102.467 0.980 4.316 1.00 0.00 C ATOM 1097 OH TYR A 69 103.733 1.219 3.830 1.00 0.00 O ATOM 0 H TYR A 69 99.952 1.744 7.835 1.00 0.00 H new ATOM 0 HA TYR A 69 97.389 0.310 7.650 1.00 0.00 H new ATOM 0 HB2 TYR A 69 98.217 -0.764 5.546 1.00 0.00 H new ATOM 0 HB3 TYR A 69 97.831 0.936 5.368 1.00 0.00 H new ATOM 0 HD1 TYR A 69 99.859 2.598 5.686 1.00 0.00 H new ATOM 0 HD2 TYR A 69 100.291 -1.540 4.780 1.00 0.00 H new ATOM 0 HE1 TYR A 69 102.113 3.025 4.820 1.00 0.00 H new ATOM 0 HE2 TYR A 69 102.550 -1.118 3.917 1.00 0.00 H new ATOM 0 HH TYR A 69 104.291 0.425 3.967 1.00 0.00 H new ATOM 1107 N LEU A 70 98.914 -0.981 9.299 1.00 0.00 N ATOM 1108 CA LEU A 70 99.572 -2.040 10.055 1.00 0.00 C ATOM 1109 C LEU A 70 98.748 -3.323 10.015 1.00 0.00 C ATOM 1110 O LEU A 70 99.287 -4.422 10.139 1.00 0.00 O ATOM 1111 CB LEU A 70 99.786 -1.605 11.505 1.00 0.00 C ATOM 1112 CG LEU A 70 100.829 -0.502 11.716 1.00 0.00 C ATOM 1113 CD1 LEU A 70 101.587 -0.742 13.010 1.00 0.00 C ATOM 1114 CD2 LEU A 70 101.798 -0.428 10.544 1.00 0.00 C ATOM 0 H LEU A 70 98.230 -0.444 9.832 1.00 0.00 H new ATOM 0 HA LEU A 70 100.541 -2.233 9.595 1.00 0.00 H new ATOM 0 HB2 LEU A 70 98.833 -1.261 11.907 1.00 0.00 H new ATOM 0 HB3 LEU A 70 100.082 -2.477 12.088 1.00 0.00 H new ATOM 0 HG LEU A 70 100.305 0.452 11.780 1.00 0.00 H new ATOM 0 HD11 LEU A 70 102.326 0.047 13.151 1.00 0.00 H new ATOM 0 HD12 LEU A 70 100.889 -0.739 13.847 1.00 0.00 H new ATOM 0 HD13 LEU A 70 102.092 -1.707 12.962 1.00 0.00 H new ATOM 0 HD21 LEU A 70 102.526 0.364 10.723 1.00 0.00 H new ATOM 0 HD22 LEU A 70 102.317 -1.381 10.440 1.00 0.00 H new ATOM 0 HD23 LEU A 70 101.246 -0.214 9.629 1.00 0.00 H new ATOM 1126 N SER A 71 97.439 -3.173 9.843 1.00 0.00 N ATOM 1127 CA SER A 71 96.539 -4.319 9.787 1.00 0.00 C ATOM 1128 C SER A 71 96.416 -4.980 11.156 1.00 0.00 C ATOM 1129 O SER A 71 95.345 -4.984 11.762 1.00 0.00 O ATOM 1130 CB SER A 71 97.038 -5.337 8.759 1.00 0.00 C ATOM 1131 OG SER A 71 96.046 -5.602 7.782 1.00 0.00 O ATOM 0 H SER A 71 96.978 -2.269 9.740 1.00 0.00 H new ATOM 0 HA SER A 71 95.554 -3.962 9.485 1.00 0.00 H new ATOM 0 HB2 SER A 71 97.938 -4.958 8.275 1.00 0.00 H new ATOM 0 HB3 SER A 71 97.313 -6.263 9.263 1.00 0.00 H new ATOM 0 HG SER A 71 96.389 -6.254 7.136 1.00 0.00 H new ATOM 1137 N ARG A 72 97.522 -5.539 11.637 1.00 0.00 N ATOM 1138 CA ARG A 72 97.540 -6.204 12.936 1.00 0.00 C ATOM 1139 C ARG A 72 98.972 -6.437 13.405 1.00 0.00 C ATOM 1140 O ARG A 72 99.337 -6.070 14.523 1.00 0.00 O ATOM 1141 CB ARG A 72 96.792 -7.536 12.861 1.00 0.00 C ATOM 1142 CG ARG A 72 96.288 -7.873 11.467 1.00 0.00 C ATOM 1143 CD ARG A 72 95.844 -9.323 11.372 1.00 0.00 C ATOM 1144 NE ARG A 72 94.488 -9.514 11.881 1.00 0.00 N ATOM 1145 CZ ARG A 72 93.394 -9.307 11.155 1.00 0.00 C ATOM 1146 NH1 ARG A 72 93.497 -8.905 9.897 1.00 0.00 N ATOM 1147 NH2 ARG A 72 92.196 -9.503 11.690 1.00 0.00 N ATOM 0 H ARG A 72 98.417 -5.545 11.148 1.00 0.00 H new ATOM 0 HA ARG A 72 97.041 -5.556 13.656 1.00 0.00 H new ATOM 0 HB2 ARG A 72 97.452 -8.334 13.202 1.00 0.00 H new ATOM 0 HB3 ARG A 72 95.946 -7.507 13.547 1.00 0.00 H new ATOM 0 HG2 ARG A 72 95.454 -7.219 11.212 1.00 0.00 H new ATOM 0 HG3 ARG A 72 97.076 -7.684 10.738 1.00 0.00 H new ATOM 0 HD2 ARG A 72 95.891 -9.649 10.333 1.00 0.00 H new ATOM 0 HD3 ARG A 72 96.534 -9.951 11.935 1.00 0.00 H new ATOM 0 HE ARG A 72 94.375 -9.823 12.846 1.00 0.00 H new ATOM 0 HH11 ARG A 72 94.417 -8.754 9.484 1.00 0.00 H new ATOM 0 HH12 ARG A 72 92.656 -8.747 9.342 1.00 0.00 H new ATOM 0 HH21 ARG A 72 92.114 -9.813 12.658 1.00 0.00 H new ATOM 0 HH22 ARG A 72 91.356 -9.344 11.133 1.00 0.00 H new ATOM 1161 N LEU A 73 99.779 -7.048 12.545 1.00 0.00 N ATOM 1162 CA LEU A 73 101.172 -7.330 12.871 1.00 0.00 C ATOM 1163 C LEU A 73 102.066 -7.131 11.653 1.00 0.00 C ATOM 1164 O LEU A 73 101.655 -7.384 10.520 1.00 0.00 O ATOM 1165 CB LEU A 73 101.316 -8.759 13.396 1.00 0.00 C ATOM 1166 CG LEU A 73 100.503 -9.072 14.654 1.00 0.00 C ATOM 1167 CD1 LEU A 73 99.655 -10.316 14.446 1.00 0.00 C ATOM 1168 CD2 LEU A 73 101.424 -9.247 15.852 1.00 0.00 C ATOM 0 H LEU A 73 99.492 -7.358 11.616 1.00 0.00 H new ATOM 0 HA LEU A 73 101.486 -6.632 13.648 1.00 0.00 H new ATOM 0 HB2 LEU A 73 101.018 -9.451 12.608 1.00 0.00 H new ATOM 0 HB3 LEU A 73 102.369 -8.948 13.606 1.00 0.00 H new ATOM 0 HG LEU A 73 99.836 -8.232 14.851 1.00 0.00 H new ATOM 0 HD11 LEU A 73 99.084 -10.523 15.351 1.00 0.00 H new ATOM 0 HD12 LEU A 73 98.970 -10.154 13.614 1.00 0.00 H new ATOM 0 HD13 LEU A 73 100.302 -11.164 14.224 1.00 0.00 H new ATOM 0 HD21 LEU A 73 100.830 -9.469 16.738 1.00 0.00 H new ATOM 0 HD22 LEU A 73 102.115 -10.069 15.663 1.00 0.00 H new ATOM 0 HD23 LEU A 73 101.988 -8.329 16.014 1.00 0.00 H new ATOM 1180 N LEU A 74 103.292 -6.677 11.892 1.00 0.00 N ATOM 1181 CA LEU A 74 104.245 -6.444 10.813 1.00 0.00 C ATOM 1182 C LEU A 74 104.708 -7.762 10.201 1.00 0.00 C ATOM 1183 O LEU A 74 104.874 -7.870 8.987 1.00 0.00 O ATOM 1184 CB LEU A 74 105.450 -5.657 11.332 1.00 0.00 C ATOM 1185 CG LEU A 74 105.109 -4.460 12.221 1.00 0.00 C ATOM 1186 CD1 LEU A 74 105.872 -4.536 13.535 1.00 0.00 C ATOM 1187 CD2 LEU A 74 105.416 -3.157 11.498 1.00 0.00 C ATOM 0 H LEU A 74 103.649 -6.463 12.823 1.00 0.00 H new ATOM 0 HA LEU A 74 103.745 -5.862 10.039 1.00 0.00 H new ATOM 0 HB2 LEU A 74 106.093 -6.335 11.893 1.00 0.00 H new ATOM 0 HB3 LEU A 74 106.028 -5.303 10.478 1.00 0.00 H new ATOM 0 HG LEU A 74 104.042 -4.487 12.443 1.00 0.00 H new ATOM 0 HD11 LEU A 74 105.617 -3.676 14.154 1.00 0.00 H new ATOM 0 HD12 LEU A 74 105.603 -5.453 14.059 1.00 0.00 H new ATOM 0 HD13 LEU A 74 106.943 -4.533 13.334 1.00 0.00 H new ATOM 0 HD21 LEU A 74 105.168 -2.315 12.144 1.00 0.00 H new ATOM 0 HD22 LEU A 74 106.476 -3.121 11.247 1.00 0.00 H new ATOM 0 HD23 LEU A 74 104.824 -3.100 10.584 1.00 0.00 H new ATOM 1199 N GLU A 75 104.914 -8.762 11.052 1.00 0.00 N ATOM 1200 CA GLU A 75 105.358 -10.074 10.596 1.00 0.00 C ATOM 1201 C GLU A 75 104.308 -10.723 9.700 1.00 0.00 C ATOM 1202 O GLU A 75 104.604 -11.659 8.957 1.00 0.00 O ATOM 1203 CB GLU A 75 105.655 -10.980 11.793 1.00 0.00 C ATOM 1204 CG GLU A 75 106.634 -12.099 11.480 1.00 0.00 C ATOM 1205 CD GLU A 75 106.119 -13.460 11.906 1.00 0.00 C ATOM 1206 OE1 GLU A 75 105.113 -13.923 11.328 1.00 0.00 O ATOM 1207 OE2 GLU A 75 106.721 -14.063 12.819 1.00 0.00 O ATOM 0 H GLU A 75 104.781 -8.689 12.061 1.00 0.00 H new ATOM 0 HA GLU A 75 106.271 -9.939 10.016 1.00 0.00 H new ATOM 0 HB2 GLU A 75 106.056 -10.374 12.606 1.00 0.00 H new ATOM 0 HB3 GLU A 75 104.721 -11.415 12.150 1.00 0.00 H new ATOM 0 HG2 GLU A 75 106.837 -12.110 10.409 1.00 0.00 H new ATOM 0 HG3 GLU A 75 107.581 -11.899 11.982 1.00 0.00 H new ATOM 1214 N GLU A 76 103.080 -10.221 9.775 1.00 0.00 N ATOM 1215 CA GLU A 76 101.986 -10.752 8.972 1.00 0.00 C ATOM 1216 C GLU A 76 102.070 -10.248 7.534 1.00 0.00 C ATOM 1217 O GLU A 76 102.388 -11.006 6.618 1.00 0.00 O ATOM 1218 CB GLU A 76 100.640 -10.362 9.583 1.00 0.00 C ATOM 1219 CG GLU A 76 100.322 -11.099 10.874 1.00 0.00 C ATOM 1220 CD GLU A 76 99.470 -12.332 10.645 1.00 0.00 C ATOM 1221 OE1 GLU A 76 98.921 -12.478 9.532 1.00 0.00 O ATOM 1222 OE2 GLU A 76 99.351 -13.153 11.580 1.00 0.00 O ATOM 0 H GLU A 76 102.818 -9.446 10.385 1.00 0.00 H new ATOM 0 HA GLU A 76 102.071 -11.839 8.962 1.00 0.00 H new ATOM 0 HB2 GLU A 76 100.635 -9.289 9.776 1.00 0.00 H new ATOM 0 HB3 GLU A 76 99.850 -10.559 8.858 1.00 0.00 H new ATOM 0 HG2 GLU A 76 101.253 -11.390 11.361 1.00 0.00 H new ATOM 0 HG3 GLU A 76 99.803 -10.424 11.555 1.00 0.00 H new ATOM 1229 N LEU A 77 101.781 -8.965 7.346 1.00 0.00 N ATOM 1230 CA LEU A 77 101.824 -8.358 6.020 1.00 0.00 C ATOM 1231 C LEU A 77 102.962 -8.942 5.190 1.00 0.00 C ATOM 1232 O LEU A 77 103.933 -9.469 5.732 1.00 0.00 O ATOM 1233 CB LEU A 77 101.987 -6.842 6.134 1.00 0.00 C ATOM 1234 CG LEU A 77 101.014 -6.020 5.287 1.00 0.00 C ATOM 1235 CD1 LEU A 77 100.026 -5.281 6.177 1.00 0.00 C ATOM 1236 CD2 LEU A 77 101.773 -5.042 4.404 1.00 0.00 C ATOM 0 H LEU A 77 101.515 -8.325 8.094 1.00 0.00 H new ATOM 0 HA LEU A 77 100.882 -8.578 5.518 1.00 0.00 H new ATOM 0 HB2 LEU A 77 101.866 -6.557 7.179 1.00 0.00 H new ATOM 0 HB3 LEU A 77 103.005 -6.579 5.848 1.00 0.00 H new ATOM 0 HG LEU A 77 100.455 -6.701 4.645 1.00 0.00 H new ATOM 0 HD11 LEU A 77 99.341 -4.701 5.558 1.00 0.00 H new ATOM 0 HD12 LEU A 77 99.460 -6.001 6.768 1.00 0.00 H new ATOM 0 HD13 LEU A 77 100.568 -4.611 6.844 1.00 0.00 H new ATOM 0 HD21 LEU A 77 101.066 -4.465 3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 77 102.357 -4.366 5.028 1.00 0.00 H new ATOM 0 HD23 LEU A 77 102.441 -5.593 3.742 1.00 0.00 H new ATOM 1248 N GLY A 78 102.837 -8.844 3.870 1.00 0.00 N ATOM 1249 CA GLY A 78 103.863 -9.366 2.987 1.00 0.00 C ATOM 1250 C GLY A 78 105.261 -9.143 3.528 1.00 0.00 C ATOM 1251 O GLY A 78 105.694 -8.004 3.696 1.00 0.00 O ATOM 0 H GLY A 78 102.043 -8.412 3.397 1.00 0.00 H new ATOM 0 HA2 GLY A 78 103.701 -10.433 2.837 1.00 0.00 H new ATOM 0 HA3 GLY A 78 103.774 -8.890 2.010 1.00 0.00 H new ATOM 1255 N GLN A 79 105.968 -10.234 3.804 1.00 0.00 N ATOM 1256 CA GLN A 79 107.324 -10.151 4.332 1.00 0.00 C ATOM 1257 C GLN A 79 108.172 -9.188 3.508 1.00 0.00 C ATOM 1258 O GLN A 79 108.509 -8.096 3.967 1.00 0.00 O ATOM 1259 CB GLN A 79 107.974 -11.536 4.348 1.00 0.00 C ATOM 1260 CG GLN A 79 107.974 -12.191 5.720 1.00 0.00 C ATOM 1261 CD GLN A 79 109.341 -12.173 6.375 1.00 0.00 C ATOM 1262 OE1 GLN A 79 110.009 -13.203 6.474 1.00 0.00 O ATOM 1263 NE2 GLN A 79 109.765 -10.999 6.829 1.00 0.00 N ATOM 0 H GLN A 79 105.624 -11.185 3.671 1.00 0.00 H new ATOM 0 HA GLN A 79 107.266 -9.773 5.353 1.00 0.00 H new ATOM 0 HB2 GLN A 79 107.449 -12.183 3.645 1.00 0.00 H new ATOM 0 HB3 GLN A 79 109.002 -11.450 3.995 1.00 0.00 H new ATOM 0 HG2 GLN A 79 107.260 -11.677 6.364 1.00 0.00 H new ATOM 0 HG3 GLN A 79 107.634 -13.222 5.626 1.00 0.00 H new ATOM 0 HE21 GLN A 79 109.179 -10.171 6.726 1.00 0.00 H new ATOM 0 HE22 GLN A 79 110.677 -10.926 7.281 1.00 0.00 H new ATOM 1272 N VAL A 80 108.517 -9.599 2.292 1.00 0.00 N ATOM 1273 CA VAL A 80 109.332 -8.765 1.411 1.00 0.00 C ATOM 1274 C VAL A 80 108.635 -7.447 1.100 1.00 0.00 C ATOM 1275 O VAL A 80 109.220 -6.373 1.253 1.00 0.00 O ATOM 1276 CB VAL A 80 109.652 -9.468 0.074 1.00 0.00 C ATOM 1277 CG1 VAL A 80 111.020 -10.125 0.125 1.00 0.00 C ATOM 1278 CG2 VAL A 80 108.575 -10.483 -0.282 1.00 0.00 C ATOM 0 H VAL A 80 108.248 -10.499 1.894 1.00 0.00 H new ATOM 0 HA VAL A 80 110.262 -8.580 1.949 1.00 0.00 H new ATOM 0 HB VAL A 80 109.668 -8.710 -0.709 1.00 0.00 H new ATOM 0 HG11 VAL A 80 111.224 -10.614 -0.827 1.00 0.00 H new ATOM 0 HG12 VAL A 80 111.781 -9.368 0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 80 111.038 -10.866 0.925 1.00 0.00 H new ATOM 0 HG21 VAL A 80 108.826 -10.963 -1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 80 108.512 -11.237 0.502 1.00 0.00 H new ATOM 0 HG23 VAL A 80 107.614 -9.976 -0.376 1.00 0.00 H new ATOM 1288 N GLU A 81 107.383 -7.533 0.665 1.00 0.00 N ATOM 1289 CA GLU A 81 106.616 -6.344 0.323 1.00 0.00 C ATOM 1290 C GLU A 81 106.589 -5.366 1.487 1.00 0.00 C ATOM 1291 O GLU A 81 106.874 -4.181 1.317 1.00 0.00 O ATOM 1292 CB GLU A 81 105.189 -6.728 -0.070 1.00 0.00 C ATOM 1293 CG GLU A 81 104.457 -5.642 -0.843 1.00 0.00 C ATOM 1294 CD GLU A 81 102.951 -5.815 -0.807 1.00 0.00 C ATOM 1295 OE1 GLU A 81 102.368 -5.716 0.292 1.00 0.00 O ATOM 1296 OE2 GLU A 81 102.355 -6.050 -1.880 1.00 0.00 O ATOM 0 H GLU A 81 106.880 -8.412 0.542 1.00 0.00 H new ATOM 0 HA GLU A 81 107.100 -5.859 -0.525 1.00 0.00 H new ATOM 0 HB2 GLU A 81 105.219 -7.635 -0.674 1.00 0.00 H new ATOM 0 HB3 GLU A 81 104.624 -6.964 0.832 1.00 0.00 H new ATOM 0 HG2 GLU A 81 104.717 -4.668 -0.429 1.00 0.00 H new ATOM 0 HG3 GLU A 81 104.795 -5.648 -1.879 1.00 0.00 H new ATOM 1303 N LYS A 82 106.266 -5.867 2.672 1.00 0.00 N ATOM 1304 CA LYS A 82 106.218 -5.021 3.854 1.00 0.00 C ATOM 1305 C LYS A 82 107.560 -4.335 4.051 1.00 0.00 C ATOM 1306 O LYS A 82 107.620 -3.150 4.381 1.00 0.00 O ATOM 1307 CB LYS A 82 105.864 -5.850 5.092 1.00 0.00 C ATOM 1308 CG LYS A 82 105.747 -5.024 6.363 1.00 0.00 C ATOM 1309 CD LYS A 82 107.104 -4.803 7.011 1.00 0.00 C ATOM 1310 CE LYS A 82 107.245 -3.383 7.535 1.00 0.00 C ATOM 1311 NZ LYS A 82 106.348 -3.128 8.696 1.00 0.00 N ATOM 0 H LYS A 82 106.035 -6.847 2.839 1.00 0.00 H new ATOM 0 HA LYS A 82 105.446 -4.264 3.713 1.00 0.00 H new ATOM 0 HB2 LYS A 82 104.920 -6.366 4.916 1.00 0.00 H new ATOM 0 HB3 LYS A 82 106.625 -6.617 5.236 1.00 0.00 H new ATOM 0 HG2 LYS A 82 105.292 -4.061 6.132 1.00 0.00 H new ATOM 0 HG3 LYS A 82 105.085 -5.529 7.066 1.00 0.00 H new ATOM 0 HD2 LYS A 82 107.237 -5.509 7.830 1.00 0.00 H new ATOM 0 HD3 LYS A 82 107.892 -5.004 6.286 1.00 0.00 H new ATOM 0 HE2 LYS A 82 108.279 -3.206 7.830 1.00 0.00 H new ATOM 0 HE3 LYS A 82 107.015 -2.677 6.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 106.462 -2.144 9.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 105.360 -3.289 8.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 106.595 -3.773 9.474 1.00 0.00 H new ATOM 1325 N ALA A 83 108.635 -5.077 3.818 1.00 0.00 N ATOM 1326 CA ALA A 83 109.974 -4.527 3.940 1.00 0.00 C ATOM 1327 C ALA A 83 110.246 -3.560 2.796 1.00 0.00 C ATOM 1328 O ALA A 83 110.898 -2.531 2.971 1.00 0.00 O ATOM 1329 CB ALA A 83 111.010 -5.643 3.953 1.00 0.00 C ATOM 0 H ALA A 83 108.604 -6.059 3.544 1.00 0.00 H new ATOM 0 HA ALA A 83 110.046 -3.984 4.882 1.00 0.00 H new ATOM 0 HB1 ALA A 83 112.007 -5.213 4.045 1.00 0.00 H new ATOM 0 HB2 ALA A 83 110.821 -6.305 4.798 1.00 0.00 H new ATOM 0 HB3 ALA A 83 110.944 -6.211 3.025 1.00 0.00 H new ATOM 1335 N VAL A 84 109.724 -3.907 1.623 1.00 0.00 N ATOM 1336 CA VAL A 84 109.900 -3.094 0.429 1.00 0.00 C ATOM 1337 C VAL A 84 109.377 -1.683 0.639 1.00 0.00 C ATOM 1338 O VAL A 84 110.022 -0.706 0.261 1.00 0.00 O ATOM 1339 CB VAL A 84 109.165 -3.721 -0.769 1.00 0.00 C ATOM 1340 CG1 VAL A 84 108.153 -2.743 -1.345 1.00 0.00 C ATOM 1341 CG2 VAL A 84 110.159 -4.170 -1.829 1.00 0.00 C ATOM 0 H VAL A 84 109.172 -4.752 1.476 1.00 0.00 H new ATOM 0 HA VAL A 84 110.970 -3.052 0.224 1.00 0.00 H new ATOM 0 HB VAL A 84 108.623 -4.601 -0.423 1.00 0.00 H new ATOM 0 HG11 VAL A 84 107.643 -3.203 -2.191 1.00 0.00 H new ATOM 0 HG12 VAL A 84 107.423 -2.482 -0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 84 108.667 -1.841 -1.678 1.00 0.00 H new ATOM 0 HG21 VAL A 84 109.621 -4.611 -2.668 1.00 0.00 H new ATOM 0 HG22 VAL A 84 110.733 -3.311 -2.177 1.00 0.00 H new ATOM 0 HG23 VAL A 84 110.836 -4.910 -1.403 1.00 0.00 H new ATOM 1351 N LEU A 85 108.206 -1.587 1.244 1.00 0.00 N ATOM 1352 CA LEU A 85 107.592 -0.298 1.508 1.00 0.00 C ATOM 1353 C LEU A 85 108.367 0.471 2.571 1.00 0.00 C ATOM 1354 O LEU A 85 108.407 1.701 2.548 1.00 0.00 O ATOM 1355 CB LEU A 85 106.143 -0.482 1.963 1.00 0.00 C ATOM 1356 CG LEU A 85 105.202 -1.097 0.926 1.00 0.00 C ATOM 1357 CD1 LEU A 85 104.295 -2.127 1.582 1.00 0.00 C ATOM 1358 CD2 LEU A 85 104.379 -0.014 0.247 1.00 0.00 C ATOM 0 H LEU A 85 107.661 -2.388 1.562 1.00 0.00 H new ATOM 0 HA LEU A 85 107.610 0.276 0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 85 106.137 -1.112 2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 85 105.746 0.490 2.257 1.00 0.00 H new ATOM 0 HG LEU A 85 105.801 -1.599 0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 85 103.631 -2.557 0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 85 104.902 -2.917 2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 85 103.702 -1.646 2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 85 103.715 -0.469 -0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 85 103.786 0.515 0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 85 105.045 0.690 -0.252 1.00 0.00 H new ATOM 1370 N ARG A 86 108.974 -0.252 3.510 1.00 0.00 N ATOM 1371 CA ARG A 86 109.710 0.388 4.593 1.00 0.00 C ATOM 1372 C ARG A 86 110.795 1.304 4.053 1.00 0.00 C ATOM 1373 O ARG A 86 110.900 2.460 4.464 1.00 0.00 O ATOM 1374 CB ARG A 86 110.329 -0.668 5.510 1.00 0.00 C ATOM 1375 CG ARG A 86 111.220 -0.084 6.595 1.00 0.00 C ATOM 1376 CD ARG A 86 110.991 -0.770 7.932 1.00 0.00 C ATOM 1377 NE ARG A 86 110.693 -2.191 7.774 1.00 0.00 N ATOM 1378 CZ ARG A 86 110.419 -3.002 8.790 1.00 0.00 C ATOM 1379 NH1 ARG A 86 110.407 -2.534 10.031 1.00 0.00 N ATOM 1380 NH2 ARG A 86 110.157 -4.283 8.567 1.00 0.00 N ATOM 0 H ARG A 86 108.970 -1.272 3.542 1.00 0.00 H new ATOM 0 HA ARG A 86 109.006 0.992 5.165 1.00 0.00 H new ATOM 0 HB2 ARG A 86 109.531 -1.244 5.978 1.00 0.00 H new ATOM 0 HB3 ARG A 86 110.913 -1.364 4.907 1.00 0.00 H new ATOM 0 HG2 ARG A 86 112.265 -0.190 6.305 1.00 0.00 H new ATOM 0 HG3 ARG A 86 111.023 0.983 6.694 1.00 0.00 H new ATOM 0 HD2 ARG A 86 111.877 -0.653 8.556 1.00 0.00 H new ATOM 0 HD3 ARG A 86 110.167 -0.283 8.453 1.00 0.00 H new ATOM 0 HE ARG A 86 110.695 -2.582 6.832 1.00 0.00 H new ATOM 0 HH11 ARG A 86 110.608 -1.550 10.207 1.00 0.00 H new ATOM 0 HH12 ARG A 86 110.196 -3.158 10.810 1.00 0.00 H new ATOM 0 HH21 ARG A 86 110.166 -4.647 7.614 1.00 0.00 H new ATOM 0 HH22 ARG A 86 109.947 -4.904 9.348 1.00 0.00 H new ATOM 1394 N ILE A 87 111.584 0.804 3.117 1.00 0.00 N ATOM 1395 CA ILE A 87 112.633 1.614 2.528 1.00 0.00 C ATOM 1396 C ILE A 87 112.029 2.773 1.749 1.00 0.00 C ATOM 1397 O ILE A 87 112.571 3.879 1.733 1.00 0.00 O ATOM 1398 CB ILE A 87 113.535 0.786 1.592 1.00 0.00 C ATOM 1399 CG1 ILE A 87 112.791 0.427 0.305 1.00 0.00 C ATOM 1400 CG2 ILE A 87 114.020 -0.471 2.298 1.00 0.00 C ATOM 1401 CD1 ILE A 87 113.699 -0.067 -0.801 1.00 0.00 C ATOM 0 H ILE A 87 111.519 -0.147 2.753 1.00 0.00 H new ATOM 0 HA ILE A 87 113.246 1.996 3.345 1.00 0.00 H new ATOM 0 HB ILE A 87 114.403 1.390 1.327 1.00 0.00 H new ATOM 0 HG12 ILE A 87 112.050 -0.341 0.526 1.00 0.00 H new ATOM 0 HG13 ILE A 87 112.247 1.303 -0.047 1.00 0.00 H new ATOM 0 HG21 ILE A 87 114.656 -1.045 1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 87 114.589 -0.193 3.185 1.00 0.00 H new ATOM 0 HG23 ILE A 87 113.163 -1.077 2.592 1.00 0.00 H new ATOM 0 HD11 ILE A 87 113.103 -0.303 -1.683 1.00 0.00 H new ATOM 0 HD12 ILE A 87 114.424 0.708 -1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 87 114.224 -0.962 -0.468 1.00 0.00 H new ATOM 1413 N ALA A 88 110.886 2.514 1.118 1.00 0.00 N ATOM 1414 CA ALA A 88 110.200 3.532 0.340 1.00 0.00 C ATOM 1415 C ALA A 88 109.779 4.693 1.221 1.00 0.00 C ATOM 1416 O ALA A 88 109.716 5.838 0.773 1.00 0.00 O ATOM 1417 CB ALA A 88 108.993 2.935 -0.367 1.00 0.00 C ATOM 0 H ALA A 88 110.419 1.607 1.133 1.00 0.00 H new ATOM 0 HA ALA A 88 110.892 3.911 -0.412 1.00 0.00 H new ATOM 0 HB1 ALA A 88 108.490 3.710 -0.945 1.00 0.00 H new ATOM 0 HB2 ALA A 88 109.320 2.138 -1.035 1.00 0.00 H new ATOM 0 HB3 ALA A 88 108.303 2.528 0.372 1.00 0.00 H new ATOM 1423 N LEU A 89 109.498 4.393 2.482 1.00 0.00 N ATOM 1424 CA LEU A 89 109.080 5.417 3.420 1.00 0.00 C ATOM 1425 C LEU A 89 110.167 6.470 3.578 1.00 0.00 C ATOM 1426 O LEU A 89 109.888 7.670 3.585 1.00 0.00 O ATOM 1427 CB LEU A 89 108.754 4.788 4.776 1.00 0.00 C ATOM 1428 CG LEU A 89 108.092 3.410 4.708 1.00 0.00 C ATOM 1429 CD1 LEU A 89 107.635 2.968 6.089 1.00 0.00 C ATOM 1430 CD2 LEU A 89 106.919 3.431 3.738 1.00 0.00 C ATOM 0 H LEU A 89 109.553 3.453 2.874 1.00 0.00 H new ATOM 0 HA LEU A 89 108.184 5.900 3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 89 109.676 4.703 5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 89 108.097 5.463 5.324 1.00 0.00 H new ATOM 0 HG LEU A 89 108.827 2.692 4.345 1.00 0.00 H new ATOM 0 HD11 LEU A 89 107.167 1.986 6.020 1.00 0.00 H new ATOM 0 HD12 LEU A 89 108.495 2.914 6.757 1.00 0.00 H new ATOM 0 HD13 LEU A 89 106.915 3.686 6.481 1.00 0.00 H new ATOM 0 HD21 LEU A 89 106.459 2.443 3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 89 106.183 4.162 4.073 1.00 0.00 H new ATOM 0 HD23 LEU A 89 107.274 3.703 2.744 1.00 0.00 H new ATOM 1442 N TYR A 90 111.411 6.024 3.680 1.00 0.00 N ATOM 1443 CA TYR A 90 112.521 6.950 3.823 1.00 0.00 C ATOM 1444 C TYR A 90 112.728 7.728 2.533 1.00 0.00 C ATOM 1445 O TYR A 90 113.200 8.865 2.548 1.00 0.00 O ATOM 1446 CB TYR A 90 113.803 6.218 4.215 1.00 0.00 C ATOM 1447 CG TYR A 90 114.539 6.869 5.368 1.00 0.00 C ATOM 1448 CD1 TYR A 90 114.277 8.186 5.736 1.00 0.00 C ATOM 1449 CD2 TYR A 90 115.494 6.165 6.088 1.00 0.00 C ATOM 1450 CE1 TYR A 90 114.949 8.779 6.787 1.00 0.00 C ATOM 1451 CE2 TYR A 90 116.169 6.752 7.143 1.00 0.00 C ATOM 1452 CZ TYR A 90 115.893 8.057 7.487 1.00 0.00 C ATOM 1453 OH TYR A 90 116.563 8.645 8.536 1.00 0.00 O ATOM 0 H TYR A 90 111.674 5.038 3.667 1.00 0.00 H new ATOM 0 HA TYR A 90 112.276 7.650 4.622 1.00 0.00 H new ATOM 0 HB2 TYR A 90 113.558 5.190 4.484 1.00 0.00 H new ATOM 0 HB3 TYR A 90 114.465 6.172 3.350 1.00 0.00 H new ATOM 0 HD1 TYR A 90 113.537 8.753 5.191 1.00 0.00 H new ATOM 0 HD2 TYR A 90 115.714 5.142 5.820 1.00 0.00 H new ATOM 0 HE1 TYR A 90 114.736 9.802 7.059 1.00 0.00 H new ATOM 0 HE2 TYR A 90 116.909 6.190 7.694 1.00 0.00 H new ATOM 0 HH TYR A 90 117.193 8.002 8.924 1.00 0.00 H new ATOM 1463 N GLU A 91 112.369 7.105 1.418 1.00 0.00 N ATOM 1464 CA GLU A 91 112.511 7.737 0.116 1.00 0.00 C ATOM 1465 C GLU A 91 111.825 9.097 0.105 1.00 0.00 C ATOM 1466 O GLU A 91 112.298 10.036 -0.538 1.00 0.00 O ATOM 1467 CB GLU A 91 111.919 6.844 -0.977 1.00 0.00 C ATOM 1468 CG GLU A 91 112.938 6.393 -2.011 1.00 0.00 C ATOM 1469 CD GLU A 91 112.766 4.939 -2.403 1.00 0.00 C ATOM 1470 OE1 GLU A 91 113.346 4.068 -1.721 1.00 0.00 O ATOM 1471 OE2 GLU A 91 112.052 4.670 -3.392 1.00 0.00 O ATOM 0 H GLU A 91 111.978 6.163 1.391 1.00 0.00 H new ATOM 0 HA GLU A 91 113.573 7.879 -0.082 1.00 0.00 H new ATOM 0 HB2 GLU A 91 111.470 5.965 -0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 91 111.117 7.383 -1.481 1.00 0.00 H new ATOM 0 HG2 GLU A 91 112.849 7.018 -2.900 1.00 0.00 H new ATOM 0 HG3 GLU A 91 113.942 6.542 -1.615 1.00 0.00 H new ATOM 1478 N LEU A 92 110.709 9.199 0.819 1.00 0.00 N ATOM 1479 CA LEU A 92 109.963 10.448 0.888 1.00 0.00 C ATOM 1480 C LEU A 92 110.727 11.499 1.688 1.00 0.00 C ATOM 1481 O LEU A 92 110.695 12.686 1.363 1.00 0.00 O ATOM 1482 CB LEU A 92 108.587 10.204 1.506 1.00 0.00 C ATOM 1483 CG LEU A 92 107.818 9.026 0.908 1.00 0.00 C ATOM 1484 CD1 LEU A 92 107.272 8.130 2.008 1.00 0.00 C ATOM 1485 CD2 LEU A 92 106.694 9.525 0.014 1.00 0.00 C ATOM 0 H LEU A 92 110.303 8.433 1.357 1.00 0.00 H new ATOM 0 HA LEU A 92 109.834 10.826 -0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 92 108.709 10.035 2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 92 107.987 11.107 1.392 1.00 0.00 H new ATOM 0 HG LEU A 92 108.505 8.438 0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 92 106.728 7.297 1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 92 108.097 7.745 2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 92 106.599 8.704 2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 92 106.156 8.674 -0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 92 106.007 10.136 0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 92 107.112 10.123 -0.796 1.00 0.00 H new ATOM 1497 N SER A 93 111.408 11.055 2.740 1.00 0.00 N ATOM 1498 CA SER A 93 112.177 11.957 3.592 1.00 0.00 C ATOM 1499 C SER A 93 113.477 12.380 2.916 1.00 0.00 C ATOM 1500 O SER A 93 113.822 13.561 2.896 1.00 0.00 O ATOM 1501 CB SER A 93 112.482 11.286 4.932 1.00 0.00 C ATOM 1502 OG SER A 93 113.872 11.054 5.081 1.00 0.00 O ATOM 0 H SER A 93 111.443 10.076 3.023 1.00 0.00 H new ATOM 0 HA SER A 93 111.576 12.850 3.765 1.00 0.00 H new ATOM 0 HB2 SER A 93 112.126 11.916 5.747 1.00 0.00 H new ATOM 0 HB3 SER A 93 111.943 10.341 5.000 1.00 0.00 H new ATOM 0 HG SER A 93 114.014 10.291 5.679 1.00 0.00 H new ATOM 1508 N LYS A 94 114.197 11.407 2.368 1.00 0.00 N ATOM 1509 CA LYS A 94 115.462 11.679 1.698 1.00 0.00 C ATOM 1510 C LYS A 94 115.239 12.027 0.230 1.00 0.00 C ATOM 1511 O LYS A 94 115.450 13.167 -0.185 1.00 0.00 O ATOM 1512 CB LYS A 94 116.392 10.470 1.811 1.00 0.00 C ATOM 1513 CG LYS A 94 116.707 10.078 3.245 1.00 0.00 C ATOM 1514 CD LYS A 94 116.573 11.263 4.188 1.00 0.00 C ATOM 1515 CE LYS A 94 116.693 10.835 5.641 1.00 0.00 C ATOM 1516 NZ LYS A 94 117.855 11.478 6.316 1.00 0.00 N ATOM 0 H LYS A 94 113.926 10.424 2.375 1.00 0.00 H new ATOM 0 HA LYS A 94 115.926 12.535 2.188 1.00 0.00 H new ATOM 0 HB2 LYS A 94 115.934 9.621 1.303 1.00 0.00 H new ATOM 0 HB3 LYS A 94 117.324 10.689 1.290 1.00 0.00 H new ATOM 0 HG2 LYS A 94 116.034 9.281 3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 94 117.720 9.680 3.300 1.00 0.00 H new ATOM 0 HD2 LYS A 94 117.343 12.000 3.960 1.00 0.00 H new ATOM 0 HD3 LYS A 94 115.610 11.749 4.029 1.00 0.00 H new ATOM 0 HE2 LYS A 94 115.777 11.093 6.172 1.00 0.00 H new ATOM 0 HE3 LYS A 94 116.797 9.751 5.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 117.902 11.160 7.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 118.732 11.212 5.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 117.743 12.512 6.290 1.00 0.00 H new ATOM 1530 N ARG A 95 114.814 11.038 -0.550 1.00 0.00 N ATOM 1531 CA ARG A 95 114.564 11.237 -1.972 1.00 0.00 C ATOM 1532 C ARG A 95 115.652 12.105 -2.600 1.00 0.00 C ATOM 1533 O ARG A 95 116.684 12.366 -1.984 1.00 0.00 O ATOM 1534 CB ARG A 95 113.189 11.878 -2.194 1.00 0.00 C ATOM 1535 CG ARG A 95 112.618 12.560 -0.960 1.00 0.00 C ATOM 1536 CD ARG A 95 113.107 13.994 -0.838 1.00 0.00 C ATOM 1537 NE ARG A 95 112.102 14.956 -1.282 1.00 0.00 N ATOM 1538 CZ ARG A 95 112.364 16.236 -1.523 1.00 0.00 C ATOM 1539 NH1 ARG A 95 113.594 16.705 -1.365 1.00 0.00 N ATOM 1540 NH2 ARG A 95 111.396 17.048 -1.925 1.00 0.00 N ATOM 0 H ARG A 95 114.636 10.090 -0.220 1.00 0.00 H new ATOM 0 HA ARG A 95 114.579 10.260 -2.454 1.00 0.00 H new ATOM 0 HB2 ARG A 95 113.266 12.610 -2.998 1.00 0.00 H new ATOM 0 HB3 ARG A 95 112.491 11.110 -2.528 1.00 0.00 H new ATOM 0 HG2 ARG A 95 111.529 12.549 -1.008 1.00 0.00 H new ATOM 0 HG3 ARG A 95 112.903 12.000 -0.069 1.00 0.00 H new ATOM 0 HD2 ARG A 95 113.372 14.199 0.199 1.00 0.00 H new ATOM 0 HD3 ARG A 95 114.014 14.119 -1.429 1.00 0.00 H new ATOM 0 HE ARG A 95 111.146 14.627 -1.414 1.00 0.00 H new ATOM 0 HH11 ARG A 95 114.342 16.083 -1.058 1.00 0.00 H new ATOM 0 HH12 ARG A 95 113.793 17.688 -1.551 1.00 0.00 H new ATOM 0 HH21 ARG A 95 110.449 16.690 -2.050 1.00 0.00 H new ATOM 0 HH22 ARG A 95 111.598 18.031 -2.110 1.00 0.00 H new ATOM 1554 N SER A 96 115.413 12.546 -3.831 1.00 0.00 N ATOM 1555 CA SER A 96 116.372 13.384 -4.543 1.00 0.00 C ATOM 1556 C SER A 96 115.653 14.443 -5.370 1.00 0.00 C ATOM 1557 O SER A 96 115.593 15.612 -4.987 1.00 0.00 O ATOM 1558 CB SER A 96 117.259 12.526 -5.448 1.00 0.00 C ATOM 1559 OG SER A 96 116.673 11.258 -5.682 1.00 0.00 O ATOM 0 H SER A 96 114.564 12.337 -4.356 1.00 0.00 H new ATOM 0 HA SER A 96 116.999 13.886 -3.806 1.00 0.00 H new ATOM 0 HB2 SER A 96 117.418 13.037 -6.397 1.00 0.00 H new ATOM 0 HB3 SER A 96 118.238 12.398 -4.987 1.00 0.00 H new ATOM 0 HG SER A 96 117.258 10.730 -6.264 1.00 0.00 H new ATOM 1565 N ASP A 97 115.104 14.025 -6.506 1.00 0.00 N ATOM 1566 CA ASP A 97 114.383 14.935 -7.388 1.00 0.00 C ATOM 1567 C ASP A 97 112.908 14.557 -7.461 1.00 0.00 C ATOM 1568 O ASP A 97 112.221 14.873 -8.433 1.00 0.00 O ATOM 1569 CB ASP A 97 114.997 14.918 -8.788 1.00 0.00 C ATOM 1570 CG ASP A 97 116.350 15.602 -8.835 1.00 0.00 C ATOM 1571 OD1 ASP A 97 117.287 15.110 -8.171 1.00 0.00 O ATOM 1572 OD2 ASP A 97 116.472 16.629 -9.535 1.00 0.00 O ATOM 0 H ASP A 97 115.145 13.061 -6.837 1.00 0.00 H new ATOM 0 HA ASP A 97 114.464 15.942 -6.979 1.00 0.00 H new ATOM 0 HB2 ASP A 97 115.103 13.886 -9.123 1.00 0.00 H new ATOM 0 HB3 ASP A 97 114.319 15.411 -9.485 1.00 0.00 H new ATOM 1577 N VAL A 98 112.429 13.873 -6.427 1.00 0.00 N ATOM 1578 CA VAL A 98 111.037 13.444 -6.370 1.00 0.00 C ATOM 1579 C VAL A 98 110.277 14.183 -5.272 1.00 0.00 C ATOM 1580 O VAL A 98 110.803 14.410 -4.184 1.00 0.00 O ATOM 1581 CB VAL A 98 110.929 11.929 -6.120 1.00 0.00 C ATOM 1582 CG1 VAL A 98 109.698 11.611 -5.286 1.00 0.00 C ATOM 1583 CG2 VAL A 98 110.901 11.171 -7.440 1.00 0.00 C ATOM 0 H VAL A 98 112.986 13.604 -5.616 1.00 0.00 H new ATOM 0 HA VAL A 98 110.593 13.680 -7.337 1.00 0.00 H new ATOM 0 HB VAL A 98 111.808 11.607 -5.562 1.00 0.00 H new ATOM 0 HG11 VAL A 98 109.639 10.535 -5.120 1.00 0.00 H new ATOM 0 HG12 VAL A 98 109.767 12.123 -4.326 1.00 0.00 H new ATOM 0 HG13 VAL A 98 108.805 11.946 -5.813 1.00 0.00 H new ATOM 0 HG21 VAL A 98 110.824 10.102 -7.244 1.00 0.00 H new ATOM 0 HG22 VAL A 98 110.042 11.495 -8.027 1.00 0.00 H new ATOM 0 HG23 VAL A 98 111.817 11.373 -7.995 1.00 0.00 H new ATOM 1593 N PRO A 99 109.022 14.565 -5.551 1.00 0.00 N ATOM 1594 CA PRO A 99 108.180 15.282 -4.587 1.00 0.00 C ATOM 1595 C PRO A 99 107.824 14.422 -3.378 1.00 0.00 C ATOM 1596 O PRO A 99 108.516 14.452 -2.360 1.00 0.00 O ATOM 1597 CB PRO A 99 106.924 15.627 -5.393 1.00 0.00 C ATOM 1598 CG PRO A 99 106.893 14.636 -6.506 1.00 0.00 C ATOM 1599 CD PRO A 99 108.329 14.328 -6.828 1.00 0.00 C ATOM 0 HA PRO A 99 108.686 16.155 -4.174 1.00 0.00 H new ATOM 0 HB2 PRO A 99 106.028 15.556 -4.776 1.00 0.00 H new ATOM 0 HB3 PRO A 99 106.968 16.647 -5.774 1.00 0.00 H new ATOM 0 HG2 PRO A 99 106.358 13.734 -6.210 1.00 0.00 H new ATOM 0 HG3 PRO A 99 106.377 15.042 -7.376 1.00 0.00 H new ATOM 0 HD2 PRO A 99 108.453 13.300 -7.168 1.00 0.00 H new ATOM 0 HD3 PRO A 99 108.711 14.974 -7.619 1.00 0.00 H new ATOM 1607 N TYR A 100 106.743 13.655 -3.495 1.00 0.00 N ATOM 1608 CA TYR A 100 106.302 12.787 -2.409 1.00 0.00 C ATOM 1609 C TYR A 100 105.273 11.775 -2.903 1.00 0.00 C ATOM 1610 O TYR A 100 105.438 10.568 -2.720 1.00 0.00 O ATOM 1611 CB TYR A 100 105.712 13.619 -1.266 1.00 0.00 C ATOM 1612 CG TYR A 100 104.231 13.892 -1.412 1.00 0.00 C ATOM 1613 CD1 TYR A 100 103.291 12.927 -1.077 1.00 0.00 C ATOM 1614 CD2 TYR A 100 103.775 15.114 -1.889 1.00 0.00 C ATOM 1615 CE1 TYR A 100 101.938 13.169 -1.212 1.00 0.00 C ATOM 1616 CE2 TYR A 100 102.423 15.365 -2.028 1.00 0.00 C ATOM 1617 CZ TYR A 100 101.508 14.389 -1.689 1.00 0.00 C ATOM 1618 OH TYR A 100 100.161 14.635 -1.826 1.00 0.00 O ATOM 0 H TYR A 100 106.158 13.618 -4.330 1.00 0.00 H new ATOM 0 HA TYR A 100 107.171 12.242 -2.039 1.00 0.00 H new ATOM 0 HB2 TYR A 100 105.885 13.099 -0.324 1.00 0.00 H new ATOM 0 HB3 TYR A 100 106.243 14.569 -1.208 1.00 0.00 H new ATOM 0 HD1 TYR A 100 103.624 11.970 -0.704 1.00 0.00 H new ATOM 0 HD2 TYR A 100 104.488 15.880 -2.155 1.00 0.00 H new ATOM 0 HE1 TYR A 100 101.221 12.407 -0.945 1.00 0.00 H new ATOM 0 HE2 TYR A 100 102.084 16.321 -2.400 1.00 0.00 H new ATOM 0 HH TYR A 100 100.028 15.542 -2.173 1.00 0.00 H new ATOM 1628 N LYS A 101 104.213 12.272 -3.532 1.00 0.00 N ATOM 1629 CA LYS A 101 103.159 11.410 -4.050 1.00 0.00 C ATOM 1630 C LYS A 101 103.690 10.499 -5.151 1.00 0.00 C ATOM 1631 O LYS A 101 103.176 9.404 -5.364 1.00 0.00 O ATOM 1632 CB LYS A 101 101.998 12.251 -4.583 1.00 0.00 C ATOM 1633 CG LYS A 101 102.375 13.128 -5.765 1.00 0.00 C ATOM 1634 CD LYS A 101 101.647 12.700 -7.029 1.00 0.00 C ATOM 1635 CE LYS A 101 100.227 13.242 -7.064 1.00 0.00 C ATOM 1636 NZ LYS A 101 100.182 14.650 -7.547 1.00 0.00 N ATOM 0 H LYS A 101 104.062 13.268 -3.695 1.00 0.00 H new ATOM 0 HA LYS A 101 102.801 10.787 -3.231 1.00 0.00 H new ATOM 0 HB2 LYS A 101 101.185 11.587 -4.878 1.00 0.00 H new ATOM 0 HB3 LYS A 101 101.618 12.882 -3.779 1.00 0.00 H new ATOM 0 HG2 LYS A 101 102.135 14.167 -5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 101 103.451 13.077 -5.929 1.00 0.00 H new ATOM 0 HD2 LYS A 101 102.194 13.054 -7.903 1.00 0.00 H new ATOM 0 HD3 LYS A 101 101.624 11.612 -7.086 1.00 0.00 H new ATOM 0 HE2 LYS A 101 99.615 12.616 -7.713 1.00 0.00 H new ATOM 0 HE3 LYS A 101 99.792 13.186 -6.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 99.197 14.983 -7.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 100.745 15.253 -6.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 100.573 14.700 -8.509 1.00 0.00 H new ATOM 1650 N VAL A 102 104.722 10.958 -5.848 1.00 0.00 N ATOM 1651 CA VAL A 102 105.320 10.179 -6.925 1.00 0.00 C ATOM 1652 C VAL A 102 105.847 8.845 -6.407 1.00 0.00 C ATOM 1653 O VAL A 102 105.799 7.833 -7.106 1.00 0.00 O ATOM 1654 CB VAL A 102 106.470 10.944 -7.605 1.00 0.00 C ATOM 1655 CG1 VAL A 102 107.812 10.497 -7.047 1.00 0.00 C ATOM 1656 CG2 VAL A 102 106.421 10.750 -9.113 1.00 0.00 C ATOM 0 H VAL A 102 105.162 11.864 -5.687 1.00 0.00 H new ATOM 0 HA VAL A 102 104.534 9.999 -7.659 1.00 0.00 H new ATOM 0 HB VAL A 102 106.350 12.007 -7.394 1.00 0.00 H new ATOM 0 HG11 VAL A 102 108.613 11.049 -7.540 1.00 0.00 H new ATOM 0 HG12 VAL A 102 107.843 10.692 -5.975 1.00 0.00 H new ATOM 0 HG13 VAL A 102 107.943 9.430 -7.226 1.00 0.00 H new ATOM 0 HG21 VAL A 102 107.241 11.298 -9.577 1.00 0.00 H new ATOM 0 HG22 VAL A 102 106.515 9.689 -9.347 1.00 0.00 H new ATOM 0 HG23 VAL A 102 105.472 11.124 -9.497 1.00 0.00 H new ATOM 1666 N ALA A 103 106.348 8.851 -5.175 1.00 0.00 N ATOM 1667 CA ALA A 103 106.881 7.641 -4.562 1.00 0.00 C ATOM 1668 C ALA A 103 105.822 6.548 -4.500 1.00 0.00 C ATOM 1669 O ALA A 103 106.144 5.361 -4.451 1.00 0.00 O ATOM 1670 CB ALA A 103 107.410 7.945 -3.169 1.00 0.00 C ATOM 0 H ALA A 103 106.396 9.680 -4.583 1.00 0.00 H new ATOM 0 HA ALA A 103 107.703 7.281 -5.180 1.00 0.00 H new ATOM 0 HB1 ALA A 103 107.805 7.032 -2.723 1.00 0.00 H new ATOM 0 HB2 ALA A 103 108.203 8.689 -3.236 1.00 0.00 H new ATOM 0 HB3 ALA A 103 106.601 8.331 -2.549 1.00 0.00 H new ATOM 1676 N ILE A 104 104.557 6.957 -4.507 1.00 0.00 N ATOM 1677 CA ILE A 104 103.446 6.013 -4.451 1.00 0.00 C ATOM 1678 C ILE A 104 103.505 5.040 -5.617 1.00 0.00 C ATOM 1679 O ILE A 104 103.193 3.858 -5.474 1.00 0.00 O ATOM 1680 CB ILE A 104 102.084 6.740 -4.474 1.00 0.00 C ATOM 1681 CG1 ILE A 104 101.694 7.212 -3.071 1.00 0.00 C ATOM 1682 CG2 ILE A 104 101.009 5.831 -5.048 1.00 0.00 C ATOM 1683 CD1 ILE A 104 102.746 8.069 -2.400 1.00 0.00 C ATOM 0 H ILE A 104 104.276 7.936 -4.551 1.00 0.00 H new ATOM 0 HA ILE A 104 103.540 5.467 -3.512 1.00 0.00 H new ATOM 0 HB ILE A 104 102.176 7.618 -5.113 1.00 0.00 H new ATOM 0 HG12 ILE A 104 100.764 7.777 -3.133 1.00 0.00 H new ATOM 0 HG13 ILE A 104 101.496 6.341 -2.447 1.00 0.00 H new ATOM 0 HG21 ILE A 104 100.055 6.357 -5.058 1.00 0.00 H new ATOM 0 HG22 ILE A 104 101.278 5.548 -6.066 1.00 0.00 H new ATOM 0 HG23 ILE A 104 100.923 4.935 -4.433 1.00 0.00 H new ATOM 0 HD11 ILE A 104 102.398 8.365 -1.410 1.00 0.00 H new ATOM 0 HD12 ILE A 104 103.671 7.501 -2.304 1.00 0.00 H new ATOM 0 HD13 ILE A 104 102.928 8.960 -3.002 1.00 0.00 H new ATOM 1695 N ASN A 105 103.913 5.549 -6.770 1.00 0.00 N ATOM 1696 CA ASN A 105 104.021 4.730 -7.971 1.00 0.00 C ATOM 1697 C ASN A 105 104.974 3.560 -7.745 1.00 0.00 C ATOM 1698 O ASN A 105 104.829 2.501 -8.354 1.00 0.00 O ATOM 1699 CB ASN A 105 104.506 5.580 -9.147 1.00 0.00 C ATOM 1700 CG ASN A 105 104.330 4.878 -10.479 1.00 0.00 C ATOM 1701 OD1 ASN A 105 103.473 4.007 -10.626 1.00 0.00 O ATOM 1702 ND2 ASN A 105 105.143 5.256 -11.459 1.00 0.00 N ATOM 0 H ASN A 105 104.175 6.526 -6.901 1.00 0.00 H new ATOM 0 HA ASN A 105 103.033 4.331 -8.203 1.00 0.00 H new ATOM 0 HB2 ASN A 105 103.958 6.522 -9.161 1.00 0.00 H new ATOM 0 HB3 ASN A 105 105.559 5.825 -9.005 1.00 0.00 H new ATOM 0 HD21 ASN A 105 105.071 4.820 -12.378 1.00 0.00 H new ATOM 0 HD22 ASN A 105 105.839 5.983 -11.292 1.00 0.00 H new ATOM 1709 N GLU A 106 105.952 3.764 -6.869 1.00 0.00 N ATOM 1710 CA GLU A 106 106.936 2.731 -6.563 1.00 0.00 C ATOM 1711 C GLU A 106 106.319 1.593 -5.752 1.00 0.00 C ATOM 1712 O GLU A 106 106.658 0.425 -5.952 1.00 0.00 O ATOM 1713 CB GLU A 106 108.114 3.335 -5.796 1.00 0.00 C ATOM 1714 CG GLU A 106 109.220 3.860 -6.696 1.00 0.00 C ATOM 1715 CD GLU A 106 110.601 3.653 -6.105 1.00 0.00 C ATOM 1716 OE1 GLU A 106 110.922 2.503 -5.737 1.00 0.00 O ATOM 1717 OE2 GLU A 106 111.361 4.639 -6.011 1.00 0.00 O ATOM 0 H GLU A 106 106.085 4.636 -6.358 1.00 0.00 H new ATOM 0 HA GLU A 106 107.290 2.320 -7.508 1.00 0.00 H new ATOM 0 HB2 GLU A 106 107.750 4.149 -5.169 1.00 0.00 H new ATOM 0 HB3 GLU A 106 108.528 2.579 -5.128 1.00 0.00 H new ATOM 0 HG2 GLU A 106 109.164 3.360 -7.663 1.00 0.00 H new ATOM 0 HG3 GLU A 106 109.062 4.923 -6.877 1.00 0.00 H new ATOM 1724 N ALA A 107 105.408 1.933 -4.844 1.00 0.00 N ATOM 1725 CA ALA A 107 104.750 0.933 -4.017 1.00 0.00 C ATOM 1726 C ALA A 107 104.444 -0.308 -4.837 1.00 0.00 C ATOM 1727 O ALA A 107 105.069 -1.355 -4.665 1.00 0.00 O ATOM 1728 CB ALA A 107 103.473 1.502 -3.421 1.00 0.00 C ATOM 0 H ALA A 107 105.111 2.892 -4.665 1.00 0.00 H new ATOM 0 HA ALA A 107 105.420 0.655 -3.203 1.00 0.00 H new ATOM 0 HB1 ALA A 107 102.990 0.744 -2.804 1.00 0.00 H new ATOM 0 HB2 ALA A 107 103.713 2.370 -2.807 1.00 0.00 H new ATOM 0 HB3 ALA A 107 102.799 1.801 -4.223 1.00 0.00 H new ATOM 1734 N ILE A 108 103.475 -0.176 -5.734 1.00 0.00 N ATOM 1735 CA ILE A 108 103.071 -1.278 -6.589 1.00 0.00 C ATOM 1736 C ILE A 108 104.273 -1.978 -7.209 1.00 0.00 C ATOM 1737 O ILE A 108 104.325 -3.207 -7.267 1.00 0.00 O ATOM 1738 CB ILE A 108 102.134 -0.806 -7.716 1.00 0.00 C ATOM 1739 CG1 ILE A 108 101.048 0.110 -7.154 1.00 0.00 C ATOM 1740 CG2 ILE A 108 101.514 -2.001 -8.425 1.00 0.00 C ATOM 1741 CD1 ILE A 108 99.956 0.434 -8.150 1.00 0.00 C ATOM 0 H ILE A 108 102.954 0.688 -5.886 1.00 0.00 H new ATOM 0 HA ILE A 108 102.538 -1.982 -5.950 1.00 0.00 H new ATOM 0 HB ILE A 108 102.718 -0.242 -8.443 1.00 0.00 H new ATOM 0 HG12 ILE A 108 100.602 -0.363 -6.279 1.00 0.00 H new ATOM 0 HG13 ILE A 108 101.507 1.039 -6.815 1.00 0.00 H new ATOM 0 HG21 ILE A 108 100.854 -1.651 -9.219 1.00 0.00 H new ATOM 0 HG22 ILE A 108 102.303 -2.619 -8.855 1.00 0.00 H new ATOM 0 HG23 ILE A 108 100.940 -2.591 -7.710 1.00 0.00 H new ATOM 0 HD11 ILE A 108 99.220 1.088 -7.683 1.00 0.00 H new ATOM 0 HD12 ILE A 108 100.390 0.936 -9.015 1.00 0.00 H new ATOM 0 HD13 ILE A 108 99.471 -0.488 -8.471 1.00 0.00 H new ATOM 1753 N GLU A 109 105.234 -1.193 -7.677 1.00 0.00 N ATOM 1754 CA GLU A 109 106.431 -1.743 -8.298 1.00 0.00 C ATOM 1755 C GLU A 109 107.149 -2.693 -7.346 1.00 0.00 C ATOM 1756 O GLU A 109 107.479 -3.822 -7.707 1.00 0.00 O ATOM 1757 CB GLU A 109 107.377 -0.617 -8.721 1.00 0.00 C ATOM 1758 CG GLU A 109 107.104 -0.088 -10.120 1.00 0.00 C ATOM 1759 CD GLU A 109 107.616 1.325 -10.318 1.00 0.00 C ATOM 1760 OE1 GLU A 109 108.821 1.485 -10.607 1.00 0.00 O ATOM 1761 OE2 GLU A 109 106.813 2.272 -10.183 1.00 0.00 O ATOM 0 H GLU A 109 105.208 -0.174 -7.638 1.00 0.00 H new ATOM 0 HA GLU A 109 106.126 -2.303 -9.182 1.00 0.00 H new ATOM 0 HB2 GLU A 109 107.294 0.204 -8.008 1.00 0.00 H new ATOM 0 HB3 GLU A 109 108.404 -0.979 -8.672 1.00 0.00 H new ATOM 0 HG2 GLU A 109 107.573 -0.746 -10.851 1.00 0.00 H new ATOM 0 HG3 GLU A 109 106.031 -0.112 -10.311 1.00 0.00 H new ATOM 1768 N LEU A 110 107.380 -2.226 -6.124 1.00 0.00 N ATOM 1769 CA LEU A 110 108.057 -3.028 -5.113 1.00 0.00 C ATOM 1770 C LEU A 110 107.105 -4.048 -4.494 1.00 0.00 C ATOM 1771 O LEU A 110 107.469 -4.767 -3.563 1.00 0.00 O ATOM 1772 CB LEU A 110 108.634 -2.117 -4.030 1.00 0.00 C ATOM 1773 CG LEU A 110 109.436 -0.923 -4.550 1.00 0.00 C ATOM 1774 CD1 LEU A 110 110.393 -0.418 -3.482 1.00 0.00 C ATOM 1775 CD2 LEU A 110 110.195 -1.303 -5.812 1.00 0.00 C ATOM 0 H LEU A 110 107.108 -1.295 -5.810 1.00 0.00 H new ATOM 0 HA LEU A 110 108.869 -3.574 -5.593 1.00 0.00 H new ATOM 0 HB2 LEU A 110 107.815 -1.745 -3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 110 109.276 -2.712 -3.380 1.00 0.00 H new ATOM 0 HG LEU A 110 108.741 -0.120 -4.795 1.00 0.00 H new ATOM 0 HD11 LEU A 110 110.955 0.432 -3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 110 109.827 -0.108 -2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 110 111.084 -1.215 -3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 110 110.761 -0.443 -6.169 1.00 0.00 H new ATOM 0 HD22 LEU A 110 110.880 -2.122 -5.592 1.00 0.00 H new ATOM 0 HD23 LEU A 110 109.489 -1.618 -6.580 1.00 0.00 H new ATOM 1787 N ALA A 111 105.887 -4.113 -5.021 1.00 0.00 N ATOM 1788 CA ALA A 111 104.891 -5.050 -4.526 1.00 0.00 C ATOM 1789 C ALA A 111 104.410 -5.974 -5.641 1.00 0.00 C ATOM 1790 O ALA A 111 103.520 -6.797 -5.435 1.00 0.00 O ATOM 1791 CB ALA A 111 103.718 -4.299 -3.916 1.00 0.00 C ATOM 0 H ALA A 111 105.568 -3.526 -5.792 1.00 0.00 H new ATOM 0 HA ALA A 111 105.354 -5.664 -3.754 1.00 0.00 H new ATOM 0 HB1 ALA A 111 102.980 -5.013 -3.550 1.00 0.00 H new ATOM 0 HB2 ALA A 111 104.071 -3.684 -3.088 1.00 0.00 H new ATOM 0 HB3 ALA A 111 103.261 -3.661 -4.673 1.00 0.00 H new ATOM 1797 N LYS A 112 105.007 -5.832 -6.823 1.00 0.00 N ATOM 1798 CA LYS A 112 104.638 -6.657 -7.966 1.00 0.00 C ATOM 1799 C LYS A 112 105.798 -7.553 -8.385 1.00 0.00 C ATOM 1800 O LYS A 112 105.593 -8.658 -8.889 1.00 0.00 O ATOM 1801 CB LYS A 112 104.210 -5.777 -9.142 1.00 0.00 C ATOM 1802 CG LYS A 112 102.718 -5.834 -9.432 1.00 0.00 C ATOM 1803 CD LYS A 112 102.325 -4.845 -10.519 1.00 0.00 C ATOM 1804 CE LYS A 112 103.432 -4.673 -11.544 1.00 0.00 C ATOM 1805 NZ LYS A 112 103.865 -5.978 -12.119 1.00 0.00 N ATOM 0 H LYS A 112 105.746 -5.155 -7.012 1.00 0.00 H new ATOM 0 HA LYS A 112 103.800 -7.289 -7.670 1.00 0.00 H new ATOM 0 HB2 LYS A 112 104.492 -4.745 -8.935 1.00 0.00 H new ATOM 0 HB3 LYS A 112 104.757 -6.084 -10.033 1.00 0.00 H new ATOM 0 HG2 LYS A 112 102.444 -6.843 -9.740 1.00 0.00 H new ATOM 0 HG3 LYS A 112 102.160 -5.616 -8.521 1.00 0.00 H new ATOM 0 HD2 LYS A 112 101.419 -5.191 -11.016 1.00 0.00 H new ATOM 0 HD3 LYS A 112 102.093 -3.880 -10.068 1.00 0.00 H new ATOM 0 HE2 LYS A 112 103.086 -4.020 -12.345 1.00 0.00 H new ATOM 0 HE3 LYS A 112 104.285 -4.181 -11.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 104.861 -6.151 -11.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 103.276 -6.741 -11.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 103.761 -5.953 -13.153 1.00 0.00 H new ATOM 1819 N SER A 113 107.016 -7.067 -8.175 1.00 0.00 N ATOM 1820 CA SER A 113 108.212 -7.821 -8.530 1.00 0.00 C ATOM 1821 C SER A 113 109.060 -8.111 -7.295 1.00 0.00 C ATOM 1822 O SER A 113 109.848 -9.057 -7.279 1.00 0.00 O ATOM 1823 CB SER A 113 109.040 -7.045 -9.557 1.00 0.00 C ATOM 1824 OG SER A 113 109.843 -7.919 -10.331 1.00 0.00 O ATOM 0 H SER A 113 107.201 -6.154 -7.760 1.00 0.00 H new ATOM 0 HA SER A 113 107.898 -8.770 -8.964 1.00 0.00 H new ATOM 0 HB2 SER A 113 108.376 -6.480 -10.212 1.00 0.00 H new ATOM 0 HB3 SER A 113 109.674 -6.321 -9.045 1.00 0.00 H new ATOM 0 HG SER A 113 110.361 -7.399 -10.980 1.00 0.00 H new ATOM 1830 N PHE A 114 108.895 -7.289 -6.265 1.00 0.00 N ATOM 1831 CA PHE A 114 109.647 -7.454 -5.027 1.00 0.00 C ATOM 1832 C PHE A 114 108.816 -8.170 -3.967 1.00 0.00 C ATOM 1833 O PHE A 114 109.302 -8.455 -2.873 1.00 0.00 O ATOM 1834 CB PHE A 114 110.100 -6.090 -4.502 1.00 0.00 C ATOM 1835 CG PHE A 114 111.131 -5.427 -5.369 1.00 0.00 C ATOM 1836 CD1 PHE A 114 110.759 -4.775 -6.533 1.00 0.00 C ATOM 1837 CD2 PHE A 114 112.472 -5.456 -5.020 1.00 0.00 C ATOM 1838 CE1 PHE A 114 111.705 -4.164 -7.334 1.00 0.00 C ATOM 1839 CE2 PHE A 114 113.422 -4.847 -5.816 1.00 0.00 C ATOM 1840 CZ PHE A 114 113.038 -4.200 -6.975 1.00 0.00 C ATOM 0 H PHE A 114 108.247 -6.501 -6.263 1.00 0.00 H new ATOM 0 HA PHE A 114 110.522 -8.067 -5.243 1.00 0.00 H new ATOM 0 HB2 PHE A 114 109.232 -5.436 -4.418 1.00 0.00 H new ATOM 0 HB3 PHE A 114 110.506 -6.212 -3.498 1.00 0.00 H new ATOM 0 HD1 PHE A 114 109.718 -4.744 -6.818 1.00 0.00 H new ATOM 0 HD2 PHE A 114 112.777 -5.961 -4.115 1.00 0.00 H new ATOM 0 HE1 PHE A 114 111.402 -3.659 -8.239 1.00 0.00 H new ATOM 0 HE2 PHE A 114 114.464 -4.876 -5.533 1.00 0.00 H new ATOM 0 HZ PHE A 114 113.779 -3.723 -7.599 1.00 0.00 H new ATOM 1850 N GLY A 115 107.560 -8.460 -4.296 1.00 0.00 N ATOM 1851 CA GLY A 115 106.688 -9.141 -3.357 1.00 0.00 C ATOM 1852 C GLY A 115 105.764 -10.133 -4.034 1.00 0.00 C ATOM 1853 O GLY A 115 106.212 -11.161 -4.542 1.00 0.00 O ATOM 0 H GLY A 115 107.132 -8.236 -5.194 1.00 0.00 H new ATOM 0 HA2 GLY A 115 107.294 -9.662 -2.616 1.00 0.00 H new ATOM 0 HA3 GLY A 115 106.092 -8.403 -2.820 1.00 0.00 H new ATOM 1857 N ALA A 116 104.471 -9.825 -4.039 1.00 0.00 N ATOM 1858 CA ALA A 116 103.480 -10.697 -4.658 1.00 0.00 C ATOM 1859 C ALA A 116 102.582 -9.920 -5.613 1.00 0.00 C ATOM 1860 O ALA A 116 102.258 -8.757 -5.369 1.00 0.00 O ATOM 1861 CB ALA A 116 102.644 -11.385 -3.588 1.00 0.00 C ATOM 0 H ALA A 116 104.085 -8.978 -3.621 1.00 0.00 H new ATOM 0 HA ALA A 116 104.010 -11.454 -5.236 1.00 0.00 H new ATOM 0 HB1 ALA A 116 101.908 -12.033 -4.063 1.00 0.00 H new ATOM 0 HB2 ALA A 116 103.293 -11.981 -2.947 1.00 0.00 H new ATOM 0 HB3 ALA A 116 102.132 -10.633 -2.987 1.00 0.00 H new ATOM 1867 N GLU A 117 102.183 -10.568 -6.703 1.00 0.00 N ATOM 1868 CA GLU A 117 101.323 -9.936 -7.697 1.00 0.00 C ATOM 1869 C GLU A 117 99.904 -9.765 -7.163 1.00 0.00 C ATOM 1870 O GLU A 117 99.221 -8.795 -7.491 1.00 0.00 O ATOM 1871 CB GLU A 117 101.299 -10.766 -8.983 1.00 0.00 C ATOM 1872 CG GLU A 117 100.911 -9.966 -10.215 1.00 0.00 C ATOM 1873 CD GLU A 117 99.958 -10.719 -11.123 1.00 0.00 C ATOM 1874 OE1 GLU A 117 99.168 -11.536 -10.606 1.00 0.00 O ATOM 1875 OE2 GLU A 117 100.002 -10.490 -12.349 1.00 0.00 O ATOM 0 H GLU A 117 102.442 -11.530 -6.920 1.00 0.00 H new ATOM 0 HA GLU A 117 101.730 -8.949 -7.916 1.00 0.00 H new ATOM 0 HB2 GLU A 117 102.284 -11.205 -9.141 1.00 0.00 H new ATOM 0 HB3 GLU A 117 100.598 -11.591 -8.860 1.00 0.00 H new ATOM 0 HG2 GLU A 117 100.448 -9.030 -9.904 1.00 0.00 H new ATOM 0 HG3 GLU A 117 101.810 -9.707 -10.773 1.00 0.00 H new ATOM 1882 N ASP A 118 99.467 -10.712 -6.340 1.00 0.00 N ATOM 1883 CA ASP A 118 98.128 -10.664 -5.762 1.00 0.00 C ATOM 1884 C ASP A 118 97.722 -9.228 -5.447 1.00 0.00 C ATOM 1885 O ASP A 118 97.162 -8.531 -6.294 1.00 0.00 O ATOM 1886 CB ASP A 118 98.067 -11.516 -4.492 1.00 0.00 C ATOM 1887 CG ASP A 118 97.578 -12.925 -4.764 1.00 0.00 C ATOM 1888 OD1 ASP A 118 96.349 -13.144 -4.722 1.00 0.00 O ATOM 1889 OD2 ASP A 118 98.422 -13.808 -5.018 1.00 0.00 O ATOM 0 H ASP A 118 100.020 -11.522 -6.058 1.00 0.00 H new ATOM 0 HA ASP A 118 97.428 -11.067 -6.494 1.00 0.00 H new ATOM 0 HB2 ASP A 118 99.057 -11.559 -4.039 1.00 0.00 H new ATOM 0 HB3 ASP A 118 97.406 -11.038 -3.769 1.00 0.00 H new ATOM 1894 N SER A 119 98.007 -8.790 -4.225 1.00 0.00 N ATOM 1895 CA SER A 119 97.672 -7.436 -3.801 1.00 0.00 C ATOM 1896 C SER A 119 98.796 -6.466 -4.153 1.00 0.00 C ATOM 1897 O SER A 119 99.687 -6.211 -3.343 1.00 0.00 O ATOM 1898 CB SER A 119 97.406 -7.400 -2.296 1.00 0.00 C ATOM 1899 OG SER A 119 96.237 -8.132 -1.967 1.00 0.00 O ATOM 0 H SER A 119 98.469 -9.353 -3.511 1.00 0.00 H new ATOM 0 HA SER A 119 96.769 -7.129 -4.329 1.00 0.00 H new ATOM 0 HB2 SER A 119 98.261 -7.815 -1.762 1.00 0.00 H new ATOM 0 HB3 SER A 119 97.296 -6.366 -1.967 1.00 0.00 H new ATOM 0 HG SER A 119 96.090 -8.095 -0.999 1.00 0.00 H new ATOM 1905 N HIS A 120 98.748 -5.930 -5.369 1.00 0.00 N ATOM 1906 CA HIS A 120 99.764 -4.990 -5.829 1.00 0.00 C ATOM 1907 C HIS A 120 99.267 -3.552 -5.725 1.00 0.00 C ATOM 1908 O HIS A 120 99.925 -2.700 -5.132 1.00 0.00 O ATOM 1909 CB HIS A 120 100.158 -5.301 -7.273 1.00 0.00 C ATOM 1910 CG HIS A 120 99.012 -5.224 -8.236 1.00 0.00 C ATOM 1911 ND1 HIS A 120 98.658 -4.064 -8.893 1.00 0.00 N ATOM 1912 CD2 HIS A 120 98.139 -6.171 -8.653 1.00 0.00 C ATOM 1913 CE1 HIS A 120 97.616 -4.302 -9.669 1.00 0.00 C ATOM 1914 NE2 HIS A 120 97.283 -5.573 -9.543 1.00 0.00 N ATOM 0 H HIS A 120 98.018 -6.130 -6.052 1.00 0.00 H new ATOM 0 HA HIS A 120 100.639 -5.099 -5.187 1.00 0.00 H new ATOM 0 HB2 HIS A 120 100.934 -4.603 -7.588 1.00 0.00 H new ATOM 0 HB3 HIS A 120 100.591 -6.300 -7.316 1.00 0.00 H new ATOM 0 HD2 HIS A 120 98.120 -7.205 -8.343 1.00 0.00 H new ATOM 0 HE1 HIS A 120 97.120 -3.579 -10.300 1.00 0.00 H new ATOM 0 HE2 HIS A 120 96.514 -6.035 -10.028 1.00 0.00 H new ATOM 1923 N LYS A 121 98.106 -3.286 -6.309 1.00 0.00 N ATOM 1924 CA LYS A 121 97.529 -1.947 -6.282 1.00 0.00 C ATOM 1925 C LYS A 121 97.271 -1.488 -4.850 1.00 0.00 C ATOM 1926 O LYS A 121 97.405 -0.305 -4.534 1.00 0.00 O ATOM 1927 CB LYS A 121 96.225 -1.917 -7.081 1.00 0.00 C ATOM 1928 CG LYS A 121 95.088 -2.681 -6.422 1.00 0.00 C ATOM 1929 CD LYS A 121 93.874 -2.767 -7.330 1.00 0.00 C ATOM 1930 CE LYS A 121 93.326 -4.183 -7.396 1.00 0.00 C ATOM 1931 NZ LYS A 121 91.897 -4.208 -7.817 1.00 0.00 N ATOM 0 H LYS A 121 97.546 -3.978 -6.807 1.00 0.00 H new ATOM 0 HA LYS A 121 98.245 -1.263 -6.737 1.00 0.00 H new ATOM 0 HB2 LYS A 121 95.920 -0.880 -7.223 1.00 0.00 H new ATOM 0 HB3 LYS A 121 96.406 -2.335 -8.071 1.00 0.00 H new ATOM 0 HG2 LYS A 121 95.424 -3.686 -6.166 1.00 0.00 H new ATOM 0 HG3 LYS A 121 94.811 -2.190 -5.489 1.00 0.00 H new ATOM 0 HD2 LYS A 121 93.099 -2.092 -6.967 1.00 0.00 H new ATOM 0 HD3 LYS A 121 94.144 -2.433 -8.332 1.00 0.00 H new ATOM 0 HE2 LYS A 121 93.921 -4.770 -8.096 1.00 0.00 H new ATOM 0 HE3 LYS A 121 93.425 -4.656 -6.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 91.562 -5.192 -7.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 91.325 -3.670 -7.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 91.805 -3.780 -8.760 1.00 0.00 H new ATOM 1945 N PHE A 122 96.899 -2.429 -3.989 1.00 0.00 N ATOM 1946 CA PHE A 122 96.615 -2.119 -2.592 1.00 0.00 C ATOM 1947 C PHE A 122 97.824 -1.488 -1.911 1.00 0.00 C ATOM 1948 O PHE A 122 97.680 -0.621 -1.050 1.00 0.00 O ATOM 1949 CB PHE A 122 96.197 -3.385 -1.843 1.00 0.00 C ATOM 1950 CG PHE A 122 95.848 -3.143 -0.401 1.00 0.00 C ATOM 1951 CD1 PHE A 122 96.843 -2.937 0.540 1.00 0.00 C ATOM 1952 CD2 PHE A 122 94.525 -3.121 0.010 1.00 0.00 C ATOM 1953 CE1 PHE A 122 96.526 -2.714 1.867 1.00 0.00 C ATOM 1954 CE2 PHE A 122 94.202 -2.898 1.335 1.00 0.00 C ATOM 1955 CZ PHE A 122 95.203 -2.695 2.265 1.00 0.00 C ATOM 0 H PHE A 122 96.787 -3.413 -4.234 1.00 0.00 H new ATOM 0 HA PHE A 122 95.796 -1.401 -2.568 1.00 0.00 H new ATOM 0 HB2 PHE A 122 95.338 -3.828 -2.347 1.00 0.00 H new ATOM 0 HB3 PHE A 122 97.007 -4.112 -1.895 1.00 0.00 H new ATOM 0 HD1 PHE A 122 97.879 -2.951 0.234 1.00 0.00 H new ATOM 0 HD2 PHE A 122 93.738 -3.280 -0.713 1.00 0.00 H new ATOM 0 HE1 PHE A 122 97.311 -2.555 2.591 1.00 0.00 H new ATOM 0 HE2 PHE A 122 93.167 -2.882 1.643 1.00 0.00 H new ATOM 0 HZ PHE A 122 94.952 -2.522 3.301 1.00 0.00 H new ATOM 1965 N VAL A 123 99.016 -1.922 -2.303 1.00 0.00 N ATOM 1966 CA VAL A 123 100.244 -1.389 -1.728 1.00 0.00 C ATOM 1967 C VAL A 123 100.429 0.081 -2.094 1.00 0.00 C ATOM 1968 O VAL A 123 100.904 0.877 -1.286 1.00 0.00 O ATOM 1969 CB VAL A 123 101.491 -2.196 -2.149 1.00 0.00 C ATOM 1970 CG1 VAL A 123 101.840 -1.972 -3.611 1.00 0.00 C ATOM 1971 CG2 VAL A 123 102.671 -1.835 -1.265 1.00 0.00 C ATOM 0 H VAL A 123 99.158 -2.639 -3.014 1.00 0.00 H new ATOM 0 HA VAL A 123 100.141 -1.478 -0.646 1.00 0.00 H new ATOM 0 HB VAL A 123 101.259 -3.254 -2.024 1.00 0.00 H new ATOM 0 HG11 VAL A 123 102.723 -2.557 -3.868 1.00 0.00 H new ATOM 0 HG12 VAL A 123 101.004 -2.283 -4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 123 102.044 -0.914 -3.778 1.00 0.00 H new ATOM 0 HG21 VAL A 123 103.545 -2.410 -1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 123 102.886 -0.771 -1.361 1.00 0.00 H new ATOM 0 HG23 VAL A 123 102.431 -2.064 -0.227 1.00 0.00 H new ATOM 1981 N ASN A 124 100.056 0.438 -3.317 1.00 0.00 N ATOM 1982 CA ASN A 124 100.191 1.814 -3.779 1.00 0.00 C ATOM 1983 C ASN A 124 99.465 2.775 -2.844 1.00 0.00 C ATOM 1984 O ASN A 124 99.987 3.838 -2.502 1.00 0.00 O ATOM 1985 CB ASN A 124 99.636 1.953 -5.198 1.00 0.00 C ATOM 1986 CG ASN A 124 98.306 2.680 -5.231 1.00 0.00 C ATOM 1987 OD1 ASN A 124 97.266 2.083 -5.513 1.00 0.00 O ATOM 1988 ND2 ASN A 124 98.331 3.975 -4.942 1.00 0.00 N ATOM 0 H ASN A 124 99.659 -0.203 -4.004 1.00 0.00 H new ATOM 0 HA ASN A 124 101.251 2.068 -3.782 1.00 0.00 H new ATOM 0 HB2 ASN A 124 100.356 2.490 -5.815 1.00 0.00 H new ATOM 0 HB3 ASN A 124 99.516 0.962 -5.637 1.00 0.00 H new ATOM 0 HD21 ASN A 124 97.466 4.516 -4.948 1.00 0.00 H new ATOM 0 HD22 ASN A 124 99.215 4.430 -4.714 1.00 0.00 H new ATOM 1995 N GLY A 125 98.262 2.396 -2.431 1.00 0.00 N ATOM 1996 CA GLY A 125 97.487 3.242 -1.547 1.00 0.00 C ATOM 1997 C GLY A 125 98.185 3.501 -0.230 1.00 0.00 C ATOM 1998 O GLY A 125 98.081 4.595 0.326 1.00 0.00 O ATOM 0 H GLY A 125 97.811 1.519 -2.692 1.00 0.00 H new ATOM 0 HA2 GLY A 125 97.288 4.193 -2.042 1.00 0.00 H new ATOM 0 HA3 GLY A 125 96.521 2.774 -1.356 1.00 0.00 H new ATOM 2002 N VAL A 126 98.911 2.508 0.268 1.00 0.00 N ATOM 2003 CA VAL A 126 99.631 2.667 1.526 1.00 0.00 C ATOM 2004 C VAL A 126 100.617 3.819 1.427 1.00 0.00 C ATOM 2005 O VAL A 126 100.780 4.595 2.370 1.00 0.00 O ATOM 2006 CB VAL A 126 100.410 1.399 1.921 1.00 0.00 C ATOM 2007 CG1 VAL A 126 99.734 0.147 1.381 1.00 0.00 C ATOM 2008 CG2 VAL A 126 101.857 1.499 1.450 1.00 0.00 C ATOM 0 H VAL A 126 99.017 1.594 -0.173 1.00 0.00 H new ATOM 0 HA VAL A 126 98.879 2.865 2.290 1.00 0.00 H new ATOM 0 HB VAL A 126 100.412 1.321 3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 126 100.307 -0.732 1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 126 98.725 0.075 1.786 1.00 0.00 H new ATOM 0 HG13 VAL A 126 99.685 0.200 0.293 1.00 0.00 H new ATOM 0 HG21 VAL A 126 102.396 0.596 1.736 1.00 0.00 H new ATOM 0 HG22 VAL A 126 101.880 1.607 0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 126 102.331 2.366 1.911 1.00 0.00 H new ATOM 2018 N LEU A 127 101.275 3.923 0.278 1.00 0.00 N ATOM 2019 CA LEU A 127 102.248 4.979 0.058 1.00 0.00 C ATOM 2020 C LEU A 127 101.563 6.334 -0.033 1.00 0.00 C ATOM 2021 O LEU A 127 102.139 7.352 0.341 1.00 0.00 O ATOM 2022 CB LEU A 127 103.061 4.713 -1.204 1.00 0.00 C ATOM 2023 CG LEU A 127 104.505 4.278 -0.956 1.00 0.00 C ATOM 2024 CD1 LEU A 127 105.321 4.396 -2.231 1.00 0.00 C ATOM 2025 CD2 LEU A 127 105.129 5.113 0.152 1.00 0.00 C ATOM 0 H LEU A 127 101.151 3.289 -0.512 1.00 0.00 H new ATOM 0 HA LEU A 127 102.927 4.991 0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 127 102.559 3.941 -1.787 1.00 0.00 H new ATOM 0 HB3 LEU A 127 103.068 5.618 -1.812 1.00 0.00 H new ATOM 0 HG LEU A 127 104.502 3.234 -0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 127 106.347 4.082 -2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 127 104.886 3.759 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 127 105.316 5.431 -2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 127 106.157 4.790 0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 127 105.120 6.164 -0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 127 104.557 4.984 1.071 1.00 0.00 H new ATOM 2037 N ASP A 128 100.329 6.344 -0.526 1.00 0.00 N ATOM 2038 CA ASP A 128 99.588 7.589 -0.649 1.00 0.00 C ATOM 2039 C ASP A 128 99.422 8.217 0.726 1.00 0.00 C ATOM 2040 O ASP A 128 99.647 9.411 0.907 1.00 0.00 O ATOM 2041 CB ASP A 128 98.219 7.338 -1.285 1.00 0.00 C ATOM 2042 CG ASP A 128 97.662 8.574 -1.964 1.00 0.00 C ATOM 2043 OD1 ASP A 128 97.062 9.416 -1.264 1.00 0.00 O ATOM 2044 OD2 ASP A 128 97.824 8.698 -3.196 1.00 0.00 O ATOM 0 H ASP A 128 99.828 5.514 -0.843 1.00 0.00 H new ATOM 0 HA ASP A 128 100.143 8.271 -1.293 1.00 0.00 H new ATOM 0 HB2 ASP A 128 98.302 6.532 -2.015 1.00 0.00 H new ATOM 0 HB3 ASP A 128 97.521 7.002 -0.518 1.00 0.00 H new ATOM 2049 N LYS A 129 99.045 7.394 1.697 1.00 0.00 N ATOM 2050 CA LYS A 129 98.875 7.853 3.066 1.00 0.00 C ATOM 2051 C LYS A 129 100.228 7.971 3.769 1.00 0.00 C ATOM 2052 O LYS A 129 100.479 8.928 4.501 1.00 0.00 O ATOM 2053 CB LYS A 129 97.966 6.896 3.839 1.00 0.00 C ATOM 2054 CG LYS A 129 96.751 6.441 3.048 1.00 0.00 C ATOM 2055 CD LYS A 129 96.053 7.612 2.376 1.00 0.00 C ATOM 2056 CE LYS A 129 95.528 8.607 3.397 1.00 0.00 C ATOM 2057 NZ LYS A 129 94.245 8.157 4.003 1.00 0.00 N ATOM 0 H LYS A 129 98.851 6.402 1.559 1.00 0.00 H new ATOM 0 HA LYS A 129 98.410 8.839 3.039 1.00 0.00 H new ATOM 0 HB2 LYS A 129 98.543 6.021 4.138 1.00 0.00 H new ATOM 0 HB3 LYS A 129 97.632 7.385 4.754 1.00 0.00 H new ATOM 0 HG2 LYS A 129 97.057 5.717 2.293 1.00 0.00 H new ATOM 0 HG3 LYS A 129 96.053 5.932 3.713 1.00 0.00 H new ATOM 0 HD2 LYS A 129 96.748 8.113 1.702 1.00 0.00 H new ATOM 0 HD3 LYS A 129 95.227 7.244 1.767 1.00 0.00 H new ATOM 0 HE2 LYS A 129 96.271 8.747 4.182 1.00 0.00 H new ATOM 0 HE3 LYS A 129 95.383 9.576 2.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 93.921 8.864 4.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 93.528 8.048 3.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 94.388 7.245 4.482 1.00 0.00 H new ATOM 2071 N ALA A 130 101.086 6.972 3.555 1.00 0.00 N ATOM 2072 CA ALA A 130 102.406 6.937 4.179 1.00 0.00 C ATOM 2073 C ALA A 130 103.374 7.963 3.588 1.00 0.00 C ATOM 2074 O ALA A 130 104.273 8.443 4.278 1.00 0.00 O ATOM 2075 CB ALA A 130 102.993 5.540 4.053 1.00 0.00 C ATOM 0 H ALA A 130 100.887 6.174 2.951 1.00 0.00 H new ATOM 0 HA ALA A 130 102.271 7.199 5.228 1.00 0.00 H new ATOM 0 HB1 ALA A 130 103.978 5.516 4.519 1.00 0.00 H new ATOM 0 HB2 ALA A 130 102.339 4.824 4.550 1.00 0.00 H new ATOM 0 HB3 ALA A 130 103.084 5.277 2.999 1.00 0.00 H new ATOM 2081 N ALA A 131 103.207 8.279 2.309 1.00 0.00 N ATOM 2082 CA ALA A 131 104.093 9.228 1.637 1.00 0.00 C ATOM 2083 C ALA A 131 104.073 10.599 2.303 1.00 0.00 C ATOM 2084 O ALA A 131 105.094 11.080 2.795 1.00 0.00 O ATOM 2085 CB ALA A 131 103.723 9.348 0.167 1.00 0.00 C ATOM 0 H ALA A 131 102.470 7.895 1.717 1.00 0.00 H new ATOM 0 HA ALA A 131 105.108 8.840 1.720 1.00 0.00 H new ATOM 0 HB1 ALA A 131 104.392 10.058 -0.320 1.00 0.00 H new ATOM 0 HB2 ALA A 131 103.817 8.374 -0.313 1.00 0.00 H new ATOM 0 HB3 ALA A 131 102.695 9.698 0.078 1.00 0.00 H new ATOM 2091 N PRO A 132 102.906 11.250 2.311 1.00 0.00 N ATOM 2092 CA PRO A 132 102.737 12.583 2.902 1.00 0.00 C ATOM 2093 C PRO A 132 103.024 12.613 4.402 1.00 0.00 C ATOM 2094 O PRO A 132 103.055 13.683 5.011 1.00 0.00 O ATOM 2095 CB PRO A 132 101.263 12.910 2.630 1.00 0.00 C ATOM 2096 CG PRO A 132 100.615 11.589 2.397 1.00 0.00 C ATOM 2097 CD PRO A 132 101.656 10.742 1.733 1.00 0.00 C ATOM 0 HA PRO A 132 103.437 13.301 2.474 1.00 0.00 H new ATOM 0 HB2 PRO A 132 100.811 13.428 3.475 1.00 0.00 H new ATOM 0 HB3 PRO A 132 101.156 13.561 1.762 1.00 0.00 H new ATOM 0 HG2 PRO A 132 100.286 11.143 3.336 1.00 0.00 H new ATOM 0 HG3 PRO A 132 99.732 11.691 1.766 1.00 0.00 H new ATOM 0 HD2 PRO A 132 101.513 9.683 1.947 1.00 0.00 H new ATOM 0 HD3 PRO A 132 101.637 10.854 0.649 1.00 0.00 H new ATOM 2105 N VAL A 133 103.238 11.442 4.995 1.00 0.00 N ATOM 2106 CA VAL A 133 103.525 11.356 6.421 1.00 0.00 C ATOM 2107 C VAL A 133 104.923 11.885 6.731 1.00 0.00 C ATOM 2108 O VAL A 133 105.080 12.851 7.478 1.00 0.00 O ATOM 2109 CB VAL A 133 103.407 9.910 6.933 1.00 0.00 C ATOM 2110 CG1 VAL A 133 103.917 9.810 8.362 1.00 0.00 C ATOM 2111 CG2 VAL A 133 101.968 9.426 6.838 1.00 0.00 C ATOM 0 H VAL A 133 103.218 10.544 4.512 1.00 0.00 H new ATOM 0 HA VAL A 133 102.785 11.972 6.931 1.00 0.00 H new ATOM 0 HB VAL A 133 104.024 9.268 6.304 1.00 0.00 H new ATOM 0 HG11 VAL A 133 103.827 8.781 8.709 1.00 0.00 H new ATOM 0 HG12 VAL A 133 104.963 10.114 8.397 1.00 0.00 H new ATOM 0 HG13 VAL A 133 103.327 10.463 9.005 1.00 0.00 H new ATOM 0 HG21 VAL A 133 101.904 8.401 7.204 1.00 0.00 H new ATOM 0 HG22 VAL A 133 101.327 10.068 7.442 1.00 0.00 H new ATOM 0 HG23 VAL A 133 101.640 9.461 5.799 1.00 0.00 H new ATOM 2121 N ILE A 134 105.937 11.248 6.151 1.00 0.00 N ATOM 2122 CA ILE A 134 107.317 11.653 6.361 1.00 0.00 C ATOM 2123 C ILE A 134 107.549 13.079 5.871 1.00 0.00 C ATOM 2124 O ILE A 134 108.367 13.813 6.427 1.00 0.00 O ATOM 2125 CB ILE A 134 108.282 10.706 5.626 1.00 0.00 C ATOM 2126 CG1 ILE A 134 109.328 10.157 6.591 1.00 0.00 C ATOM 2127 CG2 ILE A 134 108.955 11.427 4.469 1.00 0.00 C ATOM 2128 CD1 ILE A 134 109.308 8.653 6.728 1.00 0.00 C ATOM 0 H ILE A 134 105.824 10.447 5.530 1.00 0.00 H new ATOM 0 HA ILE A 134 107.511 11.607 7.433 1.00 0.00 H new ATOM 0 HB ILE A 134 107.708 9.870 5.226 1.00 0.00 H new ATOM 0 HG12 ILE A 134 110.317 10.468 6.254 1.00 0.00 H new ATOM 0 HG13 ILE A 134 109.171 10.603 7.573 1.00 0.00 H new ATOM 0 HG21 ILE A 134 109.634 10.743 3.960 1.00 0.00 H new ATOM 0 HG22 ILE A 134 108.197 11.775 3.767 1.00 0.00 H new ATOM 0 HG23 ILE A 134 109.517 12.280 4.849 1.00 0.00 H new ATOM 0 HD11 ILE A 134 110.081 8.341 7.431 1.00 0.00 H new ATOM 0 HD12 ILE A 134 108.333 8.334 7.096 1.00 0.00 H new ATOM 0 HD13 ILE A 134 109.496 8.197 5.756 1.00 0.00 H new ATOM 2140 N ARG A 135 106.824 13.465 4.826 1.00 0.00 N ATOM 2141 CA ARG A 135 106.945 14.795 4.258 1.00 0.00 C ATOM 2142 C ARG A 135 106.008 15.771 4.963 1.00 0.00 C ATOM 2143 O ARG A 135 105.227 15.384 5.832 1.00 0.00 O ATOM 2144 CB ARG A 135 106.629 14.750 2.762 1.00 0.00 C ATOM 2145 CG ARG A 135 107.824 15.066 1.877 1.00 0.00 C ATOM 2146 CD ARG A 135 107.418 15.895 0.669 1.00 0.00 C ATOM 2147 NE ARG A 135 108.150 17.157 0.599 1.00 0.00 N ATOM 2148 CZ ARG A 135 109.475 17.240 0.548 1.00 0.00 C ATOM 2149 NH1 ARG A 135 110.211 16.136 0.552 1.00 0.00 N ATOM 2150 NH2 ARG A 135 110.065 18.425 0.491 1.00 0.00 N ATOM 0 H ARG A 135 106.143 12.868 4.356 1.00 0.00 H new ATOM 0 HA ARG A 135 107.969 15.142 4.399 1.00 0.00 H new ATOM 0 HB2 ARG A 135 106.252 13.759 2.509 1.00 0.00 H new ATOM 0 HB3 ARG A 135 105.830 15.460 2.547 1.00 0.00 H new ATOM 0 HG2 ARG A 135 108.574 15.606 2.455 1.00 0.00 H new ATOM 0 HG3 ARG A 135 108.287 14.137 1.543 1.00 0.00 H new ATOM 0 HD2 ARG A 135 107.597 15.322 -0.241 1.00 0.00 H new ATOM 0 HD3 ARG A 135 106.348 16.099 0.712 1.00 0.00 H new ATOM 0 HE ARG A 135 107.613 18.024 0.589 1.00 0.00 H new ATOM 0 HH11 ARG A 135 109.760 15.222 0.594 1.00 0.00 H new ATOM 0 HH12 ARG A 135 111.228 16.201 0.513 1.00 0.00 H new ATOM 0 HH21 ARG A 135 109.502 19.275 0.486 1.00 0.00 H new ATOM 0 HH22 ARG A 135 111.082 18.487 0.452 1.00 0.00 H new