USER MOD reduce.3.24.130724 H: found=0, std=0, add=1020, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1017 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 97 CYS SG : rot 101:sc= 1.68 USER MOD Set 1.2: A 99 CYS SG : rot -53:sc= 0.00872 USER MOD Set 1.3: A 145 CYS SG : rot -64:sc= 1.17 USER MOD Set 2.1: A 95 THR OG1 : rot 118:sc= 0.631 USER MOD Set 2.2: A 149 HIS : no HD1:sc= -0.318 K(o=0.31,f=-0.26) USER MOD Set 3.1: A 77 ASN : amide:sc= -0.381 K(o=-0.57,f=-9.7!) USER MOD Set 3.2: A 80 GLN : amide:sc= -0.285 K(o=-0.57,f=-1.7!) USER MOD Set 3.3: A 178 THR OG1 : rot -81:sc= 0.0941 USER MOD Set 4.1: A 75 TYR OH : rot 30:sc= 0 USER MOD Set 4.2: A 86 GLN : amide:sc= -0.18 K(o=-0.18,f=-1.7!) USER MOD Set 5.1: A 57 HIS : no HE2:sc= -7.72! C(o=-7.7!,f=-7!) USER MOD Set 5.2: A 139 SER OG : rot 180:sc=-0.00887 USER MOD Set 6.1: A 37 SER OG : rot 63:sc= 1.21 USER MOD Set 6.2: A 42 SER OG : rot 9:sc= 1.03 USER MOD Single : A 34 GLN : amide:sc= -0.972 X(o=-0.97,f=-0.89) USER MOD Single : A 38 THR OG1 : rot 84:sc= 0.369 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0073 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 46 THR OG1 : rot 120:sc= -0.304 USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc=-0.00207 K(o=-0.0021,f=-1.4!) USER MOD Single : A 52 CYS SG : rot 180:sc= -1.66! USER MOD Single : A 54 THR OG1 : rot 150:sc= -0.118 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 29:sc= 0.415 USER MOD Single : A 73 GLN : amide:sc= -2.23! K(o=-2.2!,f=-1.3) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 170:sc= -1.07 USER MOD Single : A 98 THR OG1 : rot -60:sc= 0.355 USER MOD Single : A 101 SER OG : rot 25:sc= 0.892 USER MOD Single : A 102 SER OG : rot 180:sc= -0.0536 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 130:sc= -0.538 USER MOD Single : A 110 HIS : no HD1:sc= -0.122 X(o=-0.12,f=-0.16) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 174:sc= -0.0044 (180deg=-0.0237) USER MOD Single : A 138 SER OG : rot -103:sc= 1.16 USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 159 CYS SG : rot 26:sc= -0.932 USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 174 SER OG : rot 180:sc= -0.33 USER MOD Single : A 175 MET CE :methyl 168:sc= -0.387 (180deg=-0.65) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 MET CE :methyl -124:sc= -0.0288 (180deg=-0.438) USER MOD ----------------------------------------------------------------- ATOM 149 N GLU A 32 112.538 10.504 -1.241 1.00 0.00 N ATOM 150 CA GLU A 32 111.167 10.136 -0.776 1.00 0.00 C ATOM 151 C GLU A 32 111.153 8.704 -0.236 1.00 0.00 C ATOM 152 O GLU A 32 111.179 7.749 -0.990 1.00 0.00 O ATOM 153 CB GLU A 32 110.287 10.247 -2.021 1.00 0.00 C ATOM 154 CG GLU A 32 110.135 11.721 -2.413 1.00 0.00 C ATOM 155 CD GLU A 32 109.312 11.838 -3.701 1.00 0.00 C ATOM 156 OE1 GLU A 32 108.530 10.938 -3.973 1.00 0.00 O ATOM 157 OE2 GLU A 32 109.476 12.828 -4.395 1.00 0.00 O ATOM 0 HA GLU A 32 110.819 10.780 0.031 1.00 0.00 H new ATOM 0 HB2 GLU A 32 110.730 9.685 -2.843 1.00 0.00 H new ATOM 0 HB3 GLU A 32 109.308 9.809 -1.827 1.00 0.00 H new ATOM 0 HG2 GLU A 32 109.647 12.271 -1.609 1.00 0.00 H new ATOM 0 HG3 GLU A 32 111.117 12.171 -2.557 1.00 0.00 H new ATOM 164 N VAL A 33 111.103 8.551 1.063 1.00 0.00 N ATOM 165 CA VAL A 33 111.076 7.181 1.659 1.00 0.00 C ATOM 166 C VAL A 33 110.055 7.128 2.801 1.00 0.00 C ATOM 167 O VAL A 33 110.049 7.971 3.678 1.00 0.00 O ATOM 168 CB VAL A 33 112.501 6.933 2.175 1.00 0.00 C ATOM 169 CG1 VAL A 33 112.864 7.963 3.250 1.00 0.00 C ATOM 170 CG2 VAL A 33 112.589 5.523 2.770 1.00 0.00 C ATOM 0 H VAL A 33 111.080 9.316 1.737 1.00 0.00 H new ATOM 0 HA VAL A 33 110.780 6.419 0.938 1.00 0.00 H new ATOM 0 HB VAL A 33 113.200 7.028 1.344 1.00 0.00 H new ATOM 0 HG11 VAL A 33 113.877 7.775 3.607 1.00 0.00 H new ATOM 0 HG12 VAL A 33 112.809 8.966 2.826 1.00 0.00 H new ATOM 0 HG13 VAL A 33 112.165 7.882 4.083 1.00 0.00 H new ATOM 0 HG21 VAL A 33 113.600 5.345 3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 33 111.882 5.431 3.595 1.00 0.00 H new ATOM 0 HG23 VAL A 33 112.347 4.788 2.002 1.00 0.00 H new ATOM 180 N GLN A 34 109.193 6.144 2.791 1.00 0.00 N ATOM 181 CA GLN A 34 108.167 6.030 3.870 1.00 0.00 C ATOM 182 C GLN A 34 108.551 4.920 4.852 1.00 0.00 C ATOM 183 O GLN A 34 108.897 3.822 4.457 1.00 0.00 O ATOM 184 CB GLN A 34 106.868 5.678 3.145 1.00 0.00 C ATOM 185 CG GLN A 34 106.180 6.962 2.673 1.00 0.00 C ATOM 186 CD GLN A 34 107.000 7.600 1.551 1.00 0.00 C ATOM 187 OE1 GLN A 34 107.135 7.036 0.484 1.00 0.00 O ATOM 188 NE2 GLN A 34 107.555 8.765 1.748 1.00 0.00 N ATOM 0 H GLN A 34 109.156 5.413 2.080 1.00 0.00 H new ATOM 0 HA GLN A 34 108.075 6.948 4.450 1.00 0.00 H new ATOM 0 HB2 GLN A 34 107.079 5.032 2.293 1.00 0.00 H new ATOM 0 HB3 GLN A 34 106.207 5.123 3.810 1.00 0.00 H new ATOM 0 HG2 GLN A 34 105.173 6.739 2.320 1.00 0.00 H new ATOM 0 HG3 GLN A 34 106.078 7.659 3.505 1.00 0.00 H new ATOM 0 HE21 GLN A 34 107.442 9.239 2.644 1.00 0.00 H new ATOM 0 HE22 GLN A 34 108.102 9.201 1.006 1.00 0.00 H new ATOM 197 N VAL A 35 108.487 5.202 6.128 1.00 0.00 N ATOM 198 CA VAL A 35 108.843 4.169 7.146 1.00 0.00 C ATOM 199 C VAL A 35 107.699 3.158 7.287 1.00 0.00 C ATOM 200 O VAL A 35 106.541 3.528 7.347 1.00 0.00 O ATOM 201 CB VAL A 35 109.052 4.941 8.456 1.00 0.00 C ATOM 202 CG1 VAL A 35 110.199 5.939 8.279 1.00 0.00 C ATOM 203 CG2 VAL A 35 107.765 5.696 8.837 1.00 0.00 C ATOM 0 H VAL A 35 108.203 6.105 6.509 1.00 0.00 H new ATOM 0 HA VAL A 35 109.735 3.606 6.869 1.00 0.00 H new ATOM 0 HB VAL A 35 109.297 4.237 9.251 1.00 0.00 H new ATOM 0 HG11 VAL A 35 110.350 6.489 9.208 1.00 0.00 H new ATOM 0 HG12 VAL A 35 111.112 5.402 8.023 1.00 0.00 H new ATOM 0 HG13 VAL A 35 109.953 6.638 7.480 1.00 0.00 H new ATOM 0 HG21 VAL A 35 107.924 6.240 9.768 1.00 0.00 H new ATOM 0 HG22 VAL A 35 107.508 6.399 8.045 1.00 0.00 H new ATOM 0 HG23 VAL A 35 106.951 4.984 8.968 1.00 0.00 H new ATOM 213 N VAL A 36 108.016 1.890 7.337 1.00 0.00 N ATOM 214 CA VAL A 36 106.949 0.853 7.471 1.00 0.00 C ATOM 215 C VAL A 36 107.377 -0.218 8.483 1.00 0.00 C ATOM 216 O VAL A 36 108.518 -0.638 8.509 1.00 0.00 O ATOM 217 CB VAL A 36 106.794 0.259 6.064 1.00 0.00 C ATOM 218 CG1 VAL A 36 108.119 -0.358 5.605 1.00 0.00 C ATOM 219 CG2 VAL A 36 105.710 -0.822 6.078 1.00 0.00 C ATOM 0 H VAL A 36 108.968 1.527 7.291 1.00 0.00 H new ATOM 0 HA VAL A 36 106.008 1.265 7.837 1.00 0.00 H new ATOM 0 HB VAL A 36 106.510 1.054 5.374 1.00 0.00 H new ATOM 0 HG11 VAL A 36 107.999 -0.777 4.606 1.00 0.00 H new ATOM 0 HG12 VAL A 36 108.891 0.411 5.586 1.00 0.00 H new ATOM 0 HG13 VAL A 36 108.411 -1.148 6.297 1.00 0.00 H new ATOM 0 HG21 VAL A 36 105.602 -1.242 5.078 1.00 0.00 H new ATOM 0 HG22 VAL A 36 105.992 -1.611 6.775 1.00 0.00 H new ATOM 0 HG23 VAL A 36 104.763 -0.383 6.391 1.00 0.00 H new ATOM 229 N SER A 37 106.465 -0.656 9.314 1.00 0.00 N ATOM 230 CA SER A 37 106.807 -1.697 10.328 1.00 0.00 C ATOM 231 C SER A 37 105.900 -2.917 10.157 1.00 0.00 C ATOM 232 O SER A 37 104.706 -2.788 9.960 1.00 0.00 O ATOM 233 CB SER A 37 106.554 -1.032 11.679 1.00 0.00 C ATOM 234 OG SER A 37 107.068 -1.861 12.715 1.00 0.00 O ATOM 0 H SER A 37 105.497 -0.336 9.333 1.00 0.00 H new ATOM 0 HA SER A 37 107.835 -2.046 10.230 1.00 0.00 H new ATOM 0 HB2 SER A 37 107.032 -0.053 11.710 1.00 0.00 H new ATOM 0 HB3 SER A 37 105.486 -0.870 11.823 1.00 0.00 H new ATOM 0 HG SER A 37 108.038 -1.952 12.610 1.00 0.00 H new ATOM 240 N THR A 38 106.458 -4.098 10.233 1.00 0.00 N ATOM 241 CA THR A 38 105.632 -5.332 10.076 1.00 0.00 C ATOM 242 C THR A 38 105.316 -5.927 11.448 1.00 0.00 C ATOM 243 O THR A 38 105.712 -5.399 12.470 1.00 0.00 O ATOM 244 CB THR A 38 106.483 -6.302 9.247 1.00 0.00 C ATOM 245 OG1 THR A 38 107.285 -5.575 8.326 1.00 0.00 O ATOM 246 CG2 THR A 38 105.567 -7.256 8.478 1.00 0.00 C ATOM 0 H THR A 38 107.451 -4.261 10.397 1.00 0.00 H new ATOM 0 HA THR A 38 104.680 -5.126 9.588 1.00 0.00 H new ATOM 0 HB THR A 38 107.128 -6.872 9.915 1.00 0.00 H new ATOM 0 HG1 THR A 38 108.104 -5.274 8.772 1.00 0.00 H new ATOM 0 HG21 THR A 38 106.172 -7.945 7.889 1.00 0.00 H new ATOM 0 HG22 THR A 38 104.956 -7.820 9.182 1.00 0.00 H new ATOM 0 HG23 THR A 38 104.920 -6.683 7.814 1.00 0.00 H new ATOM 254 N ALA A 39 104.595 -7.017 11.474 1.00 0.00 N ATOM 255 CA ALA A 39 104.233 -7.650 12.778 1.00 0.00 C ATOM 256 C ALA A 39 105.489 -8.054 13.561 1.00 0.00 C ATOM 257 O ALA A 39 105.550 -7.892 14.765 1.00 0.00 O ATOM 258 CB ALA A 39 103.413 -8.889 12.411 1.00 0.00 C ATOM 0 H ALA A 39 104.240 -7.498 10.647 1.00 0.00 H new ATOM 0 HA ALA A 39 103.677 -6.963 13.416 1.00 0.00 H new ATOM 0 HB1 ALA A 39 103.110 -9.408 13.321 1.00 0.00 H new ATOM 0 HB2 ALA A 39 102.526 -8.587 11.854 1.00 0.00 H new ATOM 0 HB3 ALA A 39 104.017 -9.557 11.797 1.00 0.00 H new ATOM 264 N THR A 40 106.480 -8.594 12.893 1.00 0.00 N ATOM 265 CA THR A 40 107.720 -9.024 13.612 1.00 0.00 C ATOM 266 C THR A 40 108.967 -8.317 13.064 1.00 0.00 C ATOM 267 O THR A 40 109.953 -8.172 13.762 1.00 0.00 O ATOM 268 CB THR A 40 107.812 -10.531 13.364 1.00 0.00 C ATOM 269 OG1 THR A 40 107.510 -10.803 12.001 1.00 0.00 O ATOM 270 CG2 THR A 40 106.817 -11.262 14.265 1.00 0.00 C ATOM 0 H THR A 40 106.484 -8.755 11.886 1.00 0.00 H new ATOM 0 HA THR A 40 107.673 -8.773 14.672 1.00 0.00 H new ATOM 0 HB THR A 40 108.821 -10.876 13.590 1.00 0.00 H new ATOM 0 HG1 THR A 40 107.570 -11.768 11.839 1.00 0.00 H new ATOM 0 HG21 THR A 40 106.885 -12.335 14.086 1.00 0.00 H new ATOM 0 HG22 THR A 40 107.050 -11.053 15.309 1.00 0.00 H new ATOM 0 HG23 THR A 40 105.806 -10.920 14.043 1.00 0.00 H new ATOM 278 N GLN A 41 108.940 -7.887 11.826 1.00 0.00 N ATOM 279 CA GLN A 41 110.138 -7.204 11.245 1.00 0.00 C ATOM 280 C GLN A 41 109.801 -5.766 10.844 1.00 0.00 C ATOM 281 O GLN A 41 108.652 -5.418 10.653 1.00 0.00 O ATOM 282 CB GLN A 41 110.507 -8.029 10.012 1.00 0.00 C ATOM 283 CG GLN A 41 111.022 -9.401 10.451 1.00 0.00 C ATOM 284 CD GLN A 41 111.392 -10.227 9.218 1.00 0.00 C ATOM 285 OE1 GLN A 41 110.745 -10.132 8.193 1.00 0.00 O ATOM 286 NE2 GLN A 41 112.412 -11.039 9.272 1.00 0.00 N ATOM 0 H GLN A 41 108.144 -7.979 11.195 1.00 0.00 H new ATOM 0 HA GLN A 41 110.958 -7.145 11.961 1.00 0.00 H new ATOM 0 HB2 GLN A 41 109.637 -8.145 9.365 1.00 0.00 H new ATOM 0 HB3 GLN A 41 111.270 -7.512 9.430 1.00 0.00 H new ATOM 0 HG2 GLN A 41 111.892 -9.285 11.098 1.00 0.00 H new ATOM 0 HG3 GLN A 41 110.259 -9.918 11.033 1.00 0.00 H new ATOM 0 HE21 GLN A 41 112.955 -11.119 10.132 1.00 0.00 H new ATOM 0 HE22 GLN A 41 112.666 -11.594 8.455 1.00 0.00 H new ATOM 295 N SER A 42 110.801 -4.932 10.713 1.00 0.00 N ATOM 296 CA SER A 42 110.556 -3.514 10.317 1.00 0.00 C ATOM 297 C SER A 42 111.630 -3.048 9.333 1.00 0.00 C ATOM 298 O SER A 42 112.809 -3.055 9.636 1.00 0.00 O ATOM 299 CB SER A 42 110.637 -2.719 11.619 1.00 0.00 C ATOM 300 OG SER A 42 109.423 -2.879 12.343 1.00 0.00 O ATOM 0 H SER A 42 111.780 -5.174 10.864 1.00 0.00 H new ATOM 0 HA SER A 42 109.594 -3.383 9.821 1.00 0.00 H new ATOM 0 HB2 SER A 42 111.479 -3.065 12.218 1.00 0.00 H new ATOM 0 HB3 SER A 42 110.810 -1.664 11.405 1.00 0.00 H new ATOM 0 HG SER A 42 108.872 -3.565 11.911 1.00 0.00 H new ATOM 306 N PHE A 43 111.227 -2.641 8.158 1.00 0.00 N ATOM 307 CA PHE A 43 112.212 -2.169 7.137 1.00 0.00 C ATOM 308 C PHE A 43 111.700 -0.887 6.473 1.00 0.00 C ATOM 309 O PHE A 43 110.606 -0.433 6.753 1.00 0.00 O ATOM 310 CB PHE A 43 112.320 -3.304 6.108 1.00 0.00 C ATOM 311 CG PHE A 43 110.949 -3.644 5.564 1.00 0.00 C ATOM 312 CD1 PHE A 43 110.130 -4.540 6.261 1.00 0.00 C ATOM 313 CD2 PHE A 43 110.501 -3.069 4.370 1.00 0.00 C ATOM 314 CE1 PHE A 43 108.863 -4.860 5.767 1.00 0.00 C ATOM 315 CE2 PHE A 43 109.232 -3.391 3.874 1.00 0.00 C ATOM 316 CZ PHE A 43 108.413 -4.287 4.573 1.00 0.00 C ATOM 0 H PHE A 43 110.252 -2.615 7.859 1.00 0.00 H new ATOM 0 HA PHE A 43 113.182 -1.940 7.579 1.00 0.00 H new ATOM 0 HB2 PHE A 43 112.979 -3.005 5.293 1.00 0.00 H new ATOM 0 HB3 PHE A 43 112.765 -4.185 6.571 1.00 0.00 H new ATOM 0 HD1 PHE A 43 110.478 -4.984 7.182 1.00 0.00 H new ATOM 0 HD2 PHE A 43 111.133 -2.378 3.832 1.00 0.00 H new ATOM 0 HE1 PHE A 43 108.231 -5.550 6.307 1.00 0.00 H new ATOM 0 HE2 PHE A 43 108.884 -2.948 2.952 1.00 0.00 H new ATOM 0 HZ PHE A 43 107.434 -4.535 4.190 1.00 0.00 H new ATOM 326 N LEU A 44 112.481 -0.299 5.603 1.00 0.00 N ATOM 327 CA LEU A 44 112.039 0.960 4.923 1.00 0.00 C ATOM 328 C LEU A 44 111.915 0.736 3.414 1.00 0.00 C ATOM 329 O LEU A 44 112.474 -0.197 2.868 1.00 0.00 O ATOM 330 CB LEU A 44 113.135 1.987 5.227 1.00 0.00 C ATOM 331 CG LEU A 44 113.294 2.164 6.745 1.00 0.00 C ATOM 332 CD1 LEU A 44 114.392 3.189 7.022 1.00 0.00 C ATOM 333 CD2 LEU A 44 111.984 2.669 7.356 1.00 0.00 C ATOM 0 H LEU A 44 113.406 -0.635 5.333 1.00 0.00 H new ATOM 0 HA LEU A 44 111.062 1.293 5.274 1.00 0.00 H new ATOM 0 HB2 LEU A 44 114.079 1.661 4.791 1.00 0.00 H new ATOM 0 HB3 LEU A 44 112.885 2.943 4.767 1.00 0.00 H new ATOM 0 HG LEU A 44 113.555 1.203 7.187 1.00 0.00 H new ATOM 0 HD11 LEU A 44 114.507 3.317 8.098 1.00 0.00 H new ATOM 0 HD12 LEU A 44 115.332 2.839 6.595 1.00 0.00 H new ATOM 0 HD13 LEU A 44 114.121 4.143 6.570 1.00 0.00 H new ATOM 0 HD21 LEU A 44 112.108 2.791 8.432 1.00 0.00 H new ATOM 0 HD22 LEU A 44 111.720 3.628 6.910 1.00 0.00 H new ATOM 0 HD23 LEU A 44 111.190 1.948 7.161 1.00 0.00 H new ATOM 345 N ALA A 45 111.180 1.585 2.737 1.00 0.00 N ATOM 346 CA ALA A 45 111.011 1.426 1.260 1.00 0.00 C ATOM 347 C ALA A 45 111.312 2.745 0.541 1.00 0.00 C ATOM 348 O ALA A 45 111.006 3.815 1.034 1.00 0.00 O ATOM 349 CB ALA A 45 109.544 1.035 1.073 1.00 0.00 C ATOM 0 H ALA A 45 110.690 2.381 3.145 1.00 0.00 H new ATOM 0 HA ALA A 45 111.691 0.681 0.845 1.00 0.00 H new ATOM 0 HB1 ALA A 45 109.336 0.899 0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 45 109.345 0.104 1.604 1.00 0.00 H new ATOM 0 HB3 ALA A 45 108.904 1.823 1.470 1.00 0.00 H new ATOM 355 N THR A 46 111.908 2.673 -0.624 1.00 0.00 N ATOM 356 CA THR A 46 112.233 3.915 -1.388 1.00 0.00 C ATOM 357 C THR A 46 111.588 3.863 -2.778 1.00 0.00 C ATOM 358 O THR A 46 111.611 2.843 -3.441 1.00 0.00 O ATOM 359 CB THR A 46 113.759 3.924 -1.502 1.00 0.00 C ATOM 360 OG1 THR A 46 114.328 3.893 -0.201 1.00 0.00 O ATOM 361 CG2 THR A 46 114.213 5.192 -2.228 1.00 0.00 C ATOM 0 H THR A 46 112.184 1.803 -1.079 1.00 0.00 H new ATOM 0 HA THR A 46 111.858 4.813 -0.897 1.00 0.00 H new ATOM 0 HB THR A 46 114.086 3.050 -2.065 1.00 0.00 H new ATOM 0 HG1 THR A 46 114.884 3.092 -0.106 1.00 0.00 H new ATOM 0 HG21 THR A 46 115.300 5.196 -2.308 1.00 0.00 H new ATOM 0 HG22 THR A 46 113.776 5.216 -3.226 1.00 0.00 H new ATOM 0 HG23 THR A 46 113.887 6.068 -1.668 1.00 0.00 H new ATOM 369 N CYS A 47 111.010 4.952 -3.217 1.00 0.00 N ATOM 370 CA CYS A 47 110.358 4.972 -4.561 1.00 0.00 C ATOM 371 C CYS A 47 111.319 5.524 -5.618 1.00 0.00 C ATOM 372 O CYS A 47 111.656 6.694 -5.614 1.00 0.00 O ATOM 373 CB CYS A 47 109.152 5.897 -4.400 1.00 0.00 C ATOM 374 SG CYS A 47 108.176 5.889 -5.925 1.00 0.00 S ATOM 0 H CYS A 47 110.962 5.830 -2.701 1.00 0.00 H new ATOM 0 HA CYS A 47 110.070 3.974 -4.891 1.00 0.00 H new ATOM 0 HB2 CYS A 47 108.538 5.569 -3.561 1.00 0.00 H new ATOM 0 HB3 CYS A 47 109.485 6.910 -4.174 1.00 0.00 H new ATOM 0 HG CYS A 47 107.149 6.674 -5.787 1.00 0.00 H new ATOM 380 N VAL A 48 111.758 4.689 -6.525 1.00 0.00 N ATOM 381 CA VAL A 48 112.694 5.154 -7.594 1.00 0.00 C ATOM 382 C VAL A 48 112.185 4.713 -8.972 1.00 0.00 C ATOM 383 O VAL A 48 111.698 3.613 -9.138 1.00 0.00 O ATOM 384 CB VAL A 48 114.041 4.492 -7.270 1.00 0.00 C ATOM 385 CG1 VAL A 48 114.523 4.961 -5.891 1.00 0.00 C ATOM 386 CG2 VAL A 48 113.893 2.961 -7.275 1.00 0.00 C ATOM 0 H VAL A 48 111.508 3.701 -6.572 1.00 0.00 H new ATOM 0 HA VAL A 48 112.779 6.240 -7.623 1.00 0.00 H new ATOM 0 HB VAL A 48 114.771 4.778 -8.028 1.00 0.00 H new ATOM 0 HG11 VAL A 48 115.479 4.491 -5.661 1.00 0.00 H new ATOM 0 HG12 VAL A 48 114.643 6.044 -5.897 1.00 0.00 H new ATOM 0 HG13 VAL A 48 113.790 4.681 -5.135 1.00 0.00 H new ATOM 0 HG21 VAL A 48 114.854 2.502 -7.044 1.00 0.00 H new ATOM 0 HG22 VAL A 48 113.159 2.664 -6.525 1.00 0.00 H new ATOM 0 HG23 VAL A 48 113.560 2.631 -8.259 1.00 0.00 H new ATOM 396 N ASN A 49 112.290 5.572 -9.957 1.00 0.00 N ATOM 397 CA ASN A 49 111.815 5.229 -11.339 1.00 0.00 C ATOM 398 C ASN A 49 110.344 4.794 -11.317 1.00 0.00 C ATOM 399 O ASN A 49 109.937 3.910 -12.049 1.00 0.00 O ATOM 400 CB ASN A 49 112.712 4.080 -11.817 1.00 0.00 C ATOM 401 CG ASN A 49 114.136 4.597 -12.031 1.00 0.00 C ATOM 402 OD1 ASN A 49 114.337 5.767 -12.290 1.00 0.00 O ATOM 403 ND2 ASN A 49 115.139 3.768 -11.932 1.00 0.00 N ATOM 0 H ASN A 49 112.688 6.506 -9.863 1.00 0.00 H new ATOM 0 HA ASN A 49 111.877 6.089 -12.006 1.00 0.00 H new ATOM 0 HB2 ASN A 49 112.713 3.276 -11.082 1.00 0.00 H new ATOM 0 HB3 ASN A 49 112.322 3.663 -12.745 1.00 0.00 H new ATOM 0 HD21 ASN A 49 116.093 4.102 -12.072 1.00 0.00 H new ATOM 0 HD22 ASN A 49 114.969 2.786 -11.715 1.00 0.00 H new ATOM 410 N GLY A 50 109.545 5.417 -10.488 1.00 0.00 N ATOM 411 CA GLY A 50 108.094 5.060 -10.415 1.00 0.00 C ATOM 412 C GLY A 50 107.911 3.644 -9.850 1.00 0.00 C ATOM 413 O GLY A 50 106.840 3.072 -9.944 1.00 0.00 O ATOM 0 H GLY A 50 109.836 6.162 -9.855 1.00 0.00 H new ATOM 0 HA2 GLY A 50 107.569 5.779 -9.786 1.00 0.00 H new ATOM 0 HA3 GLY A 50 107.649 5.121 -11.408 1.00 0.00 H new ATOM 417 N VAL A 51 108.936 3.074 -9.263 1.00 0.00 N ATOM 418 CA VAL A 51 108.806 1.698 -8.692 1.00 0.00 C ATOM 419 C VAL A 51 109.371 1.672 -7.268 1.00 0.00 C ATOM 420 O VAL A 51 110.474 2.122 -7.024 1.00 0.00 O ATOM 421 CB VAL A 51 109.631 0.796 -9.618 1.00 0.00 C ATOM 422 CG1 VAL A 51 109.544 -0.653 -9.134 1.00 0.00 C ATOM 423 CG2 VAL A 51 109.081 0.884 -11.046 1.00 0.00 C ATOM 0 H VAL A 51 109.855 3.502 -9.155 1.00 0.00 H new ATOM 0 HA VAL A 51 107.768 1.369 -8.633 1.00 0.00 H new ATOM 0 HB VAL A 51 110.670 1.124 -9.605 1.00 0.00 H new ATOM 0 HG11 VAL A 51 110.131 -1.293 -9.793 1.00 0.00 H new ATOM 0 HG12 VAL A 51 109.935 -0.722 -8.119 1.00 0.00 H new ATOM 0 HG13 VAL A 51 108.504 -0.978 -9.145 1.00 0.00 H new ATOM 0 HG21 VAL A 51 109.669 0.242 -11.702 1.00 0.00 H new ATOM 0 HG22 VAL A 51 108.041 0.558 -11.056 1.00 0.00 H new ATOM 0 HG23 VAL A 51 109.142 1.914 -11.396 1.00 0.00 H new ATOM 433 N CYS A 52 108.624 1.146 -6.331 1.00 0.00 N ATOM 434 CA CYS A 52 109.116 1.086 -4.922 1.00 0.00 C ATOM 435 C CYS A 52 109.955 -0.177 -4.716 1.00 0.00 C ATOM 436 O CYS A 52 109.447 -1.282 -4.779 1.00 0.00 O ATOM 437 CB CYS A 52 107.852 1.038 -4.062 1.00 0.00 C ATOM 438 SG CYS A 52 108.310 1.098 -2.311 1.00 0.00 S ATOM 0 H CYS A 52 107.694 0.755 -6.481 1.00 0.00 H new ATOM 0 HA CYS A 52 109.748 1.936 -4.665 1.00 0.00 H new ATOM 0 HB2 CYS A 52 107.200 1.877 -4.307 1.00 0.00 H new ATOM 0 HB3 CYS A 52 107.291 0.127 -4.271 1.00 0.00 H new ATOM 0 HG CYS A 52 107.236 1.059 -1.580 1.00 0.00 H new ATOM 444 N TRP A 53 111.233 -0.023 -4.477 1.00 0.00 N ATOM 445 CA TRP A 53 112.104 -1.219 -4.274 1.00 0.00 C ATOM 446 C TRP A 53 112.486 -1.370 -2.799 1.00 0.00 C ATOM 447 O TRP A 53 112.827 -0.415 -2.129 1.00 0.00 O ATOM 448 CB TRP A 53 113.350 -0.952 -5.119 1.00 0.00 C ATOM 449 CG TRP A 53 113.044 -1.206 -6.560 1.00 0.00 C ATOM 450 CD1 TRP A 53 112.630 -0.267 -7.442 1.00 0.00 C ATOM 451 CD2 TRP A 53 113.122 -2.457 -7.303 1.00 0.00 C ATOM 452 NE1 TRP A 53 112.450 -0.861 -8.677 1.00 0.00 N ATOM 453 CE2 TRP A 53 112.740 -2.210 -8.642 1.00 0.00 C ATOM 454 CE3 TRP A 53 113.482 -3.770 -6.948 1.00 0.00 C ATOM 455 CZ2 TRP A 53 112.717 -3.228 -9.596 1.00 0.00 C ATOM 456 CZ3 TRP A 53 113.460 -4.797 -7.905 1.00 0.00 C ATOM 457 CH2 TRP A 53 113.078 -4.526 -9.226 1.00 0.00 C ATOM 0 H TRP A 53 111.709 0.877 -4.414 1.00 0.00 H new ATOM 0 HA TRP A 53 111.598 -2.140 -4.563 1.00 0.00 H new ATOM 0 HB2 TRP A 53 113.680 0.078 -4.983 1.00 0.00 H new ATOM 0 HB3 TRP A 53 114.168 -1.594 -4.792 1.00 0.00 H new ATOM 0 HD1 TRP A 53 112.467 0.777 -7.217 1.00 0.00 H new ATOM 0 HE1 TRP A 53 112.141 -0.363 -9.512 1.00 0.00 H new ATOM 0 HE3 TRP A 53 113.777 -3.989 -5.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 112.422 -3.014 -10.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 113.739 -5.801 -7.622 1.00 0.00 H new ATOM 0 HH2 TRP A 53 113.063 -5.320 -9.958 1.00 0.00 H new ATOM 468 N THR A 54 112.440 -2.575 -2.306 1.00 0.00 N ATOM 469 CA THR A 54 112.804 -2.842 -0.885 1.00 0.00 C ATOM 470 C THR A 54 113.669 -4.104 -0.819 1.00 0.00 C ATOM 471 O THR A 54 113.958 -4.713 -1.833 1.00 0.00 O ATOM 472 CB THR A 54 111.472 -3.046 -0.153 1.00 0.00 C ATOM 473 OG1 THR A 54 111.729 -3.331 1.216 1.00 0.00 O ATOM 474 CG2 THR A 54 110.698 -4.210 -0.779 1.00 0.00 C ATOM 0 H THR A 54 112.161 -3.401 -2.836 1.00 0.00 H new ATOM 0 HA THR A 54 113.375 -2.031 -0.434 1.00 0.00 H new ATOM 0 HB THR A 54 110.875 -2.138 -0.237 1.00 0.00 H new ATOM 0 HG1 THR A 54 110.988 -2.999 1.764 1.00 0.00 H new ATOM 0 HG21 THR A 54 109.754 -4.345 -0.251 1.00 0.00 H new ATOM 0 HG22 THR A 54 110.499 -3.992 -1.828 1.00 0.00 H new ATOM 0 HG23 THR A 54 111.290 -5.122 -0.704 1.00 0.00 H new ATOM 482 N VAL A 55 114.076 -4.506 0.356 1.00 0.00 N ATOM 483 CA VAL A 55 114.916 -5.736 0.471 1.00 0.00 C ATOM 484 C VAL A 55 114.012 -6.972 0.401 1.00 0.00 C ATOM 485 O VAL A 55 112.902 -6.963 0.901 1.00 0.00 O ATOM 486 CB VAL A 55 115.598 -5.635 1.837 1.00 0.00 C ATOM 487 CG1 VAL A 55 116.499 -6.857 2.055 1.00 0.00 C ATOM 488 CG2 VAL A 55 116.443 -4.355 1.894 1.00 0.00 C ATOM 0 H VAL A 55 113.865 -4.039 1.238 1.00 0.00 H new ATOM 0 HA VAL A 55 115.650 -5.822 -0.330 1.00 0.00 H new ATOM 0 HB VAL A 55 114.839 -5.604 2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 55 116.984 -6.783 3.029 1.00 0.00 H new ATOM 0 HG12 VAL A 55 115.896 -7.765 2.018 1.00 0.00 H new ATOM 0 HG13 VAL A 55 117.258 -6.893 1.274 1.00 0.00 H new ATOM 0 HG21 VAL A 55 116.929 -4.283 2.867 1.00 0.00 H new ATOM 0 HG22 VAL A 55 117.201 -4.384 1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 55 115.800 -3.488 1.744 1.00 0.00 H new ATOM 498 N TYR A 56 114.464 -8.025 -0.240 1.00 0.00 N ATOM 499 CA TYR A 56 113.612 -9.246 -0.369 1.00 0.00 C ATOM 500 C TYR A 56 113.704 -10.144 0.879 1.00 0.00 C ATOM 501 O TYR A 56 112.710 -10.705 1.303 1.00 0.00 O ATOM 502 CB TYR A 56 114.146 -9.959 -1.621 1.00 0.00 C ATOM 503 CG TYR A 56 113.489 -11.314 -1.772 1.00 0.00 C ATOM 504 CD1 TYR A 56 112.382 -11.468 -2.613 1.00 0.00 C ATOM 505 CD2 TYR A 56 113.989 -12.409 -1.061 1.00 0.00 C ATOM 506 CE1 TYR A 56 111.773 -12.722 -2.743 1.00 0.00 C ATOM 507 CE2 TYR A 56 113.382 -13.661 -1.188 1.00 0.00 C ATOM 508 CZ TYR A 56 112.273 -13.820 -2.029 1.00 0.00 C ATOM 509 OH TYR A 56 111.674 -15.056 -2.156 1.00 0.00 O ATOM 0 H TYR A 56 115.383 -8.089 -0.677 1.00 0.00 H new ATOM 0 HA TYR A 56 112.554 -8.997 -0.457 1.00 0.00 H new ATOM 0 HB2 TYR A 56 113.951 -9.352 -2.505 1.00 0.00 H new ATOM 0 HB3 TYR A 56 115.227 -10.077 -1.548 1.00 0.00 H new ATOM 0 HD1 TYR A 56 111.998 -10.621 -3.161 1.00 0.00 H new ATOM 0 HD2 TYR A 56 114.845 -12.287 -0.413 1.00 0.00 H new ATOM 0 HE1 TYR A 56 110.919 -12.843 -3.393 1.00 0.00 H new ATOM 0 HE2 TYR A 56 113.768 -14.506 -0.638 1.00 0.00 H new ATOM 0 HH TYR A 56 112.145 -15.707 -1.595 1.00 0.00 H new ATOM 519 N HIS A 57 114.872 -10.308 1.458 1.00 0.00 N ATOM 520 CA HIS A 57 114.976 -11.202 2.656 1.00 0.00 C ATOM 521 C HIS A 57 114.083 -10.696 3.798 1.00 0.00 C ATOM 522 O HIS A 57 113.755 -11.436 4.706 1.00 0.00 O ATOM 523 CB HIS A 57 116.468 -11.234 3.046 1.00 0.00 C ATOM 524 CG HIS A 57 116.942 -9.929 3.646 1.00 0.00 C ATOM 525 ND1 HIS A 57 118.128 -9.316 3.224 1.00 0.00 N ATOM 526 CD2 HIS A 57 116.453 -9.136 4.664 1.00 0.00 C ATOM 527 CE1 HIS A 57 118.313 -8.214 3.980 1.00 0.00 C ATOM 528 NE2 HIS A 57 117.323 -8.081 4.847 1.00 0.00 N ATOM 0 H HIS A 57 115.743 -9.870 1.159 1.00 0.00 H new ATOM 0 HA HIS A 57 114.624 -12.210 2.437 1.00 0.00 H new ATOM 0 HB2 HIS A 57 116.635 -12.040 3.761 1.00 0.00 H new ATOM 0 HB3 HIS A 57 117.065 -11.462 2.163 1.00 0.00 H new ATOM 0 HD1 HIS A 57 118.742 -9.644 2.479 1.00 0.00 H new ATOM 0 HD2 HIS A 57 115.545 -9.311 5.222 1.00 0.00 H new ATOM 0 HE1 HIS A 57 119.150 -7.537 3.890 1.00 0.00 H new ATOM 536 N GLY A 58 113.681 -9.448 3.755 1.00 0.00 N ATOM 537 CA GLY A 58 112.802 -8.904 4.832 1.00 0.00 C ATOM 538 C GLY A 58 111.344 -8.947 4.366 1.00 0.00 C ATOM 539 O GLY A 58 110.545 -9.712 4.871 1.00 0.00 O ATOM 0 H GLY A 58 113.925 -8.785 3.020 1.00 0.00 H new ATOM 0 HA2 GLY A 58 112.921 -9.488 5.744 1.00 0.00 H new ATOM 0 HA3 GLY A 58 113.090 -7.880 5.069 1.00 0.00 H new ATOM 543 N ALA A 59 110.996 -8.127 3.407 1.00 0.00 N ATOM 544 CA ALA A 59 109.587 -8.110 2.898 1.00 0.00 C ATOM 545 C ALA A 59 109.293 -9.374 2.084 1.00 0.00 C ATOM 546 O ALA A 59 108.199 -9.901 2.120 1.00 0.00 O ATOM 547 CB ALA A 59 109.496 -6.869 2.007 1.00 0.00 C ATOM 0 H ALA A 59 111.627 -7.467 2.952 1.00 0.00 H new ATOM 0 HA ALA A 59 108.862 -8.083 3.712 1.00 0.00 H new ATOM 0 HB1 ALA A 59 108.489 -6.789 1.596 1.00 0.00 H new ATOM 0 HB2 ALA A 59 109.719 -5.980 2.597 1.00 0.00 H new ATOM 0 HB3 ALA A 59 110.215 -6.953 1.192 1.00 0.00 H new ATOM 553 N GLY A 60 110.259 -9.856 1.344 1.00 0.00 N ATOM 554 CA GLY A 60 110.039 -11.080 0.513 1.00 0.00 C ATOM 555 C GLY A 60 109.649 -12.262 1.405 1.00 0.00 C ATOM 556 O GLY A 60 108.949 -13.162 0.981 1.00 0.00 O ATOM 0 H GLY A 60 111.194 -9.454 1.279 1.00 0.00 H new ATOM 0 HA2 GLY A 60 109.254 -10.894 -0.220 1.00 0.00 H new ATOM 0 HA3 GLY A 60 110.945 -11.318 -0.043 1.00 0.00 H new ATOM 719 N THR A 72 100.568 -9.226 -5.066 1.00 0.00 N ATOM 720 CA THR A 72 101.722 -10.097 -5.441 1.00 0.00 C ATOM 721 C THR A 72 102.932 -9.229 -5.792 1.00 0.00 C ATOM 722 O THR A 72 102.820 -8.267 -6.527 1.00 0.00 O ATOM 723 CB THR A 72 101.246 -10.878 -6.667 1.00 0.00 C ATOM 724 OG1 THR A 72 99.994 -11.488 -6.381 1.00 0.00 O ATOM 725 CG2 THR A 72 102.272 -11.957 -7.018 1.00 0.00 C ATOM 0 HA THR A 72 102.026 -10.761 -4.632 1.00 0.00 H new ATOM 0 HB THR A 72 101.135 -10.197 -7.511 1.00 0.00 H new ATOM 0 HG1 THR A 72 99.509 -10.947 -5.723 1.00 0.00 H new ATOM 0 HG21 THR A 72 101.931 -12.513 -7.892 1.00 0.00 H new ATOM 0 HG22 THR A 72 103.232 -11.489 -7.237 1.00 0.00 H new ATOM 0 HG23 THR A 72 102.385 -12.639 -6.176 1.00 0.00 H new ATOM 733 N GLN A 73 104.087 -9.559 -5.268 1.00 0.00 N ATOM 734 CA GLN A 73 105.306 -8.745 -5.568 1.00 0.00 C ATOM 735 C GLN A 73 105.597 -8.769 -7.070 1.00 0.00 C ATOM 736 O GLN A 73 105.729 -9.818 -7.671 1.00 0.00 O ATOM 737 CB GLN A 73 106.441 -9.409 -4.787 1.00 0.00 C ATOM 738 CG GLN A 73 106.212 -9.203 -3.288 1.00 0.00 C ATOM 739 CD GLN A 73 107.436 -9.683 -2.509 1.00 0.00 C ATOM 740 OE1 GLN A 73 107.913 -10.782 -2.718 1.00 0.00 O ATOM 741 NE2 GLN A 73 107.969 -8.899 -1.612 1.00 0.00 N ATOM 0 H GLN A 73 104.238 -10.354 -4.647 1.00 0.00 H new ATOM 0 HA GLN A 73 105.182 -7.700 -5.284 1.00 0.00 H new ATOM 0 HB2 GLN A 73 106.482 -10.474 -5.017 1.00 0.00 H new ATOM 0 HB3 GLN A 73 107.399 -8.982 -5.082 1.00 0.00 H new ATOM 0 HG2 GLN A 73 106.027 -8.149 -3.080 1.00 0.00 H new ATOM 0 HG3 GLN A 73 105.327 -9.752 -2.967 1.00 0.00 H new ATOM 0 HE21 GLN A 73 107.568 -7.977 -1.437 1.00 0.00 H new ATOM 0 HE22 GLN A 73 108.786 -9.208 -1.086 1.00 0.00 H new ATOM 750 N MET A 74 105.690 -7.614 -7.677 1.00 0.00 N ATOM 751 CA MET A 74 105.965 -7.551 -9.146 1.00 0.00 C ATOM 752 C MET A 74 107.356 -8.113 -9.457 1.00 0.00 C ATOM 753 O MET A 74 107.545 -8.801 -10.441 1.00 0.00 O ATOM 754 CB MET A 74 105.895 -6.064 -9.506 1.00 0.00 C ATOM 755 CG MET A 74 106.096 -5.890 -11.013 1.00 0.00 C ATOM 756 SD MET A 74 104.647 -6.528 -11.892 1.00 0.00 S ATOM 757 CE MET A 74 105.504 -7.038 -13.402 1.00 0.00 C ATOM 0 H MET A 74 105.587 -6.709 -7.218 1.00 0.00 H new ATOM 0 HA MET A 74 105.251 -8.143 -9.719 1.00 0.00 H new ATOM 0 HB2 MET A 74 104.931 -5.652 -9.208 1.00 0.00 H new ATOM 0 HB3 MET A 74 106.660 -5.511 -8.961 1.00 0.00 H new ATOM 0 HG2 MET A 74 106.245 -4.837 -11.252 1.00 0.00 H new ATOM 0 HG3 MET A 74 106.993 -6.420 -11.335 1.00 0.00 H new ATOM 0 HE1 MET A 74 104.786 -7.469 -14.100 1.00 0.00 H new ATOM 0 HE2 MET A 74 105.980 -6.171 -13.860 1.00 0.00 H new ATOM 0 HE3 MET A 74 106.262 -7.781 -13.157 1.00 0.00 H new ATOM 767 N TYR A 75 108.328 -7.816 -8.631 1.00 0.00 N ATOM 768 CA TYR A 75 109.711 -8.327 -8.887 1.00 0.00 C ATOM 769 C TYR A 75 110.223 -9.107 -7.672 1.00 0.00 C ATOM 770 O TYR A 75 110.094 -8.666 -6.547 1.00 0.00 O ATOM 771 CB TYR A 75 110.568 -7.076 -9.117 1.00 0.00 C ATOM 772 CG TYR A 75 110.005 -6.268 -10.266 1.00 0.00 C ATOM 773 CD1 TYR A 75 109.879 -6.846 -11.536 1.00 0.00 C ATOM 774 CD2 TYR A 75 109.603 -4.943 -10.057 1.00 0.00 C ATOM 775 CE1 TYR A 75 109.354 -6.097 -12.595 1.00 0.00 C ATOM 776 CE2 TYR A 75 109.078 -4.193 -11.116 1.00 0.00 C ATOM 777 CZ TYR A 75 108.954 -4.770 -12.386 1.00 0.00 C ATOM 778 OH TYR A 75 108.435 -4.034 -13.431 1.00 0.00 O ATOM 0 H TYR A 75 108.225 -7.244 -7.793 1.00 0.00 H new ATOM 0 HA TYR A 75 109.744 -9.005 -9.740 1.00 0.00 H new ATOM 0 HB2 TYR A 75 110.591 -6.469 -8.212 1.00 0.00 H new ATOM 0 HB3 TYR A 75 111.597 -7.364 -9.334 1.00 0.00 H new ATOM 0 HD1 TYR A 75 110.187 -7.869 -11.697 1.00 0.00 H new ATOM 0 HD2 TYR A 75 109.698 -4.499 -9.077 1.00 0.00 H new ATOM 0 HE1 TYR A 75 109.257 -6.542 -13.574 1.00 0.00 H new ATOM 0 HE2 TYR A 75 108.769 -3.171 -10.954 1.00 0.00 H new ATOM 0 HH TYR A 75 107.978 -4.633 -14.058 1.00 0.00 H new ATOM 788 N THR A 76 110.807 -10.259 -7.893 1.00 0.00 N ATOM 789 CA THR A 76 111.333 -11.067 -6.752 1.00 0.00 C ATOM 790 C THR A 76 112.594 -11.827 -7.173 1.00 0.00 C ATOM 791 O THR A 76 112.655 -12.404 -8.244 1.00 0.00 O ATOM 792 CB THR A 76 110.208 -12.045 -6.403 1.00 0.00 C ATOM 793 OG1 THR A 76 109.652 -12.571 -7.600 1.00 0.00 O ATOM 794 CG2 THR A 76 109.122 -11.318 -5.607 1.00 0.00 C ATOM 0 H THR A 76 110.942 -10.674 -8.815 1.00 0.00 H new ATOM 0 HA THR A 76 111.609 -10.444 -5.902 1.00 0.00 H new ATOM 0 HB THR A 76 110.609 -12.860 -5.800 1.00 0.00 H new ATOM 0 HG1 THR A 76 108.933 -13.199 -7.378 1.00 0.00 H new ATOM 0 HG21 THR A 76 108.323 -12.017 -5.360 1.00 0.00 H new ATOM 0 HG22 THR A 76 109.551 -10.918 -4.688 1.00 0.00 H new ATOM 0 HG23 THR A 76 108.718 -10.501 -6.205 1.00 0.00 H new ATOM 802 N ASN A 77 113.600 -11.831 -6.335 1.00 0.00 N ATOM 803 CA ASN A 77 114.866 -12.551 -6.672 1.00 0.00 C ATOM 804 C ASN A 77 115.688 -12.789 -5.402 1.00 0.00 C ATOM 805 O ASN A 77 116.289 -11.875 -4.866 1.00 0.00 O ATOM 806 CB ASN A 77 115.610 -11.615 -7.627 1.00 0.00 C ATOM 807 CG ASN A 77 116.883 -12.299 -8.133 1.00 0.00 C ATOM 808 OD1 ASN A 77 117.369 -13.235 -7.528 1.00 0.00 O ATOM 809 ND2 ASN A 77 117.447 -11.867 -9.228 1.00 0.00 N ATOM 0 H ASN A 77 113.599 -11.364 -5.428 1.00 0.00 H new ATOM 0 HA ASN A 77 114.683 -13.527 -7.120 1.00 0.00 H new ATOM 0 HB2 ASN A 77 114.968 -11.352 -8.468 1.00 0.00 H new ATOM 0 HB3 ASN A 77 115.863 -10.686 -7.117 1.00 0.00 H new ATOM 0 HD21 ASN A 77 118.295 -12.315 -9.576 1.00 0.00 H new ATOM 0 HD22 ASN A 77 117.040 -11.082 -9.736 1.00 0.00 H new ATOM 816 N VAL A 78 115.715 -14.005 -4.915 1.00 0.00 N ATOM 817 CA VAL A 78 116.495 -14.300 -3.674 1.00 0.00 C ATOM 818 C VAL A 78 118.000 -14.165 -3.947 1.00 0.00 C ATOM 819 O VAL A 78 118.744 -13.670 -3.122 1.00 0.00 O ATOM 820 CB VAL A 78 116.128 -15.746 -3.293 1.00 0.00 C ATOM 821 CG1 VAL A 78 117.001 -16.230 -2.118 1.00 0.00 C ATOM 822 CG2 VAL A 78 114.651 -15.808 -2.884 1.00 0.00 C ATOM 0 H VAL A 78 115.231 -14.805 -5.323 1.00 0.00 H new ATOM 0 HA VAL A 78 116.261 -13.606 -2.867 1.00 0.00 H new ATOM 0 HB VAL A 78 116.303 -16.391 -4.154 1.00 0.00 H new ATOM 0 HG11 VAL A 78 116.729 -17.254 -1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 78 118.052 -16.195 -2.407 1.00 0.00 H new ATOM 0 HG13 VAL A 78 116.840 -15.584 -1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 78 114.391 -16.832 -2.614 1.00 0.00 H new ATOM 0 HG22 VAL A 78 114.482 -15.153 -2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 78 114.029 -15.483 -3.718 1.00 0.00 H new ATOM 832 N ASP A 79 118.449 -14.617 -5.090 1.00 0.00 N ATOM 833 CA ASP A 79 119.909 -14.533 -5.413 1.00 0.00 C ATOM 834 C ASP A 79 120.395 -13.081 -5.357 1.00 0.00 C ATOM 835 O ASP A 79 121.482 -12.802 -4.886 1.00 0.00 O ATOM 836 CB ASP A 79 120.038 -15.083 -6.836 1.00 0.00 C ATOM 837 CG ASP A 79 121.498 -15.448 -7.112 1.00 0.00 C ATOM 838 OD1 ASP A 79 122.367 -14.753 -6.611 1.00 0.00 O ATOM 839 OD2 ASP A 79 121.722 -16.416 -7.820 1.00 0.00 O ATOM 0 H ASP A 79 117.869 -15.041 -5.815 1.00 0.00 H new ATOM 0 HA ASP A 79 120.513 -15.094 -4.700 1.00 0.00 H new ATOM 0 HB2 ASP A 79 119.404 -15.961 -6.957 1.00 0.00 H new ATOM 0 HB3 ASP A 79 119.695 -14.341 -7.557 1.00 0.00 H new ATOM 844 N GLN A 80 119.600 -12.159 -5.837 1.00 0.00 N ATOM 845 CA GLN A 80 120.016 -10.724 -5.818 1.00 0.00 C ATOM 846 C GLN A 80 119.385 -9.975 -4.632 1.00 0.00 C ATOM 847 O GLN A 80 119.706 -8.828 -4.384 1.00 0.00 O ATOM 848 CB GLN A 80 119.505 -10.152 -7.143 1.00 0.00 C ATOM 849 CG GLN A 80 119.985 -8.705 -7.297 1.00 0.00 C ATOM 850 CD GLN A 80 119.518 -8.143 -8.645 1.00 0.00 C ATOM 851 OE1 GLN A 80 119.061 -8.875 -9.502 1.00 0.00 O ATOM 852 NE2 GLN A 80 119.614 -6.862 -8.869 1.00 0.00 N ATOM 0 H GLN A 80 118.681 -12.338 -6.241 1.00 0.00 H new ATOM 0 HA GLN A 80 121.095 -10.619 -5.705 1.00 0.00 H new ATOM 0 HB2 GLN A 80 119.866 -10.756 -7.975 1.00 0.00 H new ATOM 0 HB3 GLN A 80 118.416 -10.190 -7.171 1.00 0.00 H new ATOM 0 HG2 GLN A 80 119.594 -8.094 -6.483 1.00 0.00 H new ATOM 0 HG3 GLN A 80 121.072 -8.664 -7.233 1.00 0.00 H new ATOM 0 HE21 GLN A 80 119.997 -6.246 -8.152 1.00 0.00 H new ATOM 0 HE22 GLN A 80 119.306 -6.476 -9.761 1.00 0.00 H new ATOM 861 N ASP A 81 118.483 -10.600 -3.898 1.00 0.00 N ATOM 862 CA ASP A 81 117.829 -9.907 -2.738 1.00 0.00 C ATOM 863 C ASP A 81 117.177 -8.607 -3.217 1.00 0.00 C ATOM 864 O ASP A 81 117.242 -7.586 -2.558 1.00 0.00 O ATOM 865 CB ASP A 81 118.952 -9.614 -1.734 1.00 0.00 C ATOM 866 CG ASP A 81 118.360 -9.375 -0.338 1.00 0.00 C ATOM 867 OD1 ASP A 81 117.194 -9.667 -0.117 1.00 0.00 O ATOM 868 OD2 ASP A 81 119.170 -8.839 0.643 1.00 0.00 O ATOM 0 H ASP A 81 118.174 -11.559 -4.055 1.00 0.00 H new ATOM 0 HA ASP A 81 117.048 -10.516 -2.284 1.00 0.00 H new ATOM 0 HB2 ASP A 81 119.651 -10.450 -1.703 1.00 0.00 H new ATOM 0 HB3 ASP A 81 119.517 -8.738 -2.053 1.00 0.00 H new ATOM 874 N LEU A 82 116.558 -8.645 -4.369 1.00 0.00 N ATOM 875 CA LEU A 82 115.906 -7.422 -4.921 1.00 0.00 C ATOM 876 C LEU A 82 114.405 -7.658 -5.092 1.00 0.00 C ATOM 877 O LEU A 82 113.977 -8.666 -5.622 1.00 0.00 O ATOM 878 CB LEU A 82 116.573 -7.204 -6.279 1.00 0.00 C ATOM 879 CG LEU A 82 116.301 -5.779 -6.761 1.00 0.00 C ATOM 880 CD1 LEU A 82 117.408 -4.849 -6.256 1.00 0.00 C ATOM 881 CD2 LEU A 82 116.275 -5.758 -8.292 1.00 0.00 C ATOM 0 H LEU A 82 116.476 -9.477 -4.954 1.00 0.00 H new ATOM 0 HA LEU A 82 116.019 -6.558 -4.266 1.00 0.00 H new ATOM 0 HB2 LEU A 82 117.647 -7.373 -6.199 1.00 0.00 H new ATOM 0 HB3 LEU A 82 116.190 -7.923 -7.003 1.00 0.00 H new ATOM 0 HG LEU A 82 115.339 -5.440 -6.375 1.00 0.00 H new ATOM 0 HD11 LEU A 82 117.214 -3.833 -6.600 1.00 0.00 H new ATOM 0 HD12 LEU A 82 117.429 -4.866 -5.166 1.00 0.00 H new ATOM 0 HD13 LEU A 82 118.370 -5.185 -6.642 1.00 0.00 H new ATOM 0 HD21 LEU A 82 116.081 -4.743 -8.639 1.00 0.00 H new ATOM 0 HD22 LEU A 82 117.237 -6.095 -8.677 1.00 0.00 H new ATOM 0 HD23 LEU A 82 115.488 -6.421 -8.652 1.00 0.00 H new ATOM 893 N VAL A 83 113.607 -6.734 -4.629 1.00 0.00 N ATOM 894 CA VAL A 83 112.125 -6.882 -4.735 1.00 0.00 C ATOM 895 C VAL A 83 111.469 -5.499 -4.672 1.00 0.00 C ATOM 896 O VAL A 83 112.078 -4.548 -4.220 1.00 0.00 O ATOM 897 CB VAL A 83 111.739 -7.744 -3.524 1.00 0.00 C ATOM 898 CG1 VAL A 83 112.178 -7.060 -2.225 1.00 0.00 C ATOM 899 CG2 VAL A 83 110.227 -7.955 -3.491 1.00 0.00 C ATOM 0 H VAL A 83 113.921 -5.875 -4.178 1.00 0.00 H new ATOM 0 HA VAL A 83 111.800 -7.339 -5.670 1.00 0.00 H new ATOM 0 HB VAL A 83 112.240 -8.708 -3.614 1.00 0.00 H new ATOM 0 HG11 VAL A 83 111.898 -7.681 -1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 83 113.259 -6.922 -2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 83 111.689 -6.089 -2.142 1.00 0.00 H new ATOM 0 HG21 VAL A 83 109.964 -8.567 -2.629 1.00 0.00 H new ATOM 0 HG22 VAL A 83 109.726 -6.990 -3.417 1.00 0.00 H new ATOM 0 HG23 VAL A 83 109.910 -8.459 -4.404 1.00 0.00 H new ATOM 909 N GLY A 84 110.245 -5.370 -5.124 1.00 0.00 N ATOM 910 CA GLY A 84 109.575 -4.034 -5.081 1.00 0.00 C ATOM 911 C GLY A 84 108.138 -4.139 -5.597 1.00 0.00 C ATOM 912 O GLY A 84 107.740 -5.137 -6.170 1.00 0.00 O ATOM 0 H GLY A 84 109.685 -6.126 -5.518 1.00 0.00 H new ATOM 0 HA2 GLY A 84 109.574 -3.654 -4.060 1.00 0.00 H new ATOM 0 HA3 GLY A 84 110.134 -3.320 -5.686 1.00 0.00 H new ATOM 916 N TRP A 85 107.362 -3.102 -5.397 1.00 0.00 N ATOM 917 CA TRP A 85 105.945 -3.107 -5.867 1.00 0.00 C ATOM 918 C TRP A 85 105.737 -2.004 -6.911 1.00 0.00 C ATOM 919 O TRP A 85 106.452 -1.020 -6.933 1.00 0.00 O ATOM 920 CB TRP A 85 105.109 -2.810 -4.622 1.00 0.00 C ATOM 921 CG TRP A 85 105.253 -3.919 -3.630 1.00 0.00 C ATOM 922 CD1 TRP A 85 104.659 -5.131 -3.728 1.00 0.00 C ATOM 923 CD2 TRP A 85 106.021 -3.939 -2.392 1.00 0.00 C ATOM 924 NE1 TRP A 85 105.014 -5.893 -2.629 1.00 0.00 N ATOM 925 CE2 TRP A 85 105.853 -5.202 -1.778 1.00 0.00 C ATOM 926 CE3 TRP A 85 106.840 -2.993 -1.750 1.00 0.00 C ATOM 927 CZ2 TRP A 85 106.475 -5.516 -0.568 1.00 0.00 C ATOM 928 CZ3 TRP A 85 107.468 -3.305 -0.532 1.00 0.00 C ATOM 929 CH2 TRP A 85 107.285 -4.565 0.056 1.00 0.00 C ATOM 0 H TRP A 85 107.654 -2.246 -4.924 1.00 0.00 H new ATOM 0 HA TRP A 85 105.670 -4.055 -6.330 1.00 0.00 H new ATOM 0 HB2 TRP A 85 105.429 -1.869 -4.176 1.00 0.00 H new ATOM 0 HB3 TRP A 85 104.061 -2.692 -4.898 1.00 0.00 H new ATOM 0 HD1 TRP A 85 104.013 -5.451 -4.532 1.00 0.00 H new ATOM 0 HE1 TRP A 85 104.695 -6.848 -2.467 1.00 0.00 H new ATOM 0 HE3 TRP A 85 106.987 -2.020 -2.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 106.331 -6.487 -0.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 108.094 -2.571 -0.047 1.00 0.00 H new ATOM 0 HH2 TRP A 85 107.771 -4.800 0.992 1.00 0.00 H new ATOM 940 N GLN A 86 104.762 -2.160 -7.770 1.00 0.00 N ATOM 941 CA GLN A 86 104.500 -1.117 -8.809 1.00 0.00 C ATOM 942 C GLN A 86 103.785 0.084 -8.183 1.00 0.00 C ATOM 943 O GLN A 86 103.017 -0.059 -7.249 1.00 0.00 O ATOM 944 CB GLN A 86 103.601 -1.797 -9.843 1.00 0.00 C ATOM 945 CG GLN A 86 104.457 -2.638 -10.791 1.00 0.00 C ATOM 946 CD GLN A 86 105.114 -1.724 -11.828 1.00 0.00 C ATOM 947 OE1 GLN A 86 104.592 -0.675 -12.148 1.00 0.00 O ATOM 948 NE2 GLN A 86 106.246 -2.080 -12.370 1.00 0.00 N ATOM 0 H GLN A 86 104.136 -2.965 -7.797 1.00 0.00 H new ATOM 0 HA GLN A 86 105.421 -0.742 -9.257 1.00 0.00 H new ATOM 0 HB2 GLN A 86 102.867 -2.428 -9.343 1.00 0.00 H new ATOM 0 HB3 GLN A 86 103.046 -1.047 -10.406 1.00 0.00 H new ATOM 0 HG2 GLN A 86 105.220 -3.176 -10.229 1.00 0.00 H new ATOM 0 HG3 GLN A 86 103.840 -3.386 -11.288 1.00 0.00 H new ATOM 0 HE21 GLN A 86 106.685 -2.961 -12.102 1.00 0.00 H new ATOM 0 HE22 GLN A 86 106.692 -1.478 -13.062 1.00 0.00 H new ATOM 957 N ALA A 87 104.031 1.265 -8.692 1.00 0.00 N ATOM 958 CA ALA A 87 103.369 2.481 -8.132 1.00 0.00 C ATOM 959 C ALA A 87 102.395 3.078 -9.161 1.00 0.00 C ATOM 960 O ALA A 87 102.519 2.819 -10.341 1.00 0.00 O ATOM 961 CB ALA A 87 104.511 3.457 -7.846 1.00 0.00 C ATOM 0 H ALA A 87 104.663 1.439 -9.473 1.00 0.00 H new ATOM 0 HA ALA A 87 102.788 2.259 -7.237 1.00 0.00 H new ATOM 0 HB1 ALA A 87 104.106 4.380 -7.431 1.00 0.00 H new ATOM 0 HB2 ALA A 87 105.201 3.010 -7.131 1.00 0.00 H new ATOM 0 HB3 ALA A 87 105.041 3.678 -8.772 1.00 0.00 H new ATOM 967 N PRO A 88 101.449 3.862 -8.686 1.00 0.00 N ATOM 968 CA PRO A 88 100.460 4.484 -9.603 1.00 0.00 C ATOM 969 C PRO A 88 101.124 5.588 -10.444 1.00 0.00 C ATOM 970 O PRO A 88 102.142 6.124 -10.054 1.00 0.00 O ATOM 971 CB PRO A 88 99.413 5.074 -8.660 1.00 0.00 C ATOM 972 CG PRO A 88 100.137 5.298 -7.371 1.00 0.00 C ATOM 973 CD PRO A 88 101.210 4.245 -7.283 1.00 0.00 C ATOM 0 HA PRO A 88 100.034 3.776 -10.314 1.00 0.00 H new ATOM 0 HB2 PRO A 88 99.009 6.007 -9.053 1.00 0.00 H new ATOM 0 HB3 PRO A 88 98.572 4.393 -8.528 1.00 0.00 H new ATOM 0 HG2 PRO A 88 100.573 6.297 -7.341 1.00 0.00 H new ATOM 0 HG3 PRO A 88 99.453 5.224 -6.526 1.00 0.00 H new ATOM 0 HD2 PRO A 88 102.114 4.635 -6.816 1.00 0.00 H new ATOM 0 HD3 PRO A 88 100.885 3.393 -6.686 1.00 0.00 H new ATOM 981 N PRO A 89 100.529 5.896 -11.578 1.00 0.00 N ATOM 982 CA PRO A 89 101.094 6.949 -12.459 1.00 0.00 C ATOM 983 C PRO A 89 100.850 8.336 -11.858 1.00 0.00 C ATOM 984 O PRO A 89 99.987 8.513 -11.018 1.00 0.00 O ATOM 985 CB PRO A 89 100.323 6.780 -13.766 1.00 0.00 C ATOM 986 CG PRO A 89 99.033 6.132 -13.376 1.00 0.00 C ATOM 987 CD PRO A 89 99.299 5.312 -12.143 1.00 0.00 C ATOM 0 HA PRO A 89 102.172 6.860 -12.593 1.00 0.00 H new ATOM 0 HB2 PRO A 89 100.151 7.742 -14.249 1.00 0.00 H new ATOM 0 HB3 PRO A 89 100.877 6.162 -14.473 1.00 0.00 H new ATOM 0 HG2 PRO A 89 98.269 6.884 -13.180 1.00 0.00 H new ATOM 0 HG3 PRO A 89 98.660 5.502 -14.183 1.00 0.00 H new ATOM 0 HD2 PRO A 89 98.470 5.372 -11.438 1.00 0.00 H new ATOM 0 HD3 PRO A 89 99.434 4.258 -12.387 1.00 0.00 H new ATOM 995 N GLY A 90 101.605 9.317 -12.282 1.00 0.00 N ATOM 996 CA GLY A 90 101.427 10.696 -11.740 1.00 0.00 C ATOM 997 C GLY A 90 102.132 10.814 -10.386 1.00 0.00 C ATOM 998 O GLY A 90 101.749 11.609 -9.548 1.00 0.00 O ATOM 0 H GLY A 90 102.340 9.221 -12.983 1.00 0.00 H new ATOM 0 HA2 GLY A 90 101.835 11.427 -12.438 1.00 0.00 H new ATOM 0 HA3 GLY A 90 100.366 10.919 -11.629 1.00 0.00 H new ATOM 1002 N ALA A 91 103.159 10.031 -10.168 1.00 0.00 N ATOM 1003 CA ALA A 91 103.895 10.094 -8.870 1.00 0.00 C ATOM 1004 C ALA A 91 105.328 10.582 -9.100 1.00 0.00 C ATOM 1005 O ALA A 91 105.850 10.502 -10.196 1.00 0.00 O ATOM 1006 CB ALA A 91 103.893 8.658 -8.341 1.00 0.00 C ATOM 0 H ALA A 91 103.520 9.349 -10.836 1.00 0.00 H new ATOM 0 HA ALA A 91 103.433 10.786 -8.166 1.00 0.00 H new ATOM 0 HB1 ALA A 91 104.417 8.621 -7.386 1.00 0.00 H new ATOM 0 HB2 ALA A 91 102.865 8.322 -8.204 1.00 0.00 H new ATOM 0 HB3 ALA A 91 104.395 8.006 -9.056 1.00 0.00 H new ATOM 1012 N ARG A 92 105.963 11.089 -8.074 1.00 0.00 N ATOM 1013 CA ARG A 92 107.363 11.587 -8.224 1.00 0.00 C ATOM 1014 C ARG A 92 108.349 10.417 -8.153 1.00 0.00 C ATOM 1015 O ARG A 92 108.274 9.586 -7.267 1.00 0.00 O ATOM 1016 CB ARG A 92 107.574 12.539 -7.047 1.00 0.00 C ATOM 1017 CG ARG A 92 108.811 13.402 -7.301 1.00 0.00 C ATOM 1018 CD ARG A 92 108.475 14.481 -8.333 1.00 0.00 C ATOM 1019 NE ARG A 92 109.649 15.405 -8.325 1.00 0.00 N ATOM 1020 CZ ARG A 92 110.704 15.179 -9.082 1.00 0.00 C ATOM 1021 NH1 ARG A 92 110.859 14.042 -9.720 1.00 0.00 N ATOM 1022 NH2 ARG A 92 111.617 16.104 -9.198 1.00 0.00 N ATOM 0 H ARG A 92 105.571 11.180 -7.137 1.00 0.00 H new ATOM 0 HA ARG A 92 107.525 12.082 -9.181 1.00 0.00 H new ATOM 0 HB2 ARG A 92 106.697 13.173 -6.917 1.00 0.00 H new ATOM 0 HB3 ARG A 92 107.697 11.971 -6.125 1.00 0.00 H new ATOM 0 HG2 ARG A 92 109.143 13.864 -6.371 1.00 0.00 H new ATOM 0 HG3 ARG A 92 109.633 12.783 -7.661 1.00 0.00 H new ATOM 0 HD2 ARG A 92 108.321 14.047 -9.321 1.00 0.00 H new ATOM 0 HD3 ARG A 92 107.557 15.007 -8.069 1.00 0.00 H new ATOM 0 HE ARG A 92 109.634 16.227 -7.722 1.00 0.00 H new ATOM 0 HH11 ARG A 92 110.154 13.310 -9.636 1.00 0.00 H new ATOM 0 HH12 ARG A 92 111.684 13.891 -10.300 1.00 0.00 H new ATOM 0 HH21 ARG A 92 111.510 16.991 -8.706 1.00 0.00 H new ATOM 0 HH22 ARG A 92 112.438 15.940 -9.781 1.00 0.00 H new ATOM 1036 N SER A 93 109.269 10.348 -9.081 1.00 0.00 N ATOM 1037 CA SER A 93 110.265 9.233 -9.078 1.00 0.00 C ATOM 1038 C SER A 93 111.676 9.784 -8.853 1.00 0.00 C ATOM 1039 O SER A 93 111.980 10.902 -9.224 1.00 0.00 O ATOM 1040 CB SER A 93 110.151 8.597 -10.461 1.00 0.00 C ATOM 1041 OG SER A 93 108.890 7.950 -10.579 1.00 0.00 O ATOM 0 H SER A 93 109.374 11.018 -9.843 1.00 0.00 H new ATOM 0 HA SER A 93 110.076 8.513 -8.282 1.00 0.00 H new ATOM 0 HB2 SER A 93 110.255 9.359 -11.234 1.00 0.00 H new ATOM 0 HB3 SER A 93 110.957 7.878 -10.611 1.00 0.00 H new ATOM 0 HG SER A 93 108.746 7.682 -11.510 1.00 0.00 H new ATOM 1047 N LEU A 94 112.537 9.006 -8.247 1.00 0.00 N ATOM 1048 CA LEU A 94 113.932 9.477 -7.991 1.00 0.00 C ATOM 1049 C LEU A 94 114.856 9.055 -9.137 1.00 0.00 C ATOM 1050 O LEU A 94 114.797 7.937 -9.614 1.00 0.00 O ATOM 1051 CB LEU A 94 114.350 8.793 -6.688 1.00 0.00 C ATOM 1052 CG LEU A 94 113.431 9.246 -5.551 1.00 0.00 C ATOM 1053 CD1 LEU A 94 113.766 8.463 -4.279 1.00 0.00 C ATOM 1054 CD2 LEU A 94 113.633 10.742 -5.296 1.00 0.00 C ATOM 0 H LEU A 94 112.333 8.062 -7.918 1.00 0.00 H new ATOM 0 HA LEU A 94 113.991 10.563 -7.920 1.00 0.00 H new ATOM 0 HB2 LEU A 94 114.298 7.710 -6.801 1.00 0.00 H new ATOM 0 HB3 LEU A 94 115.385 9.040 -6.452 1.00 0.00 H new ATOM 0 HG LEU A 94 112.393 9.061 -5.829 1.00 0.00 H new ATOM 0 HD11 LEU A 94 113.111 8.786 -3.470 1.00 0.00 H new ATOM 0 HD12 LEU A 94 113.622 7.398 -4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 94 114.804 8.647 -4.001 1.00 0.00 H new ATOM 0 HD21 LEU A 94 112.979 11.065 -4.486 1.00 0.00 H new ATOM 0 HD22 LEU A 94 114.671 10.927 -5.019 1.00 0.00 H new ATOM 0 HD23 LEU A 94 113.394 11.301 -6.201 1.00 0.00 H new ATOM 1066 N THR A 95 115.709 9.945 -9.578 1.00 0.00 N ATOM 1067 CA THR A 95 116.645 9.608 -10.693 1.00 0.00 C ATOM 1068 C THR A 95 117.861 8.835 -10.157 1.00 0.00 C ATOM 1069 O THR A 95 118.184 8.936 -8.991 1.00 0.00 O ATOM 1070 CB THR A 95 117.079 10.960 -11.266 1.00 0.00 C ATOM 1071 OG1 THR A 95 117.681 11.736 -10.241 1.00 0.00 O ATOM 1072 CG2 THR A 95 115.858 11.697 -11.819 1.00 0.00 C ATOM 0 H THR A 95 115.797 10.893 -9.213 1.00 0.00 H new ATOM 0 HA THR A 95 116.177 8.975 -11.446 1.00 0.00 H new ATOM 0 HB THR A 95 117.798 10.801 -12.070 1.00 0.00 H new ATOM 0 HG1 THR A 95 118.612 11.927 -10.480 1.00 0.00 H new ATOM 0 HG21 THR A 95 116.168 12.659 -12.227 1.00 0.00 H new ATOM 0 HG22 THR A 95 115.399 11.100 -12.607 1.00 0.00 H new ATOM 0 HG23 THR A 95 115.136 11.858 -11.018 1.00 0.00 H new ATOM 1080 N PRO A 96 118.506 8.083 -11.027 1.00 0.00 N ATOM 1081 CA PRO A 96 119.696 7.301 -10.606 1.00 0.00 C ATOM 1082 C PRO A 96 120.898 8.228 -10.401 1.00 0.00 C ATOM 1083 O PRO A 96 120.901 9.358 -10.853 1.00 0.00 O ATOM 1084 CB PRO A 96 119.937 6.352 -11.776 1.00 0.00 C ATOM 1085 CG PRO A 96 119.331 7.032 -12.962 1.00 0.00 C ATOM 1086 CD PRO A 96 118.200 7.888 -12.455 1.00 0.00 C ATOM 0 HA PRO A 96 119.550 6.776 -9.662 1.00 0.00 H new ATOM 0 HB2 PRO A 96 121.002 6.174 -11.926 1.00 0.00 H new ATOM 0 HB3 PRO A 96 119.473 5.382 -11.598 1.00 0.00 H new ATOM 0 HG2 PRO A 96 120.074 7.641 -13.477 1.00 0.00 H new ATOM 0 HG3 PRO A 96 118.966 6.299 -13.681 1.00 0.00 H new ATOM 0 HD2 PRO A 96 118.152 8.839 -12.985 1.00 0.00 H new ATOM 0 HD3 PRO A 96 117.237 7.397 -12.592 1.00 0.00 H new ATOM 1094 N CYS A 97 121.916 7.758 -9.726 1.00 0.00 N ATOM 1095 CA CYS A 97 123.121 8.607 -9.490 1.00 0.00 C ATOM 1096 C CYS A 97 124.103 8.475 -10.657 1.00 0.00 C ATOM 1097 O CYS A 97 124.537 7.390 -10.994 1.00 0.00 O ATOM 1098 CB CYS A 97 123.748 8.071 -8.204 1.00 0.00 C ATOM 1099 SG CYS A 97 125.123 9.141 -7.711 1.00 0.00 S ATOM 0 H CYS A 97 121.964 6.820 -9.327 1.00 0.00 H new ATOM 0 HA CYS A 97 122.864 9.663 -9.407 1.00 0.00 H new ATOM 0 HB2 CYS A 97 123.001 8.032 -7.411 1.00 0.00 H new ATOM 0 HB3 CYS A 97 124.103 7.052 -8.357 1.00 0.00 H new ATOM 0 HG CYS A 97 124.732 9.941 -6.764 1.00 0.00 H new ATOM 1104 N THR A 98 124.456 9.576 -11.269 1.00 0.00 N ATOM 1105 CA THR A 98 125.414 9.532 -12.413 1.00 0.00 C ATOM 1106 C THR A 98 126.492 10.604 -12.231 1.00 0.00 C ATOM 1107 O THR A 98 126.618 11.512 -13.032 1.00 0.00 O ATOM 1108 CB THR A 98 124.566 9.814 -13.662 1.00 0.00 C ATOM 1109 OG1 THR A 98 125.406 9.823 -14.806 1.00 0.00 O ATOM 1110 CG2 THR A 98 123.867 11.175 -13.532 1.00 0.00 C ATOM 0 H THR A 98 124.120 10.507 -11.024 1.00 0.00 H new ATOM 0 HA THR A 98 125.928 8.574 -12.488 1.00 0.00 H new ATOM 0 HB THR A 98 123.810 9.036 -13.763 1.00 0.00 H new ATOM 0 HG1 THR A 98 126.086 10.522 -14.707 1.00 0.00 H new ATOM 0 HG21 THR A 98 123.269 11.364 -14.424 1.00 0.00 H new ATOM 0 HG22 THR A 98 123.219 11.169 -12.655 1.00 0.00 H new ATOM 0 HG23 THR A 98 124.616 11.960 -13.425 1.00 0.00 H new ATOM 1118 N CYS A 99 127.260 10.509 -11.175 1.00 0.00 N ATOM 1119 CA CYS A 99 128.326 11.530 -10.928 1.00 0.00 C ATOM 1120 C CYS A 99 129.576 10.911 -10.276 1.00 0.00 C ATOM 1121 O CYS A 99 130.486 11.620 -9.892 1.00 0.00 O ATOM 1122 CB CYS A 99 127.681 12.557 -9.984 1.00 0.00 C ATOM 1123 SG CYS A 99 127.127 11.750 -8.453 1.00 0.00 S ATOM 0 H CYS A 99 127.196 9.771 -10.474 1.00 0.00 H new ATOM 0 HA CYS A 99 128.669 11.975 -11.862 1.00 0.00 H new ATOM 0 HB2 CYS A 99 128.397 13.344 -9.749 1.00 0.00 H new ATOM 0 HB3 CYS A 99 126.834 13.033 -10.478 1.00 0.00 H new ATOM 0 HG CYS A 99 126.370 10.735 -8.747 1.00 0.00 H new ATOM 1128 N GLY A 100 129.640 9.600 -10.152 1.00 0.00 N ATOM 1129 CA GLY A 100 130.842 8.948 -9.532 1.00 0.00 C ATOM 1130 C GLY A 100 131.165 9.597 -8.179 1.00 0.00 C ATOM 1131 O GLY A 100 132.298 9.949 -7.908 1.00 0.00 O ATOM 0 H GLY A 100 128.910 8.955 -10.454 1.00 0.00 H new ATOM 0 HA2 GLY A 100 130.656 7.883 -9.396 1.00 0.00 H new ATOM 0 HA3 GLY A 100 131.698 9.040 -10.200 1.00 0.00 H new ATOM 1135 N SER A 101 130.178 9.764 -7.338 1.00 0.00 N ATOM 1136 CA SER A 101 130.420 10.398 -6.007 1.00 0.00 C ATOM 1137 C SER A 101 130.885 9.354 -4.989 1.00 0.00 C ATOM 1138 O SER A 101 130.122 8.507 -4.563 1.00 0.00 O ATOM 1139 CB SER A 101 129.069 10.978 -5.594 1.00 0.00 C ATOM 1140 OG SER A 101 128.112 9.929 -5.514 1.00 0.00 O ATOM 0 H SER A 101 129.212 9.488 -7.516 1.00 0.00 H new ATOM 0 HA SER A 101 131.198 11.160 -6.054 1.00 0.00 H new ATOM 0 HB2 SER A 101 129.155 11.481 -4.631 1.00 0.00 H new ATOM 0 HB3 SER A 101 128.745 11.727 -6.317 1.00 0.00 H new ATOM 0 HG SER A 101 128.571 9.080 -5.344 1.00 0.00 H new ATOM 1146 N SER A 102 132.131 9.417 -4.592 1.00 0.00 N ATOM 1147 CA SER A 102 132.652 8.437 -3.591 1.00 0.00 C ATOM 1148 C SER A 102 131.970 8.670 -2.241 1.00 0.00 C ATOM 1149 O SER A 102 131.625 7.737 -1.539 1.00 0.00 O ATOM 1150 CB SER A 102 134.152 8.714 -3.492 1.00 0.00 C ATOM 1151 OG SER A 102 134.357 10.072 -3.122 1.00 0.00 O ATOM 0 H SER A 102 132.810 10.105 -4.918 1.00 0.00 H new ATOM 0 HA SER A 102 132.457 7.404 -3.880 1.00 0.00 H new ATOM 0 HB2 SER A 102 134.608 8.052 -2.756 1.00 0.00 H new ATOM 0 HB3 SER A 102 134.635 8.509 -4.447 1.00 0.00 H new ATOM 0 HG SER A 102 135.318 10.252 -3.056 1.00 0.00 H new ATOM 1157 N ASP A 103 131.766 9.912 -1.880 1.00 0.00 N ATOM 1158 CA ASP A 103 131.098 10.220 -0.580 1.00 0.00 C ATOM 1159 C ASP A 103 129.586 10.040 -0.725 1.00 0.00 C ATOM 1160 O ASP A 103 128.973 10.578 -1.629 1.00 0.00 O ATOM 1161 CB ASP A 103 131.438 11.685 -0.294 1.00 0.00 C ATOM 1162 CG ASP A 103 132.953 11.841 -0.151 1.00 0.00 C ATOM 1163 OD1 ASP A 103 133.489 12.773 -0.728 1.00 0.00 O ATOM 1164 OD2 ASP A 103 133.551 11.026 0.531 1.00 0.00 O ATOM 0 H ASP A 103 132.034 10.727 -2.431 1.00 0.00 H new ATOM 0 HA ASP A 103 131.428 9.565 0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 103 131.072 12.318 -1.102 1.00 0.00 H new ATOM 0 HB3 ASP A 103 130.941 12.013 0.619 1.00 0.00 H new ATOM 1169 N LEU A 104 128.980 9.281 0.153 1.00 0.00 N ATOM 1170 CA LEU A 104 127.506 9.057 0.063 1.00 0.00 C ATOM 1171 C LEU A 104 126.849 9.227 1.433 1.00 0.00 C ATOM 1172 O LEU A 104 127.451 8.969 2.459 1.00 0.00 O ATOM 1173 CB LEU A 104 127.355 7.615 -0.425 1.00 0.00 C ATOM 1174 CG LEU A 104 127.938 7.488 -1.833 1.00 0.00 C ATOM 1175 CD1 LEU A 104 127.973 6.013 -2.239 1.00 0.00 C ATOM 1176 CD2 LEU A 104 127.062 8.267 -2.817 1.00 0.00 C ATOM 0 H LEU A 104 129.443 8.807 0.928 1.00 0.00 H new ATOM 0 HA LEU A 104 127.025 9.771 -0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 104 127.868 6.934 0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 104 126.303 7.330 -0.429 1.00 0.00 H new ATOM 0 HG LEU A 104 128.950 7.892 -1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 104 128.388 5.922 -3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 104 128.594 5.457 -1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 104 126.961 5.608 -2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 104 127.476 8.178 -3.822 1.00 0.00 H new ATOM 0 HD22 LEU A 104 126.050 7.861 -2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 104 127.035 9.317 -2.527 1.00 0.00 H new ATOM 1188 N TYR A 105 125.612 9.651 1.452 1.00 0.00 N ATOM 1189 CA TYR A 105 124.893 9.833 2.746 1.00 0.00 C ATOM 1190 C TYR A 105 123.857 8.717 2.917 1.00 0.00 C ATOM 1191 O TYR A 105 123.056 8.466 2.036 1.00 0.00 O ATOM 1192 CB TYR A 105 124.205 11.194 2.629 1.00 0.00 C ATOM 1193 CG TYR A 105 125.244 12.288 2.661 1.00 0.00 C ATOM 1194 CD1 TYR A 105 125.555 12.922 3.870 1.00 0.00 C ATOM 1195 CD2 TYR A 105 125.897 12.669 1.483 1.00 0.00 C ATOM 1196 CE1 TYR A 105 126.519 13.937 3.900 1.00 0.00 C ATOM 1197 CE2 TYR A 105 126.860 13.685 1.514 1.00 0.00 C ATOM 1198 CZ TYR A 105 127.172 14.319 2.723 1.00 0.00 C ATOM 1199 OH TYR A 105 128.122 15.318 2.752 1.00 0.00 O ATOM 0 H TYR A 105 125.067 9.880 0.621 1.00 0.00 H new ATOM 0 HA TYR A 105 125.559 9.792 3.608 1.00 0.00 H new ATOM 0 HB2 TYR A 105 123.635 11.247 1.702 1.00 0.00 H new ATOM 0 HB3 TYR A 105 123.497 11.327 3.447 1.00 0.00 H new ATOM 0 HD1 TYR A 105 125.051 12.628 4.779 1.00 0.00 H new ATOM 0 HD2 TYR A 105 125.658 12.179 0.550 1.00 0.00 H new ATOM 0 HE1 TYR A 105 126.759 14.426 4.833 1.00 0.00 H new ATOM 0 HE2 TYR A 105 127.363 13.980 0.605 1.00 0.00 H new ATOM 0 HH TYR A 105 128.478 15.458 1.850 1.00 0.00 H new ATOM 1209 N LEU A 106 123.875 8.044 4.038 1.00 0.00 N ATOM 1210 CA LEU A 106 122.900 6.935 4.265 1.00 0.00 C ATOM 1211 C LEU A 106 121.882 7.330 5.338 1.00 0.00 C ATOM 1212 O LEU A 106 122.213 7.981 6.311 1.00 0.00 O ATOM 1213 CB LEU A 106 123.751 5.755 4.738 1.00 0.00 C ATOM 1214 CG LEU A 106 122.861 4.523 4.936 1.00 0.00 C ATOM 1215 CD1 LEU A 106 123.611 3.269 4.479 1.00 0.00 C ATOM 1216 CD2 LEU A 106 122.499 4.387 6.418 1.00 0.00 C ATOM 0 H LEU A 106 124.523 8.214 4.807 1.00 0.00 H new ATOM 0 HA LEU A 106 122.331 6.695 3.367 1.00 0.00 H new ATOM 0 HB2 LEU A 106 124.530 5.539 4.006 1.00 0.00 H new ATOM 0 HB3 LEU A 106 124.253 6.007 5.672 1.00 0.00 H new ATOM 0 HG LEU A 106 121.951 4.637 4.347 1.00 0.00 H new ATOM 0 HD11 LEU A 106 122.977 2.394 4.620 1.00 0.00 H new ATOM 0 HD12 LEU A 106 123.869 3.363 3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 106 124.522 3.156 5.067 1.00 0.00 H new ATOM 0 HD21 LEU A 106 121.866 3.511 6.559 1.00 0.00 H new ATOM 0 HD22 LEU A 106 123.410 4.275 7.006 1.00 0.00 H new ATOM 0 HD23 LEU A 106 121.963 5.278 6.745 1.00 0.00 H new ATOM 1228 N VAL A 107 120.645 6.936 5.164 1.00 0.00 N ATOM 1229 CA VAL A 107 119.595 7.282 6.169 1.00 0.00 C ATOM 1230 C VAL A 107 119.213 6.033 6.971 1.00 0.00 C ATOM 1231 O VAL A 107 118.853 5.013 6.413 1.00 0.00 O ATOM 1232 CB VAL A 107 118.402 7.785 5.348 1.00 0.00 C ATOM 1233 CG1 VAL A 107 117.255 8.172 6.286 1.00 0.00 C ATOM 1234 CG2 VAL A 107 118.821 9.013 4.534 1.00 0.00 C ATOM 0 H VAL A 107 120.317 6.389 4.368 1.00 0.00 H new ATOM 0 HA VAL A 107 119.934 8.032 6.884 1.00 0.00 H new ATOM 0 HB VAL A 107 118.072 6.993 4.676 1.00 0.00 H new ATOM 0 HG11 VAL A 107 116.409 8.529 5.698 1.00 0.00 H new ATOM 0 HG12 VAL A 107 116.951 7.302 6.868 1.00 0.00 H new ATOM 0 HG13 VAL A 107 117.587 8.961 6.960 1.00 0.00 H new ATOM 0 HG21 VAL A 107 117.972 9.370 3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 107 119.154 9.801 5.210 1.00 0.00 H new ATOM 0 HG23 VAL A 107 119.635 8.743 3.862 1.00 0.00 H new ATOM 1244 N THR A 108 119.298 6.109 8.274 1.00 0.00 N ATOM 1245 CA THR A 108 118.948 4.930 9.124 1.00 0.00 C ATOM 1246 C THR A 108 117.497 5.028 9.600 1.00 0.00 C ATOM 1247 O THR A 108 116.858 6.055 9.464 1.00 0.00 O ATOM 1248 CB THR A 108 119.902 5.000 10.318 1.00 0.00 C ATOM 1249 OG1 THR A 108 119.697 6.224 11.009 1.00 0.00 O ATOM 1250 CG2 THR A 108 121.353 4.920 9.835 1.00 0.00 C ATOM 0 H THR A 108 119.595 6.938 8.788 1.00 0.00 H new ATOM 0 HA THR A 108 119.043 3.992 8.578 1.00 0.00 H new ATOM 0 HB THR A 108 119.705 4.162 10.987 1.00 0.00 H new ATOM 0 HG1 THR A 108 119.583 6.044 11.966 1.00 0.00 H new ATOM 0 HG21 THR A 108 122.025 4.971 10.692 1.00 0.00 H new ATOM 0 HG22 THR A 108 121.509 3.980 9.306 1.00 0.00 H new ATOM 0 HG23 THR A 108 121.559 5.753 9.163 1.00 0.00 H new ATOM 1258 N ARG A 109 116.981 3.967 10.164 1.00 0.00 N ATOM 1259 CA ARG A 109 115.572 3.988 10.664 1.00 0.00 C ATOM 1260 C ARG A 109 115.443 4.964 11.841 1.00 0.00 C ATOM 1261 O ARG A 109 114.369 5.461 12.128 1.00 0.00 O ATOM 1262 CB ARG A 109 115.281 2.555 11.118 1.00 0.00 C ATOM 1263 CG ARG A 109 113.829 2.453 11.591 1.00 0.00 C ATOM 1264 CD ARG A 109 113.455 0.980 11.785 1.00 0.00 C ATOM 1265 NE ARG A 109 114.278 0.510 12.944 1.00 0.00 N ATOM 1266 CZ ARG A 109 114.115 -0.695 13.454 1.00 0.00 C ATOM 1267 NH1 ARG A 109 113.377 -1.600 12.852 1.00 0.00 N ATOM 1268 NH2 ARG A 109 114.703 -0.996 14.579 1.00 0.00 N ATOM 0 H ARG A 109 117.475 3.085 10.301 1.00 0.00 H new ATOM 0 HA ARG A 109 114.870 4.318 9.898 1.00 0.00 H new ATOM 0 HB2 ARG A 109 115.457 1.860 10.297 1.00 0.00 H new ATOM 0 HB3 ARG A 109 115.958 2.273 11.925 1.00 0.00 H new ATOM 0 HG2 ARG A 109 113.701 2.997 12.527 1.00 0.00 H new ATOM 0 HG3 ARG A 109 113.164 2.914 10.861 1.00 0.00 H new ATOM 0 HD2 ARG A 109 112.390 0.869 11.989 1.00 0.00 H new ATOM 0 HD3 ARG A 109 113.671 0.399 10.889 1.00 0.00 H new ATOM 0 HE ARG A 109 114.978 1.133 13.347 1.00 0.00 H new ATOM 0 HH11 ARG A 109 112.915 -1.377 11.970 1.00 0.00 H new ATOM 0 HH12 ARG A 109 113.266 -2.525 13.266 1.00 0.00 H new ATOM 0 HH21 ARG A 109 115.281 -0.303 15.054 1.00 0.00 H new ATOM 0 HH22 ARG A 109 114.585 -1.925 14.984 1.00 0.00 H new ATOM 1282 N HIS A 110 116.529 5.241 12.523 1.00 0.00 N ATOM 1283 CA HIS A 110 116.475 6.183 13.683 1.00 0.00 C ATOM 1284 C HIS A 110 116.805 7.615 13.238 1.00 0.00 C ATOM 1285 O HIS A 110 117.237 8.431 14.028 1.00 0.00 O ATOM 1286 CB HIS A 110 117.536 5.666 14.654 1.00 0.00 C ATOM 1287 CG HIS A 110 117.295 6.251 16.019 1.00 0.00 C ATOM 1288 ND1 HIS A 110 118.186 7.127 16.616 1.00 0.00 N ATOM 1289 CD2 HIS A 110 116.265 6.094 16.914 1.00 0.00 C ATOM 1290 CE1 HIS A 110 117.681 7.463 17.818 1.00 0.00 C ATOM 1291 NE2 HIS A 110 116.512 6.860 18.049 1.00 0.00 N ATOM 0 H HIS A 110 117.452 4.854 12.325 1.00 0.00 H new ATOM 0 HA HIS A 110 115.484 6.220 14.134 1.00 0.00 H new ATOM 0 HB2 HIS A 110 117.501 4.578 14.702 1.00 0.00 H new ATOM 0 HB3 HIS A 110 118.531 5.938 14.301 1.00 0.00 H new ATOM 0 HD2 HIS A 110 115.396 5.471 16.760 1.00 0.00 H new ATOM 0 HE1 HIS A 110 118.162 8.138 18.511 1.00 0.00 H new ATOM 0 HE2 HIS A 110 115.926 6.943 18.880 1.00 0.00 H new ATOM 1299 N ALA A 111 116.596 7.927 11.979 1.00 0.00 N ATOM 1300 CA ALA A 111 116.885 9.309 11.469 1.00 0.00 C ATOM 1301 C ALA A 111 118.332 9.718 11.776 1.00 0.00 C ATOM 1302 O ALA A 111 118.587 10.789 12.295 1.00 0.00 O ATOM 1303 CB ALA A 111 115.893 10.229 12.192 1.00 0.00 C ATOM 0 H ALA A 111 116.235 7.280 11.278 1.00 0.00 H new ATOM 0 HA ALA A 111 116.774 9.367 10.386 1.00 0.00 H new ATOM 0 HB1 ALA A 111 116.047 11.258 11.867 1.00 0.00 H new ATOM 0 HB2 ALA A 111 114.874 9.923 11.955 1.00 0.00 H new ATOM 0 HB3 ALA A 111 116.052 10.161 13.268 1.00 0.00 H new ATOM 1309 N ASP A 112 119.281 8.878 11.447 1.00 0.00 N ATOM 1310 CA ASP A 112 120.712 9.218 11.705 1.00 0.00 C ATOM 1311 C ASP A 112 121.476 9.291 10.379 1.00 0.00 C ATOM 1312 O ASP A 112 121.430 8.378 9.577 1.00 0.00 O ATOM 1313 CB ASP A 112 121.248 8.078 12.573 1.00 0.00 C ATOM 1314 CG ASP A 112 122.535 8.527 13.269 1.00 0.00 C ATOM 1315 OD1 ASP A 112 123.282 9.278 12.663 1.00 0.00 O ATOM 1316 OD2 ASP A 112 122.752 8.111 14.395 1.00 0.00 O ATOM 0 H ASP A 112 119.125 7.970 11.010 1.00 0.00 H new ATOM 0 HA ASP A 112 120.826 10.184 12.197 1.00 0.00 H new ATOM 0 HB2 ASP A 112 120.503 7.790 13.314 1.00 0.00 H new ATOM 0 HB3 ASP A 112 121.442 7.199 11.958 1.00 0.00 H new ATOM 1321 N VAL A 113 122.173 10.375 10.145 1.00 0.00 N ATOM 1322 CA VAL A 113 122.937 10.518 8.869 1.00 0.00 C ATOM 1323 C VAL A 113 124.383 10.051 9.066 1.00 0.00 C ATOM 1324 O VAL A 113 125.110 10.584 9.884 1.00 0.00 O ATOM 1325 CB VAL A 113 122.891 12.015 8.540 1.00 0.00 C ATOM 1326 CG1 VAL A 113 123.644 12.281 7.233 1.00 0.00 C ATOM 1327 CG2 VAL A 113 121.434 12.460 8.380 1.00 0.00 C ATOM 0 H VAL A 113 122.246 11.167 10.783 1.00 0.00 H new ATOM 0 HA VAL A 113 122.516 9.915 8.065 1.00 0.00 H new ATOM 0 HB VAL A 113 123.359 12.573 9.350 1.00 0.00 H new ATOM 0 HG11 VAL A 113 123.609 13.346 7.003 1.00 0.00 H new ATOM 0 HG12 VAL A 113 124.682 11.967 7.341 1.00 0.00 H new ATOM 0 HG13 VAL A 113 123.178 11.719 6.424 1.00 0.00 H new ATOM 0 HG21 VAL A 113 121.402 13.524 8.146 1.00 0.00 H new ATOM 0 HG22 VAL A 113 120.968 11.897 7.571 1.00 0.00 H new ATOM 0 HG23 VAL A 113 120.893 12.276 9.308 1.00 0.00 H new ATOM 1337 N ILE A 114 124.800 9.057 8.323 1.00 0.00 N ATOM 1338 CA ILE A 114 126.196 8.545 8.461 1.00 0.00 C ATOM 1339 C ILE A 114 126.910 8.596 7.095 1.00 0.00 C ATOM 1340 O ILE A 114 126.338 8.206 6.097 1.00 0.00 O ATOM 1341 CB ILE A 114 126.043 7.095 8.937 1.00 0.00 C ATOM 1342 CG1 ILE A 114 125.313 7.069 10.284 1.00 0.00 C ATOM 1343 CG2 ILE A 114 127.425 6.455 9.102 1.00 0.00 C ATOM 1344 CD1 ILE A 114 124.624 5.715 10.464 1.00 0.00 C ATOM 0 H ILE A 114 124.232 8.577 7.625 1.00 0.00 H new ATOM 0 HA ILE A 114 126.791 9.138 9.156 1.00 0.00 H new ATOM 0 HB ILE A 114 125.469 6.537 8.198 1.00 0.00 H new ATOM 0 HG12 ILE A 114 126.020 7.240 11.096 1.00 0.00 H new ATOM 0 HG13 ILE A 114 124.577 7.872 10.327 1.00 0.00 H new ATOM 0 HG21 ILE A 114 127.311 5.425 9.440 1.00 0.00 H new ATOM 0 HG22 ILE A 114 127.948 6.467 8.146 1.00 0.00 H new ATOM 0 HG23 ILE A 114 128.001 7.017 9.838 1.00 0.00 H new ATOM 0 HD11 ILE A 114 124.104 5.696 11.422 1.00 0.00 H new ATOM 0 HD12 ILE A 114 123.906 5.562 9.658 1.00 0.00 H new ATOM 0 HD13 ILE A 114 125.370 4.921 10.440 1.00 0.00 H new ATOM 1356 N PRO A 115 128.141 9.072 7.083 1.00 0.00 N ATOM 1357 CA PRO A 115 128.897 9.152 5.809 1.00 0.00 C ATOM 1358 C PRO A 115 129.420 7.767 5.414 1.00 0.00 C ATOM 1359 O PRO A 115 129.803 6.977 6.257 1.00 0.00 O ATOM 1360 CB PRO A 115 130.050 10.095 6.130 1.00 0.00 C ATOM 1361 CG PRO A 115 130.247 9.992 7.610 1.00 0.00 C ATOM 1362 CD PRO A 115 128.933 9.573 8.220 1.00 0.00 C ATOM 0 HA PRO A 115 128.291 9.501 4.973 1.00 0.00 H new ATOM 0 HB2 PRO A 115 130.954 9.808 5.592 1.00 0.00 H new ATOM 0 HB3 PRO A 115 129.815 11.118 5.835 1.00 0.00 H new ATOM 0 HG2 PRO A 115 131.025 9.265 7.842 1.00 0.00 H new ATOM 0 HG3 PRO A 115 130.571 10.948 8.020 1.00 0.00 H new ATOM 0 HD2 PRO A 115 129.075 8.801 8.976 1.00 0.00 H new ATOM 0 HD3 PRO A 115 128.438 10.411 8.710 1.00 0.00 H new ATOM 1370 N VAL A 116 129.438 7.471 4.139 1.00 0.00 N ATOM 1371 CA VAL A 116 129.934 6.136 3.681 1.00 0.00 C ATOM 1372 C VAL A 116 130.939 6.310 2.537 1.00 0.00 C ATOM 1373 O VAL A 116 130.758 7.135 1.661 1.00 0.00 O ATOM 1374 CB VAL A 116 128.685 5.387 3.202 1.00 0.00 C ATOM 1375 CG1 VAL A 116 129.077 3.991 2.713 1.00 0.00 C ATOM 1376 CG2 VAL A 116 127.692 5.255 4.360 1.00 0.00 C ATOM 0 H VAL A 116 129.130 8.096 3.394 1.00 0.00 H new ATOM 0 HA VAL A 116 130.450 5.592 4.472 1.00 0.00 H new ATOM 0 HB VAL A 116 128.225 5.943 2.385 1.00 0.00 H new ATOM 0 HG11 VAL A 116 128.187 3.461 2.373 1.00 0.00 H new ATOM 0 HG12 VAL A 116 129.784 4.080 1.888 1.00 0.00 H new ATOM 0 HG13 VAL A 116 129.540 3.436 3.529 1.00 0.00 H new ATOM 0 HG21 VAL A 116 126.804 4.722 4.019 1.00 0.00 H new ATOM 0 HG22 VAL A 116 128.156 4.701 5.176 1.00 0.00 H new ATOM 0 HG23 VAL A 116 127.408 6.247 4.710 1.00 0.00 H new ATOM 1386 N ARG A 117 131.995 5.537 2.541 1.00 0.00 N ATOM 1387 CA ARG A 117 133.019 5.646 1.459 1.00 0.00 C ATOM 1388 C ARG A 117 132.761 4.585 0.383 1.00 0.00 C ATOM 1389 O ARG A 117 132.527 3.431 0.686 1.00 0.00 O ATOM 1390 CB ARG A 117 134.356 5.387 2.155 1.00 0.00 C ATOM 1391 CG ARG A 117 135.502 5.844 1.251 1.00 0.00 C ATOM 1392 CD ARG A 117 135.722 7.348 1.429 1.00 0.00 C ATOM 1393 NE ARG A 117 137.109 7.598 0.932 1.00 0.00 N ATOM 1394 CZ ARG A 117 137.349 7.833 -0.343 1.00 0.00 C ATOM 1395 NH1 ARG A 117 136.422 7.665 -1.257 1.00 0.00 N ATOM 1396 NH2 ARG A 117 138.535 8.239 -0.703 1.00 0.00 N ATOM 0 H ARG A 117 132.193 4.832 3.251 1.00 0.00 H new ATOM 0 HA ARG A 117 132.998 6.616 0.963 1.00 0.00 H new ATOM 0 HB2 ARG A 117 134.393 5.921 3.104 1.00 0.00 H new ATOM 0 HB3 ARG A 117 134.460 4.326 2.382 1.00 0.00 H new ATOM 0 HG2 ARG A 117 136.414 5.300 1.498 1.00 0.00 H new ATOM 0 HG3 ARG A 117 135.270 5.620 0.210 1.00 0.00 H new ATOM 0 HD2 ARG A 117 134.990 7.924 0.862 1.00 0.00 H new ATOM 0 HD3 ARG A 117 135.618 7.641 2.474 1.00 0.00 H new ATOM 0 HE ARG A 117 137.886 7.587 1.593 1.00 0.00 H new ATOM 0 HH11 ARG A 117 135.492 7.346 -0.987 1.00 0.00 H new ATOM 0 HH12 ARG A 117 136.632 7.854 -2.237 1.00 0.00 H new ATOM 0 HH21 ARG A 117 139.264 8.371 -0.001 1.00 0.00 H new ATOM 0 HH22 ARG A 117 138.734 8.424 -1.686 1.00 0.00 H new ATOM 1410 N ARG A 118 132.798 4.971 -0.868 1.00 0.00 N ATOM 1411 CA ARG A 118 132.552 3.984 -1.966 1.00 0.00 C ATOM 1412 C ARG A 118 133.722 3.002 -2.068 1.00 0.00 C ATOM 1413 O ARG A 118 134.874 3.385 -1.996 1.00 0.00 O ATOM 1414 CB ARG A 118 132.436 4.818 -3.245 1.00 0.00 C ATOM 1415 CG ARG A 118 131.937 3.930 -4.386 1.00 0.00 C ATOM 1416 CD ARG A 118 131.820 4.758 -5.669 1.00 0.00 C ATOM 1417 NE ARG A 118 131.292 3.812 -6.704 1.00 0.00 N ATOM 1418 CZ ARG A 118 131.116 4.194 -7.953 1.00 0.00 C ATOM 1419 NH1 ARG A 118 131.575 5.344 -8.389 1.00 0.00 N ATOM 1420 NH2 ARG A 118 130.473 3.410 -8.774 1.00 0.00 N ATOM 0 H ARG A 118 132.987 5.925 -1.177 1.00 0.00 H new ATOM 0 HA ARG A 118 131.654 3.392 -1.789 1.00 0.00 H new ATOM 0 HB2 ARG A 118 131.749 5.650 -3.089 1.00 0.00 H new ATOM 0 HB3 ARG A 118 133.404 5.248 -3.501 1.00 0.00 H new ATOM 0 HG2 ARG A 118 132.624 3.098 -4.540 1.00 0.00 H new ATOM 0 HG3 ARG A 118 130.969 3.500 -4.129 1.00 0.00 H new ATOM 0 HD2 ARG A 118 131.148 5.605 -5.531 1.00 0.00 H new ATOM 0 HD3 ARG A 118 132.787 5.164 -5.964 1.00 0.00 H new ATOM 0 HE ARG A 118 131.064 2.854 -6.437 1.00 0.00 H new ATOM 0 HH11 ARG A 118 132.081 5.964 -7.756 1.00 0.00 H new ATOM 0 HH12 ARG A 118 131.426 5.617 -9.360 1.00 0.00 H new ATOM 0 HH21 ARG A 118 130.113 2.513 -8.447 1.00 0.00 H new ATOM 0 HH22 ARG A 118 130.330 3.694 -9.743 1.00 0.00 H new ATOM 1434 N ARG A 119 133.429 1.737 -2.234 1.00 0.00 N ATOM 1435 CA ARG A 119 134.513 0.715 -2.341 1.00 0.00 C ATOM 1436 C ARG A 119 134.195 -0.277 -3.464 1.00 0.00 C ATOM 1437 O ARG A 119 134.636 -1.410 -3.444 1.00 0.00 O ATOM 1438 CB ARG A 119 134.519 0.005 -0.988 1.00 0.00 C ATOM 1439 CG ARG A 119 135.834 -0.760 -0.821 1.00 0.00 C ATOM 1440 CD ARG A 119 135.680 -1.781 0.307 1.00 0.00 C ATOM 1441 NE ARG A 119 136.756 -2.796 0.074 1.00 0.00 N ATOM 1442 CZ ARG A 119 137.007 -3.740 0.959 1.00 0.00 C ATOM 1443 NH1 ARG A 119 136.472 -3.716 2.157 1.00 0.00 N ATOM 1444 NH2 ARG A 119 137.808 -4.718 0.638 1.00 0.00 N ATOM 0 H ARG A 119 132.481 1.367 -2.300 1.00 0.00 H new ATOM 0 HA ARG A 119 135.480 1.160 -2.574 1.00 0.00 H new ATOM 0 HB2 ARG A 119 134.403 0.731 -0.183 1.00 0.00 H new ATOM 0 HB3 ARG A 119 133.675 -0.682 -0.922 1.00 0.00 H new ATOM 0 HG2 ARG A 119 136.096 -1.264 -1.751 1.00 0.00 H new ATOM 0 HG3 ARG A 119 136.645 -0.068 -0.594 1.00 0.00 H new ATOM 0 HD2 ARG A 119 135.791 -1.308 1.283 1.00 0.00 H new ATOM 0 HD3 ARG A 119 134.693 -2.243 0.287 1.00 0.00 H new ATOM 0 HE ARG A 119 137.305 -2.756 -0.785 1.00 0.00 H new ATOM 0 HH11 ARG A 119 135.846 -2.955 2.421 1.00 0.00 H new ATOM 0 HH12 ARG A 119 136.682 -4.458 2.824 1.00 0.00 H new ATOM 0 HH21 ARG A 119 138.232 -4.746 -0.289 1.00 0.00 H new ATOM 0 HH22 ARG A 119 138.010 -5.454 1.314 1.00 0.00 H new ATOM 1458 N GLY A 120 133.433 0.143 -4.442 1.00 0.00 N ATOM 1459 CA GLY A 120 133.080 -0.769 -5.568 1.00 0.00 C ATOM 1460 C GLY A 120 131.730 -0.358 -6.151 1.00 0.00 C ATOM 1461 O GLY A 120 131.163 0.650 -5.775 1.00 0.00 O ATOM 0 H GLY A 120 133.040 1.082 -4.508 1.00 0.00 H new ATOM 0 HA2 GLY A 120 133.849 -0.727 -6.339 1.00 0.00 H new ATOM 0 HA3 GLY A 120 133.038 -1.800 -5.216 1.00 0.00 H new ATOM 1465 N ASP A 121 131.214 -1.132 -7.071 1.00 0.00 N ATOM 1466 CA ASP A 121 129.897 -0.791 -7.691 1.00 0.00 C ATOM 1467 C ASP A 121 128.763 -0.981 -6.677 1.00 0.00 C ATOM 1468 O ASP A 121 127.827 -0.205 -6.635 1.00 0.00 O ATOM 1469 CB ASP A 121 129.738 -1.765 -8.861 1.00 0.00 C ATOM 1470 CG ASP A 121 128.566 -1.326 -9.744 1.00 0.00 C ATOM 1471 OD1 ASP A 121 127.628 -0.754 -9.211 1.00 0.00 O ATOM 1472 OD2 ASP A 121 128.628 -1.565 -10.938 1.00 0.00 O ATOM 0 H ASP A 121 131.648 -1.986 -7.420 1.00 0.00 H new ATOM 0 HA ASP A 121 129.858 0.248 -8.019 1.00 0.00 H new ATOM 0 HB2 ASP A 121 130.656 -1.796 -9.448 1.00 0.00 H new ATOM 0 HB3 ASP A 121 129.565 -2.774 -8.486 1.00 0.00 H new ATOM 1477 N SER A 122 128.835 -2.012 -5.871 1.00 0.00 N ATOM 1478 CA SER A 122 127.752 -2.258 -4.869 1.00 0.00 C ATOM 1479 C SER A 122 128.332 -2.457 -3.464 1.00 0.00 C ATOM 1480 O SER A 122 127.711 -3.070 -2.616 1.00 0.00 O ATOM 1481 CB SER A 122 127.065 -3.537 -5.344 1.00 0.00 C ATOM 1482 OG SER A 122 126.768 -3.424 -6.730 1.00 0.00 O ATOM 0 H SER A 122 129.595 -2.692 -5.864 1.00 0.00 H new ATOM 0 HA SER A 122 127.066 -1.414 -4.801 1.00 0.00 H new ATOM 0 HB2 SER A 122 127.711 -4.397 -5.168 1.00 0.00 H new ATOM 0 HB3 SER A 122 126.149 -3.704 -4.777 1.00 0.00 H new ATOM 0 HG SER A 122 126.328 -4.244 -7.038 1.00 0.00 H new ATOM 1488 N ARG A 123 129.512 -1.946 -3.206 1.00 0.00 N ATOM 1489 CA ARG A 123 130.118 -2.111 -1.848 1.00 0.00 C ATOM 1490 C ARG A 123 130.853 -0.838 -1.421 1.00 0.00 C ATOM 1491 O ARG A 123 131.464 -0.162 -2.227 1.00 0.00 O ATOM 1492 CB ARG A 123 131.093 -3.281 -1.982 1.00 0.00 C ATOM 1493 CG ARG A 123 131.684 -3.607 -0.609 1.00 0.00 C ATOM 1494 CD ARG A 123 132.154 -5.064 -0.585 1.00 0.00 C ATOM 1495 NE ARG A 123 133.335 -5.110 -1.501 1.00 0.00 N ATOM 1496 CZ ARG A 123 134.234 -6.070 -1.410 1.00 0.00 C ATOM 1497 NH1 ARG A 123 134.035 -7.126 -0.654 1.00 0.00 N ATOM 1498 NH2 ARG A 123 135.344 -5.970 -2.087 1.00 0.00 N ATOM 0 H ARG A 123 130.079 -1.424 -3.874 1.00 0.00 H new ATOM 0 HA ARG A 123 129.361 -2.299 -1.087 1.00 0.00 H new ATOM 0 HB2 ARG A 123 130.579 -4.153 -2.386 1.00 0.00 H new ATOM 0 HB3 ARG A 123 131.889 -3.028 -2.682 1.00 0.00 H new ATOM 0 HG2 ARG A 123 132.520 -2.941 -0.394 1.00 0.00 H new ATOM 0 HG3 ARG A 123 130.937 -3.442 0.168 1.00 0.00 H new ATOM 0 HD2 ARG A 123 132.426 -5.373 0.424 1.00 0.00 H new ATOM 0 HD3 ARG A 123 131.367 -5.737 -0.924 1.00 0.00 H new ATOM 0 HE ARG A 123 133.447 -4.385 -2.210 1.00 0.00 H new ATOM 0 HH11 ARG A 123 133.170 -7.216 -0.121 1.00 0.00 H new ATOM 0 HH12 ARG A 123 134.746 -7.856 -0.600 1.00 0.00 H new ATOM 0 HH21 ARG A 123 135.509 -5.156 -2.679 1.00 0.00 H new ATOM 0 HH22 ARG A 123 136.047 -6.706 -2.025 1.00 0.00 H new ATOM 1512 N GLY A 124 130.795 -0.510 -0.154 1.00 0.00 N ATOM 1513 CA GLY A 124 131.485 0.716 0.345 1.00 0.00 C ATOM 1514 C GLY A 124 132.137 0.423 1.697 1.00 0.00 C ATOM 1515 O GLY A 124 132.103 -0.692 2.183 1.00 0.00 O ATOM 0 H GLY A 124 130.296 -1.043 0.559 1.00 0.00 H new ATOM 0 HA2 GLY A 124 132.240 1.038 -0.372 1.00 0.00 H new ATOM 0 HA3 GLY A 124 130.770 1.533 0.444 1.00 0.00 H new ATOM 1519 N SER A 125 132.730 1.418 2.306 1.00 0.00 N ATOM 1520 CA SER A 125 133.390 1.208 3.630 1.00 0.00 C ATOM 1521 C SER A 125 132.686 2.042 4.706 1.00 0.00 C ATOM 1522 O SER A 125 131.986 2.990 4.405 1.00 0.00 O ATOM 1523 CB SER A 125 134.828 1.687 3.449 1.00 0.00 C ATOM 1524 OG SER A 125 135.299 1.305 2.162 1.00 0.00 O ATOM 0 H SER A 125 132.786 2.369 1.942 1.00 0.00 H new ATOM 0 HA SER A 125 133.347 0.166 3.946 1.00 0.00 H new ATOM 0 HB2 SER A 125 134.878 2.770 3.559 1.00 0.00 H new ATOM 0 HB3 SER A 125 135.465 1.258 4.223 1.00 0.00 H new ATOM 0 HG SER A 125 136.222 1.614 2.046 1.00 0.00 H new ATOM 1530 N LEU A 126 132.872 1.697 5.955 1.00 0.00 N ATOM 1531 CA LEU A 126 132.219 2.470 7.056 1.00 0.00 C ATOM 1532 C LEU A 126 133.275 3.241 7.856 1.00 0.00 C ATOM 1533 O LEU A 126 134.216 2.666 8.373 1.00 0.00 O ATOM 1534 CB LEU A 126 131.534 1.415 7.939 1.00 0.00 C ATOM 1535 CG LEU A 126 130.025 1.660 7.968 1.00 0.00 C ATOM 1536 CD1 LEU A 126 129.303 0.357 8.319 1.00 0.00 C ATOM 1537 CD2 LEU A 126 129.706 2.718 9.024 1.00 0.00 C ATOM 0 H LEU A 126 133.448 0.913 6.260 1.00 0.00 H new ATOM 0 HA LEU A 126 131.507 3.204 6.679 1.00 0.00 H new ATOM 0 HB2 LEU A 126 131.742 0.416 7.555 1.00 0.00 H new ATOM 0 HB3 LEU A 126 131.938 1.457 8.951 1.00 0.00 H new ATOM 0 HG LEU A 126 129.692 2.007 6.990 1.00 0.00 H new ATOM 0 HD11 LEU A 126 128.227 0.531 8.340 1.00 0.00 H new ATOM 0 HD12 LEU A 126 129.534 -0.400 7.569 1.00 0.00 H new ATOM 0 HD13 LEU A 126 129.633 0.010 9.298 1.00 0.00 H new ATOM 0 HD21 LEU A 126 128.631 2.896 9.048 1.00 0.00 H new ATOM 0 HD22 LEU A 126 130.038 2.368 10.002 1.00 0.00 H new ATOM 0 HD23 LEU A 126 130.222 3.646 8.777 1.00 0.00 H new ATOM 1549 N LEU A 127 133.120 4.537 7.967 1.00 0.00 N ATOM 1550 CA LEU A 127 134.107 5.352 8.739 1.00 0.00 C ATOM 1551 C LEU A 127 133.983 5.047 10.233 1.00 0.00 C ATOM 1552 O LEU A 127 134.968 4.951 10.940 1.00 0.00 O ATOM 1553 CB LEU A 127 133.741 6.811 8.456 1.00 0.00 C ATOM 1554 CG LEU A 127 134.227 7.199 7.059 1.00 0.00 C ATOM 1555 CD1 LEU A 127 133.209 6.739 6.014 1.00 0.00 C ATOM 1556 CD2 LEU A 127 134.385 8.720 6.979 1.00 0.00 C ATOM 0 H LEU A 127 132.351 5.066 7.555 1.00 0.00 H new ATOM 0 HA LEU A 127 135.135 5.133 8.450 1.00 0.00 H new ATOM 0 HB2 LEU A 127 132.662 6.946 8.527 1.00 0.00 H new ATOM 0 HB3 LEU A 127 134.194 7.462 9.204 1.00 0.00 H new ATOM 0 HG LEU A 127 135.187 6.720 6.865 1.00 0.00 H new ATOM 0 HD11 LEU A 127 133.558 7.017 5.019 1.00 0.00 H new ATOM 0 HD12 LEU A 127 133.095 5.656 6.069 1.00 0.00 H new ATOM 0 HD13 LEU A 127 132.248 7.216 6.208 1.00 0.00 H new ATOM 0 HD21 LEU A 127 134.731 8.998 5.984 1.00 0.00 H new ATOM 0 HD22 LEU A 127 133.424 9.196 7.175 1.00 0.00 H new ATOM 0 HD23 LEU A 127 135.112 9.050 7.721 1.00 0.00 H new ATOM 1568 N SER A 128 132.775 4.893 10.715 1.00 0.00 N ATOM 1569 CA SER A 128 132.572 4.591 12.163 1.00 0.00 C ATOM 1570 C SER A 128 132.224 3.103 12.346 1.00 0.00 C ATOM 1571 O SER A 128 131.147 2.683 11.972 1.00 0.00 O ATOM 1572 CB SER A 128 131.395 5.469 12.585 1.00 0.00 C ATOM 1573 OG SER A 128 131.784 6.835 12.532 1.00 0.00 O ATOM 0 H SER A 128 131.919 4.964 10.165 1.00 0.00 H new ATOM 0 HA SER A 128 133.464 4.788 12.758 1.00 0.00 H new ATOM 0 HB2 SER A 128 130.543 5.296 11.927 1.00 0.00 H new ATOM 0 HB3 SER A 128 131.076 5.209 13.594 1.00 0.00 H new ATOM 0 HG SER A 128 131.030 7.400 12.801 1.00 0.00 H new ATOM 1579 N PRO A 129 133.139 2.342 12.914 1.00 0.00 N ATOM 1580 CA PRO A 129 132.881 0.897 13.124 1.00 0.00 C ATOM 1581 C PRO A 129 131.852 0.693 14.240 1.00 0.00 C ATOM 1582 O PRO A 129 132.114 0.970 15.395 1.00 0.00 O ATOM 1583 CB PRO A 129 134.242 0.337 13.527 1.00 0.00 C ATOM 1584 CG PRO A 129 134.983 1.499 14.101 1.00 0.00 C ATOM 1585 CD PRO A 129 134.471 2.733 13.406 1.00 0.00 C ATOM 0 HA PRO A 129 132.472 0.405 12.241 1.00 0.00 H new ATOM 0 HB2 PRO A 129 134.138 -0.465 14.258 1.00 0.00 H new ATOM 0 HB3 PRO A 129 134.767 -0.081 12.668 1.00 0.00 H new ATOM 0 HG2 PRO A 129 134.821 1.567 15.177 1.00 0.00 H new ATOM 0 HG3 PRO A 129 136.056 1.387 13.947 1.00 0.00 H new ATOM 0 HD2 PRO A 129 134.411 3.580 14.090 1.00 0.00 H new ATOM 0 HD3 PRO A 129 135.127 3.031 12.588 1.00 0.00 H new ATOM 1593 N ARG A 130 130.685 0.209 13.898 1.00 0.00 N ATOM 1594 CA ARG A 130 129.629 -0.018 14.930 1.00 0.00 C ATOM 1595 C ARG A 130 129.148 -1.477 14.884 1.00 0.00 C ATOM 1596 O ARG A 130 129.369 -2.162 13.905 1.00 0.00 O ATOM 1597 CB ARG A 130 128.493 0.932 14.552 1.00 0.00 C ATOM 1598 CG ARG A 130 128.962 2.384 14.701 1.00 0.00 C ATOM 1599 CD ARG A 130 128.406 3.229 13.549 1.00 0.00 C ATOM 1600 NE ARG A 130 127.860 4.460 14.199 1.00 0.00 N ATOM 1601 CZ ARG A 130 127.824 5.614 13.561 1.00 0.00 C ATOM 1602 NH1 ARG A 130 128.077 5.696 12.276 1.00 0.00 N ATOM 1603 NH2 ARG A 130 127.527 6.699 14.224 1.00 0.00 N ATOM 0 H ARG A 130 130.418 -0.039 12.946 1.00 0.00 H new ATOM 0 HA ARG A 130 129.994 0.165 15.941 1.00 0.00 H new ATOM 0 HB2 ARG A 130 128.176 0.746 13.526 1.00 0.00 H new ATOM 0 HB3 ARG A 130 127.628 0.752 15.190 1.00 0.00 H new ATOM 0 HG2 ARG A 130 128.626 2.788 15.656 1.00 0.00 H new ATOM 0 HG3 ARG A 130 130.051 2.426 14.702 1.00 0.00 H new ATOM 0 HD2 ARG A 130 129.186 3.476 12.829 1.00 0.00 H new ATOM 0 HD3 ARG A 130 127.629 2.692 13.005 1.00 0.00 H new ATOM 0 HE ARG A 130 127.508 4.406 15.155 1.00 0.00 H new ATOM 0 HH11 ARG A 130 128.308 4.855 11.747 1.00 0.00 H new ATOM 0 HH12 ARG A 130 128.043 6.601 11.806 1.00 0.00 H new ATOM 0 HH21 ARG A 130 127.326 6.648 15.223 1.00 0.00 H new ATOM 0 HH22 ARG A 130 127.496 7.598 13.743 1.00 0.00 H new ATOM 1617 N PRO A 131 128.504 -1.913 15.945 1.00 0.00 N ATOM 1618 CA PRO A 131 127.999 -3.308 15.995 1.00 0.00 C ATOM 1619 C PRO A 131 126.812 -3.483 15.044 1.00 0.00 C ATOM 1620 O PRO A 131 126.071 -2.552 14.785 1.00 0.00 O ATOM 1621 CB PRO A 131 127.566 -3.485 17.449 1.00 0.00 C ATOM 1622 CG PRO A 131 127.275 -2.102 17.936 1.00 0.00 C ATOM 1623 CD PRO A 131 128.183 -1.171 17.178 1.00 0.00 C ATOM 0 HA PRO A 131 128.743 -4.043 15.687 1.00 0.00 H new ATOM 0 HB2 PRO A 131 126.686 -4.123 17.524 1.00 0.00 H new ATOM 0 HB3 PRO A 131 128.352 -3.955 18.041 1.00 0.00 H new ATOM 0 HG2 PRO A 131 126.229 -1.845 17.766 1.00 0.00 H new ATOM 0 HG3 PRO A 131 127.452 -2.025 19.009 1.00 0.00 H new ATOM 0 HD2 PRO A 131 127.690 -0.224 16.957 1.00 0.00 H new ATOM 0 HD3 PRO A 131 129.082 -0.937 17.749 1.00 0.00 H new ATOM 1631 N VAL A 132 126.630 -4.670 14.521 1.00 0.00 N ATOM 1632 CA VAL A 132 125.491 -4.921 13.579 1.00 0.00 C ATOM 1633 C VAL A 132 124.157 -4.557 14.248 1.00 0.00 C ATOM 1634 O VAL A 132 123.238 -4.091 13.601 1.00 0.00 O ATOM 1635 CB VAL A 132 125.558 -6.426 13.269 1.00 0.00 C ATOM 1636 CG1 VAL A 132 124.395 -6.837 12.355 1.00 0.00 C ATOM 1637 CG2 VAL A 132 126.885 -6.739 12.570 1.00 0.00 C ATOM 0 H VAL A 132 127.222 -5.480 14.705 1.00 0.00 H new ATOM 0 HA VAL A 132 125.559 -4.318 12.673 1.00 0.00 H new ATOM 0 HB VAL A 132 125.487 -6.983 14.203 1.00 0.00 H new ATOM 0 HG11 VAL A 132 124.457 -7.905 12.145 1.00 0.00 H new ATOM 0 HG12 VAL A 132 123.449 -6.619 12.850 1.00 0.00 H new ATOM 0 HG13 VAL A 132 124.452 -6.280 11.420 1.00 0.00 H new ATOM 0 HG21 VAL A 132 126.937 -7.805 12.348 1.00 0.00 H new ATOM 0 HG22 VAL A 132 126.950 -6.172 11.642 1.00 0.00 H new ATOM 0 HG23 VAL A 132 127.714 -6.463 13.222 1.00 0.00 H new ATOM 1647 N SER A 133 124.049 -4.771 15.534 1.00 0.00 N ATOM 1648 CA SER A 133 122.775 -4.443 16.250 1.00 0.00 C ATOM 1649 C SER A 133 122.452 -2.949 16.116 1.00 0.00 C ATOM 1650 O SER A 133 121.311 -2.570 15.935 1.00 0.00 O ATOM 1651 CB SER A 133 123.030 -4.802 17.714 1.00 0.00 C ATOM 1652 OG SER A 133 121.810 -4.718 18.439 1.00 0.00 O ATOM 0 H SER A 133 124.787 -5.159 16.121 1.00 0.00 H new ATOM 0 HA SER A 133 121.927 -4.989 15.838 1.00 0.00 H new ATOM 0 HB2 SER A 133 123.441 -5.809 17.787 1.00 0.00 H new ATOM 0 HB3 SER A 133 123.768 -4.125 18.143 1.00 0.00 H new ATOM 0 HG SER A 133 121.971 -4.949 19.378 1.00 0.00 H new ATOM 1658 N TYR A 134 123.449 -2.105 16.203 1.00 0.00 N ATOM 1659 CA TYR A 134 123.204 -0.632 16.082 1.00 0.00 C ATOM 1660 C TYR A 134 122.681 -0.300 14.681 1.00 0.00 C ATOM 1661 O TYR A 134 121.806 0.530 14.514 1.00 0.00 O ATOM 1662 CB TYR A 134 124.571 0.022 16.317 1.00 0.00 C ATOM 1663 CG TYR A 134 124.446 1.524 16.219 1.00 0.00 C ATOM 1664 CD1 TYR A 134 124.309 2.298 17.377 1.00 0.00 C ATOM 1665 CD2 TYR A 134 124.464 2.139 14.964 1.00 0.00 C ATOM 1666 CE1 TYR A 134 124.191 3.690 17.278 1.00 0.00 C ATOM 1667 CE2 TYR A 134 124.346 3.529 14.862 1.00 0.00 C ATOM 1668 CZ TYR A 134 124.209 4.306 16.019 1.00 0.00 C ATOM 1669 OH TYR A 134 124.092 5.677 15.920 1.00 0.00 O ATOM 0 H TYR A 134 124.422 -2.370 16.353 1.00 0.00 H new ATOM 0 HA TYR A 134 122.458 -0.277 16.793 1.00 0.00 H new ATOM 0 HB2 TYR A 134 124.953 -0.257 17.299 1.00 0.00 H new ATOM 0 HB3 TYR A 134 125.289 -0.341 15.581 1.00 0.00 H new ATOM 0 HD1 TYR A 134 124.294 1.822 18.346 1.00 0.00 H new ATOM 0 HD2 TYR A 134 124.569 1.540 14.072 1.00 0.00 H new ATOM 0 HE1 TYR A 134 124.086 4.288 18.171 1.00 0.00 H new ATOM 0 HE2 TYR A 134 124.361 4.003 13.892 1.00 0.00 H new ATOM 0 HH TYR A 134 124.124 5.941 14.977 1.00 0.00 H new ATOM 1679 N LEU A 135 123.224 -0.935 13.678 1.00 0.00 N ATOM 1680 CA LEU A 135 122.785 -0.661 12.277 1.00 0.00 C ATOM 1681 C LEU A 135 121.609 -1.567 11.871 1.00 0.00 C ATOM 1682 O LEU A 135 121.071 -1.435 10.788 1.00 0.00 O ATOM 1683 CB LEU A 135 124.023 -0.971 11.429 1.00 0.00 C ATOM 1684 CG LEU A 135 123.768 -0.611 9.960 1.00 0.00 C ATOM 1685 CD1 LEU A 135 123.473 0.885 9.830 1.00 0.00 C ATOM 1686 CD2 LEU A 135 125.013 -0.951 9.136 1.00 0.00 C ATOM 0 H LEU A 135 123.958 -1.637 13.768 1.00 0.00 H new ATOM 0 HA LEU A 135 122.430 0.362 12.150 1.00 0.00 H new ATOM 0 HB2 LEU A 135 124.879 -0.410 11.804 1.00 0.00 H new ATOM 0 HB3 LEU A 135 124.274 -2.028 11.513 1.00 0.00 H new ATOM 0 HG LEU A 135 122.911 -1.178 9.596 1.00 0.00 H new ATOM 0 HD11 LEU A 135 123.293 1.131 8.783 1.00 0.00 H new ATOM 0 HD12 LEU A 135 122.590 1.134 10.418 1.00 0.00 H new ATOM 0 HD13 LEU A 135 124.326 1.457 10.196 1.00 0.00 H new ATOM 0 HD21 LEU A 135 124.838 -0.697 8.091 1.00 0.00 H new ATOM 0 HD22 LEU A 135 125.864 -0.381 9.510 1.00 0.00 H new ATOM 0 HD23 LEU A 135 125.225 -2.017 9.220 1.00 0.00 H new ATOM 1698 N LYS A 136 121.209 -2.486 12.720 1.00 0.00 N ATOM 1699 CA LYS A 136 120.075 -3.394 12.359 1.00 0.00 C ATOM 1700 C LYS A 136 118.744 -2.636 12.360 1.00 0.00 C ATOM 1701 O LYS A 136 118.494 -1.800 13.206 1.00 0.00 O ATOM 1702 CB LYS A 136 120.077 -4.489 13.424 1.00 0.00 C ATOM 1703 CG LYS A 136 119.692 -5.818 12.775 1.00 0.00 C ATOM 1704 CD LYS A 136 119.767 -6.938 13.814 1.00 0.00 C ATOM 1705 CE LYS A 136 119.771 -8.293 13.105 1.00 0.00 C ATOM 1706 NZ LYS A 136 121.199 -8.541 12.763 1.00 0.00 N ATOM 0 H LYS A 136 121.617 -2.645 13.641 1.00 0.00 H new ATOM 0 HA LYS A 136 120.193 -3.805 11.356 1.00 0.00 H new ATOM 0 HB2 LYS A 136 121.063 -4.566 13.882 1.00 0.00 H new ATOM 0 HB3 LYS A 136 119.374 -4.241 14.219 1.00 0.00 H new ATOM 0 HG2 LYS A 136 118.684 -5.755 12.365 1.00 0.00 H new ATOM 0 HG3 LYS A 136 120.361 -6.035 11.943 1.00 0.00 H new ATOM 0 HD2 LYS A 136 120.668 -6.829 14.417 1.00 0.00 H new ATOM 0 HD3 LYS A 136 118.918 -6.874 14.495 1.00 0.00 H new ATOM 0 HE2 LYS A 136 119.377 -9.078 13.750 1.00 0.00 H new ATOM 0 HE3 LYS A 136 119.148 -8.273 12.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 121.300 -9.497 12.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 121.515 -7.839 12.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 121.781 -8.460 13.621 1.00 0.00 H new ATOM 1720 N GLY A 137 117.893 -2.931 11.409 1.00 0.00 N ATOM 1721 CA GLY A 137 116.570 -2.242 11.333 1.00 0.00 C ATOM 1722 C GLY A 137 116.613 -1.097 10.311 1.00 0.00 C ATOM 1723 O GLY A 137 115.610 -0.453 10.063 1.00 0.00 O ATOM 0 H GLY A 137 118.060 -3.623 10.679 1.00 0.00 H new ATOM 0 HA2 GLY A 137 115.797 -2.958 11.053 1.00 0.00 H new ATOM 0 HA3 GLY A 137 116.301 -1.851 12.314 1.00 0.00 H new ATOM 1727 N SER A 138 117.751 -0.843 9.705 1.00 0.00 N ATOM 1728 CA SER A 138 117.830 0.252 8.692 1.00 0.00 C ATOM 1729 C SER A 138 117.784 -0.321 7.268 1.00 0.00 C ATOM 1730 O SER A 138 117.997 0.391 6.304 1.00 0.00 O ATOM 1731 CB SER A 138 119.171 0.937 8.951 1.00 0.00 C ATOM 1732 OG SER A 138 120.209 -0.033 8.922 1.00 0.00 O ATOM 0 H SER A 138 118.623 -1.346 9.869 1.00 0.00 H new ATOM 0 HA SER A 138 116.993 0.945 8.776 1.00 0.00 H new ATOM 0 HB2 SER A 138 119.352 1.703 8.197 1.00 0.00 H new ATOM 0 HB3 SER A 138 119.155 1.440 9.918 1.00 0.00 H new ATOM 0 HG SER A 138 120.485 -0.244 9.838 1.00 0.00 H new ATOM 1738 N SER A 139 117.503 -1.599 7.125 1.00 0.00 N ATOM 1739 CA SER A 139 117.442 -2.204 5.759 1.00 0.00 C ATOM 1740 C SER A 139 116.329 -1.536 4.947 1.00 0.00 C ATOM 1741 O SER A 139 115.208 -1.411 5.403 1.00 0.00 O ATOM 1742 CB SER A 139 117.127 -3.687 5.989 1.00 0.00 C ATOM 1743 OG SER A 139 117.977 -4.481 5.170 1.00 0.00 O ATOM 0 H SER A 139 117.315 -2.243 7.893 1.00 0.00 H new ATOM 0 HA SER A 139 118.371 -2.073 5.204 1.00 0.00 H new ATOM 0 HB2 SER A 139 117.272 -3.943 7.039 1.00 0.00 H new ATOM 0 HB3 SER A 139 116.082 -3.890 5.753 1.00 0.00 H new ATOM 0 HG SER A 139 117.779 -5.430 5.316 1.00 0.00 H new ATOM 1749 N GLY A 140 116.634 -1.102 3.751 1.00 0.00 N ATOM 1750 CA GLY A 140 115.600 -0.436 2.905 1.00 0.00 C ATOM 1751 C GLY A 140 115.878 1.070 2.827 1.00 0.00 C ATOM 1752 O GLY A 140 115.419 1.740 1.921 1.00 0.00 O ATOM 0 H GLY A 140 117.557 -1.181 3.323 1.00 0.00 H new ATOM 0 HA2 GLY A 140 115.604 -0.867 1.904 1.00 0.00 H new ATOM 0 HA3 GLY A 140 114.609 -0.610 3.323 1.00 0.00 H new ATOM 1756 N GLY A 141 116.627 1.611 3.762 1.00 0.00 N ATOM 1757 CA GLY A 141 116.929 3.073 3.727 1.00 0.00 C ATOM 1758 C GLY A 141 117.743 3.382 2.458 1.00 0.00 C ATOM 1759 O GLY A 141 118.734 2.727 2.201 1.00 0.00 O ATOM 0 H GLY A 141 117.039 1.102 4.544 1.00 0.00 H new ATOM 0 HA2 GLY A 141 116.004 3.649 3.731 1.00 0.00 H new ATOM 0 HA3 GLY A 141 117.490 3.364 4.615 1.00 0.00 H new ATOM 1763 N PRO A 142 117.304 4.359 1.688 1.00 0.00 N ATOM 1764 CA PRO A 142 118.027 4.704 0.439 1.00 0.00 C ATOM 1765 C PRO A 142 119.297 5.508 0.735 1.00 0.00 C ATOM 1766 O PRO A 142 119.454 6.083 1.796 1.00 0.00 O ATOM 1767 CB PRO A 142 117.025 5.558 -0.332 1.00 0.00 C ATOM 1768 CG PRO A 142 116.126 6.150 0.707 1.00 0.00 C ATOM 1769 CD PRO A 142 116.124 5.217 1.890 1.00 0.00 C ATOM 0 HA PRO A 142 118.354 3.821 -0.110 1.00 0.00 H new ATOM 0 HB2 PRO A 142 117.530 6.336 -0.904 1.00 0.00 H new ATOM 0 HB3 PRO A 142 116.460 4.955 -1.043 1.00 0.00 H new ATOM 0 HG2 PRO A 142 116.478 7.139 1.000 1.00 0.00 H new ATOM 0 HG3 PRO A 142 115.117 6.274 0.315 1.00 0.00 H new ATOM 0 HD2 PRO A 142 116.190 5.767 2.829 1.00 0.00 H new ATOM 0 HD3 PRO A 142 115.208 4.628 1.929 1.00 0.00 H new ATOM 1777 N LEU A 143 120.191 5.562 -0.218 1.00 0.00 N ATOM 1778 CA LEU A 143 121.453 6.339 -0.042 1.00 0.00 C ATOM 1779 C LEU A 143 121.474 7.475 -1.065 1.00 0.00 C ATOM 1780 O LEU A 143 121.319 7.247 -2.251 1.00 0.00 O ATOM 1781 CB LEU A 143 122.583 5.344 -0.313 1.00 0.00 C ATOM 1782 CG LEU A 143 122.795 4.453 0.917 1.00 0.00 C ATOM 1783 CD1 LEU A 143 122.061 3.125 0.723 1.00 0.00 C ATOM 1784 CD2 LEU A 143 124.291 4.183 1.101 1.00 0.00 C ATOM 0 H LEU A 143 120.099 5.095 -1.120 1.00 0.00 H new ATOM 0 HA LEU A 143 121.549 6.780 0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 143 122.340 4.731 -1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 143 123.503 5.879 -0.549 1.00 0.00 H new ATOM 0 HG LEU A 143 122.403 4.959 1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 143 122.213 2.494 1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 143 120.995 3.314 0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 143 122.451 2.620 -0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 143 124.442 3.550 1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 143 124.681 3.679 0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 143 124.816 5.127 1.242 1.00 0.00 H new ATOM 1796 N LEU A 144 121.638 8.696 -0.619 1.00 0.00 N ATOM 1797 CA LEU A 144 121.637 9.847 -1.572 1.00 0.00 C ATOM 1798 C LEU A 144 122.989 10.564 -1.584 1.00 0.00 C ATOM 1799 O LEU A 144 123.520 10.932 -0.553 1.00 0.00 O ATOM 1800 CB LEU A 144 120.547 10.784 -1.048 1.00 0.00 C ATOM 1801 CG LEU A 144 119.169 10.163 -1.292 1.00 0.00 C ATOM 1802 CD1 LEU A 144 118.866 9.134 -0.199 1.00 0.00 C ATOM 1803 CD2 LEU A 144 118.106 11.265 -1.264 1.00 0.00 C ATOM 0 H LEU A 144 121.772 8.944 0.361 1.00 0.00 H new ATOM 0 HA LEU A 144 121.456 9.520 -2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 144 120.691 10.965 0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 144 120.614 11.750 -1.547 1.00 0.00 H new ATOM 0 HG LEU A 144 119.160 9.669 -2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 144 117.885 8.694 -0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 144 119.624 8.350 -0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 144 118.874 9.624 0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 144 117.123 10.827 -1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 144 118.118 11.757 -0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 144 118.320 11.997 -2.043 1.00 0.00 H new ATOM 1815 N CYS A 145 123.533 10.783 -2.754 1.00 0.00 N ATOM 1816 CA CYS A 145 124.841 11.499 -2.862 1.00 0.00 C ATOM 1817 C CYS A 145 124.603 13.016 -2.751 1.00 0.00 C ATOM 1818 O CYS A 145 123.484 13.466 -2.895 1.00 0.00 O ATOM 1819 CB CYS A 145 125.406 11.112 -4.242 1.00 0.00 C ATOM 1820 SG CYS A 145 124.313 11.684 -5.574 1.00 0.00 S ATOM 0 H CYS A 145 123.126 10.495 -3.644 1.00 0.00 H new ATOM 0 HA CYS A 145 125.540 11.230 -2.070 1.00 0.00 H new ATOM 0 HB2 CYS A 145 126.398 11.547 -4.368 1.00 0.00 H new ATOM 0 HB3 CYS A 145 125.522 10.030 -4.301 1.00 0.00 H new ATOM 0 HG CYS A 145 123.167 11.076 -5.487 1.00 0.00 H new ATOM 1825 N PRO A 146 125.654 13.767 -2.497 1.00 0.00 N ATOM 1826 CA PRO A 146 125.504 15.242 -2.375 1.00 0.00 C ATOM 1827 C PRO A 146 125.105 15.871 -3.719 1.00 0.00 C ATOM 1828 O PRO A 146 124.676 17.008 -3.770 1.00 0.00 O ATOM 1829 CB PRO A 146 126.889 15.710 -1.930 1.00 0.00 C ATOM 1830 CG PRO A 146 127.819 14.640 -2.397 1.00 0.00 C ATOM 1831 CD PRO A 146 127.053 13.347 -2.309 1.00 0.00 C ATOM 0 HA PRO A 146 124.719 15.532 -1.676 1.00 0.00 H new ATOM 0 HB2 PRO A 146 127.142 16.674 -2.371 1.00 0.00 H new ATOM 0 HB3 PRO A 146 126.937 15.832 -0.848 1.00 0.00 H new ATOM 0 HG2 PRO A 146 128.147 14.829 -3.419 1.00 0.00 H new ATOM 0 HG3 PRO A 146 128.714 14.605 -1.776 1.00 0.00 H new ATOM 0 HD2 PRO A 146 127.367 12.640 -3.077 1.00 0.00 H new ATOM 0 HD3 PRO A 146 127.200 12.857 -1.346 1.00 0.00 H new ATOM 1839 N SER A 147 125.236 15.142 -4.804 1.00 0.00 N ATOM 1840 CA SER A 147 124.854 15.704 -6.137 1.00 0.00 C ATOM 1841 C SER A 147 123.338 15.928 -6.197 1.00 0.00 C ATOM 1842 O SER A 147 122.869 16.917 -6.726 1.00 0.00 O ATOM 1843 CB SER A 147 125.280 14.652 -7.160 1.00 0.00 C ATOM 1844 OG SER A 147 125.441 15.271 -8.431 1.00 0.00 O ATOM 0 H SER A 147 125.590 14.186 -4.822 1.00 0.00 H new ATOM 0 HA SER A 147 125.330 16.666 -6.328 1.00 0.00 H new ATOM 0 HB2 SER A 147 126.214 14.184 -6.850 1.00 0.00 H new ATOM 0 HB3 SER A 147 124.532 13.862 -7.220 1.00 0.00 H new ATOM 0 HG SER A 147 125.716 14.599 -9.089 1.00 0.00 H new ATOM 1850 N GLY A 148 122.575 15.011 -5.655 1.00 0.00 N ATOM 1851 CA GLY A 148 121.089 15.161 -5.670 1.00 0.00 C ATOM 1852 C GLY A 148 120.456 14.024 -6.479 1.00 0.00 C ATOM 1853 O GLY A 148 119.433 14.202 -7.114 1.00 0.00 O ATOM 0 H GLY A 148 122.919 14.164 -5.202 1.00 0.00 H new ATOM 0 HA2 GLY A 148 120.704 15.151 -4.650 1.00 0.00 H new ATOM 0 HA3 GLY A 148 120.817 16.123 -6.104 1.00 0.00 H new ATOM 1857 N HIS A 149 121.053 12.858 -6.457 1.00 0.00 N ATOM 1858 CA HIS A 149 120.486 11.705 -7.219 1.00 0.00 C ATOM 1859 C HIS A 149 120.452 10.454 -6.336 1.00 0.00 C ATOM 1860 O HIS A 149 121.293 10.269 -5.477 1.00 0.00 O ATOM 1861 CB HIS A 149 121.436 11.503 -8.401 1.00 0.00 C ATOM 1862 CG HIS A 149 121.357 12.693 -9.318 1.00 0.00 C ATOM 1863 ND1 HIS A 149 120.608 12.679 -10.485 1.00 0.00 N ATOM 1864 CD2 HIS A 149 121.926 13.939 -9.253 1.00 0.00 C ATOM 1865 CE1 HIS A 149 120.747 13.884 -11.069 1.00 0.00 C ATOM 1866 NE2 HIS A 149 121.540 14.691 -10.359 1.00 0.00 N ATOM 0 H HIS A 149 121.910 12.656 -5.943 1.00 0.00 H new ATOM 0 HA HIS A 149 119.463 11.890 -7.547 1.00 0.00 H new ATOM 0 HB2 HIS A 149 122.457 11.374 -8.042 1.00 0.00 H new ATOM 0 HB3 HIS A 149 121.171 10.595 -8.943 1.00 0.00 H new ATOM 0 HD2 HIS A 149 122.576 14.285 -8.463 1.00 0.00 H new ATOM 0 HE1 HIS A 149 120.275 14.164 -11.999 1.00 0.00 H new ATOM 0 HE2 HIS A 149 121.805 15.651 -10.580 1.00 0.00 H new ATOM 1874 N ALA A 150 119.485 9.595 -6.544 1.00 0.00 N ATOM 1875 CA ALA A 150 119.391 8.350 -5.719 1.00 0.00 C ATOM 1876 C ALA A 150 120.497 7.368 -6.113 1.00 0.00 C ATOM 1877 O ALA A 150 120.748 7.141 -7.282 1.00 0.00 O ATOM 1878 CB ALA A 150 118.014 7.761 -6.033 1.00 0.00 C ATOM 0 H ALA A 150 118.756 9.702 -7.250 1.00 0.00 H new ATOM 0 HA ALA A 150 119.511 8.554 -4.655 1.00 0.00 H new ATOM 0 HB1 ALA A 150 117.872 6.843 -5.463 1.00 0.00 H new ATOM 0 HB2 ALA A 150 117.240 8.480 -5.762 1.00 0.00 H new ATOM 0 HB3 ALA A 150 117.947 7.540 -7.098 1.00 0.00 H new ATOM 1884 N VAL A 151 121.159 6.785 -5.145 1.00 0.00 N ATOM 1885 CA VAL A 151 122.253 5.814 -5.456 1.00 0.00 C ATOM 1886 C VAL A 151 121.729 4.378 -5.353 1.00 0.00 C ATOM 1887 O VAL A 151 121.768 3.627 -6.310 1.00 0.00 O ATOM 1888 CB VAL A 151 123.333 6.075 -4.401 1.00 0.00 C ATOM 1889 CG1 VAL A 151 124.521 5.136 -4.637 1.00 0.00 C ATOM 1890 CG2 VAL A 151 123.813 7.526 -4.503 1.00 0.00 C ATOM 0 H VAL A 151 120.989 6.940 -4.151 1.00 0.00 H new ATOM 0 HA VAL A 151 122.640 5.937 -6.467 1.00 0.00 H new ATOM 0 HB VAL A 151 122.915 5.896 -3.410 1.00 0.00 H new ATOM 0 HG11 VAL A 151 125.288 5.324 -3.885 1.00 0.00 H new ATOM 0 HG12 VAL A 151 124.187 4.101 -4.564 1.00 0.00 H new ATOM 0 HG13 VAL A 151 124.934 5.315 -5.630 1.00 0.00 H new ATOM 0 HG21 VAL A 151 124.581 7.709 -3.751 1.00 0.00 H new ATOM 0 HG22 VAL A 151 124.227 7.703 -5.496 1.00 0.00 H new ATOM 0 HG23 VAL A 151 122.973 8.200 -4.335 1.00 0.00 H new ATOM 1900 N GLY A 152 121.246 3.990 -4.198 1.00 0.00 N ATOM 1901 CA GLY A 152 120.722 2.601 -4.030 1.00 0.00 C ATOM 1902 C GLY A 152 120.133 2.434 -2.627 1.00 0.00 C ATOM 1903 O GLY A 152 119.966 3.392 -1.899 1.00 0.00 O ATOM 0 H GLY A 152 121.192 4.576 -3.365 1.00 0.00 H new ATOM 0 HA2 GLY A 152 119.959 2.397 -4.781 1.00 0.00 H new ATOM 0 HA3 GLY A 152 121.524 1.879 -4.186 1.00 0.00 H new ATOM 1907 N ILE A 153 119.814 1.222 -2.250 1.00 0.00 N ATOM 1908 CA ILE A 153 119.229 0.979 -0.895 1.00 0.00 C ATOM 1909 C ILE A 153 120.110 0.006 -0.101 1.00 0.00 C ATOM 1910 O ILE A 153 120.666 -0.928 -0.647 1.00 0.00 O ATOM 1911 CB ILE A 153 117.849 0.367 -1.167 1.00 0.00 C ATOM 1912 CG1 ILE A 153 116.984 1.378 -1.921 1.00 0.00 C ATOM 1913 CG2 ILE A 153 117.165 0.018 0.157 1.00 0.00 C ATOM 1914 CD1 ILE A 153 115.895 0.638 -2.699 1.00 0.00 C ATOM 0 H ILE A 153 119.934 0.387 -2.824 1.00 0.00 H new ATOM 0 HA ILE A 153 119.160 1.891 -0.302 1.00 0.00 H new ATOM 0 HB ILE A 153 117.972 -0.537 -1.764 1.00 0.00 H new ATOM 0 HG12 ILE A 153 116.532 2.080 -1.220 1.00 0.00 H new ATOM 0 HG13 ILE A 153 117.601 1.962 -2.604 1.00 0.00 H new ATOM 0 HG21 ILE A 153 116.185 -0.416 -0.043 1.00 0.00 H new ATOM 0 HG22 ILE A 153 117.776 -0.701 0.704 1.00 0.00 H new ATOM 0 HG23 ILE A 153 117.046 0.922 0.754 1.00 0.00 H new ATOM 0 HD11 ILE A 153 115.278 1.358 -3.236 1.00 0.00 H new ATOM 0 HD12 ILE A 153 116.357 -0.046 -3.411 1.00 0.00 H new ATOM 0 HD13 ILE A 153 115.272 0.073 -2.005 1.00 0.00 H new ATOM 1926 N PHE A 154 120.228 0.217 1.187 1.00 0.00 N ATOM 1927 CA PHE A 154 121.060 -0.699 2.030 1.00 0.00 C ATOM 1928 C PHE A 154 120.488 -2.118 1.968 1.00 0.00 C ATOM 1929 O PHE A 154 119.314 -2.329 2.209 1.00 0.00 O ATOM 1930 CB PHE A 154 120.954 -0.138 3.453 1.00 0.00 C ATOM 1931 CG PHE A 154 121.959 -0.819 4.351 1.00 0.00 C ATOM 1932 CD1 PHE A 154 123.315 -0.839 4.001 1.00 0.00 C ATOM 1933 CD2 PHE A 154 121.537 -1.426 5.541 1.00 0.00 C ATOM 1934 CE1 PHE A 154 124.246 -1.465 4.838 1.00 0.00 C ATOM 1935 CE2 PHE A 154 122.468 -2.053 6.377 1.00 0.00 C ATOM 1936 CZ PHE A 154 123.823 -2.071 6.026 1.00 0.00 C ATOM 0 H PHE A 154 119.784 0.984 1.692 1.00 0.00 H new ATOM 0 HA PHE A 154 122.095 -0.752 1.693 1.00 0.00 H new ATOM 0 HB2 PHE A 154 121.132 0.937 3.443 1.00 0.00 H new ATOM 0 HB3 PHE A 154 119.946 -0.291 3.839 1.00 0.00 H new ATOM 0 HD1 PHE A 154 123.643 -0.371 3.084 1.00 0.00 H new ATOM 0 HD2 PHE A 154 120.492 -1.410 5.814 1.00 0.00 H new ATOM 0 HE1 PHE A 154 125.291 -1.480 4.567 1.00 0.00 H new ATOM 0 HE2 PHE A 154 122.141 -2.523 7.293 1.00 0.00 H new ATOM 0 HZ PHE A 154 124.542 -2.553 6.672 1.00 0.00 H new ATOM 1946 N ARG A 155 121.302 -3.087 1.635 1.00 0.00 N ATOM 1947 CA ARG A 155 120.799 -4.491 1.544 1.00 0.00 C ATOM 1948 C ARG A 155 121.298 -5.329 2.723 1.00 0.00 C ATOM 1949 O ARG A 155 120.518 -5.803 3.529 1.00 0.00 O ATOM 1950 CB ARG A 155 121.365 -5.034 0.229 1.00 0.00 C ATOM 1951 CG ARG A 155 120.704 -6.381 -0.103 1.00 0.00 C ATOM 1952 CD ARG A 155 121.780 -7.437 -0.385 1.00 0.00 C ATOM 1953 NE ARG A 155 122.377 -7.052 -1.702 1.00 0.00 N ATOM 1954 CZ ARG A 155 123.389 -7.721 -2.217 1.00 0.00 C ATOM 1955 NH1 ARG A 155 123.788 -8.861 -1.703 1.00 0.00 N ATOM 1956 NH2 ARG A 155 124.006 -7.241 -3.261 1.00 0.00 N ATOM 0 H ARG A 155 122.292 -2.967 1.422 1.00 0.00 H new ATOM 0 HA ARG A 155 119.710 -4.530 1.573 1.00 0.00 H new ATOM 0 HB2 ARG A 155 121.186 -4.322 -0.577 1.00 0.00 H new ATOM 0 HB3 ARG A 155 122.445 -5.158 0.311 1.00 0.00 H new ATOM 0 HG2 ARG A 155 120.076 -6.702 0.728 1.00 0.00 H new ATOM 0 HG3 ARG A 155 120.053 -6.272 -0.971 1.00 0.00 H new ATOM 0 HD2 ARG A 155 122.535 -7.448 0.401 1.00 0.00 H new ATOM 0 HD3 ARG A 155 121.348 -8.437 -0.426 1.00 0.00 H new ATOM 0 HE ARG A 155 121.993 -6.256 -2.211 1.00 0.00 H new ATOM 0 HH11 ARG A 155 123.312 -9.247 -0.888 1.00 0.00 H new ATOM 0 HH12 ARG A 155 124.574 -9.361 -2.119 1.00 0.00 H new ATOM 0 HH21 ARG A 155 123.704 -6.357 -3.670 1.00 0.00 H new ATOM 0 HH22 ARG A 155 124.791 -7.750 -3.668 1.00 0.00 H new ATOM 1970 N ALA A 156 122.588 -5.528 2.823 1.00 0.00 N ATOM 1971 CA ALA A 156 123.138 -6.352 3.940 1.00 0.00 C ATOM 1972 C ALA A 156 124.345 -5.663 4.580 1.00 0.00 C ATOM 1973 O ALA A 156 125.072 -4.932 3.933 1.00 0.00 O ATOM 1974 CB ALA A 156 123.563 -7.667 3.281 1.00 0.00 C ATOM 0 H ALA A 156 123.284 -5.155 2.178 1.00 0.00 H new ATOM 0 HA ALA A 156 122.408 -6.502 4.735 1.00 0.00 H new ATOM 0 HB1 ALA A 156 123.980 -8.334 4.035 1.00 0.00 H new ATOM 0 HB2 ALA A 156 122.696 -8.139 2.819 1.00 0.00 H new ATOM 0 HB3 ALA A 156 124.316 -7.465 2.519 1.00 0.00 H new ATOM 1980 N ALA A 157 124.568 -5.905 5.846 1.00 0.00 N ATOM 1981 CA ALA A 157 125.733 -5.284 6.543 1.00 0.00 C ATOM 1982 C ALA A 157 126.918 -6.253 6.517 1.00 0.00 C ATOM 1983 O ALA A 157 126.739 -7.449 6.437 1.00 0.00 O ATOM 1984 CB ALA A 157 125.262 -5.047 7.977 1.00 0.00 C ATOM 0 H ALA A 157 123.990 -6.509 6.430 1.00 0.00 H new ATOM 0 HA ALA A 157 126.059 -4.357 6.071 1.00 0.00 H new ATOM 0 HB1 ALA A 157 126.067 -4.591 8.554 1.00 0.00 H new ATOM 0 HB2 ALA A 157 124.398 -4.382 7.971 1.00 0.00 H new ATOM 0 HB3 ALA A 157 124.985 -5.998 8.431 1.00 0.00 H new ATOM 1990 N VAL A 158 128.125 -5.743 6.567 1.00 0.00 N ATOM 1991 CA VAL A 158 129.321 -6.640 6.531 1.00 0.00 C ATOM 1992 C VAL A 158 130.160 -6.464 7.800 1.00 0.00 C ATOM 1993 O VAL A 158 130.647 -5.385 8.082 1.00 0.00 O ATOM 1994 CB VAL A 158 130.125 -6.193 5.304 1.00 0.00 C ATOM 1995 CG1 VAL A 158 131.338 -7.107 5.125 1.00 0.00 C ATOM 1996 CG2 VAL A 158 129.249 -6.270 4.048 1.00 0.00 C ATOM 0 H VAL A 158 128.333 -4.746 6.631 1.00 0.00 H new ATOM 0 HA VAL A 158 129.037 -7.691 6.476 1.00 0.00 H new ATOM 0 HB VAL A 158 130.456 -5.165 5.453 1.00 0.00 H new ATOM 0 HG11 VAL A 158 131.908 -6.788 4.253 1.00 0.00 H new ATOM 0 HG12 VAL A 158 131.970 -7.051 6.012 1.00 0.00 H new ATOM 0 HG13 VAL A 158 131.002 -8.134 4.983 1.00 0.00 H new ATOM 0 HG21 VAL A 158 129.827 -5.951 3.181 1.00 0.00 H new ATOM 0 HG22 VAL A 158 128.912 -7.296 3.902 1.00 0.00 H new ATOM 0 HG23 VAL A 158 128.384 -5.618 4.167 1.00 0.00 H new ATOM 2006 N CYS A 159 130.340 -7.516 8.561 1.00 0.00 N ATOM 2007 CA CYS A 159 131.158 -7.408 9.808 1.00 0.00 C ATOM 2008 C CYS A 159 132.019 -8.663 9.997 1.00 0.00 C ATOM 2009 O CYS A 159 131.592 -9.767 9.716 1.00 0.00 O ATOM 2010 CB CYS A 159 130.143 -7.256 10.950 1.00 0.00 C ATOM 2011 SG CYS A 159 129.041 -8.694 11.013 1.00 0.00 S ATOM 0 H CYS A 159 129.957 -8.442 8.373 1.00 0.00 H new ATOM 0 HA CYS A 159 131.847 -6.564 9.773 1.00 0.00 H new ATOM 0 HB2 CYS A 159 130.668 -7.150 11.900 1.00 0.00 H new ATOM 0 HB3 CYS A 159 129.558 -6.348 10.806 1.00 0.00 H new ATOM 0 HG CYS A 159 129.644 -9.725 10.500 1.00 0.00 H new ATOM 2017 N THR A 160 133.227 -8.496 10.475 1.00 0.00 N ATOM 2018 CA THR A 160 134.122 -9.675 10.690 1.00 0.00 C ATOM 2019 C THR A 160 133.600 -10.519 11.858 1.00 0.00 C ATOM 2020 O THR A 160 133.547 -11.732 11.783 1.00 0.00 O ATOM 2021 CB THR A 160 135.495 -9.080 11.023 1.00 0.00 C ATOM 2022 OG1 THR A 160 135.932 -8.271 9.939 1.00 0.00 O ATOM 2023 CG2 THR A 160 136.506 -10.206 11.256 1.00 0.00 C ATOM 0 H THR A 160 133.632 -7.594 10.726 1.00 0.00 H new ATOM 0 HA THR A 160 134.167 -10.328 9.818 1.00 0.00 H new ATOM 0 HB THR A 160 135.416 -8.475 11.926 1.00 0.00 H new ATOM 0 HG1 THR A 160 136.809 -7.888 10.150 1.00 0.00 H new ATOM 0 HG21 THR A 160 137.480 -9.777 11.492 1.00 0.00 H new ATOM 0 HG22 THR A 160 136.172 -10.828 12.086 1.00 0.00 H new ATOM 0 HG23 THR A 160 136.586 -10.815 10.356 1.00 0.00 H new ATOM 2031 N ARG A 161 133.211 -9.880 12.931 1.00 0.00 N ATOM 2032 CA ARG A 161 132.684 -10.630 14.110 1.00 0.00 C ATOM 2033 C ARG A 161 131.622 -9.794 14.836 1.00 0.00 C ATOM 2034 O ARG A 161 131.672 -9.620 16.040 1.00 0.00 O ATOM 2035 CB ARG A 161 133.901 -10.875 15.011 1.00 0.00 C ATOM 2036 CG ARG A 161 134.520 -9.540 15.433 1.00 0.00 C ATOM 2037 CD ARG A 161 135.852 -9.800 16.143 1.00 0.00 C ATOM 2038 NE ARG A 161 136.352 -8.452 16.557 1.00 0.00 N ATOM 2039 CZ ARG A 161 137.436 -8.321 17.295 1.00 0.00 C ATOM 2040 NH1 ARG A 161 138.231 -9.340 17.531 1.00 0.00 N ATOM 2041 NH2 ARG A 161 137.728 -7.154 17.800 1.00 0.00 N ATOM 0 H ARG A 161 133.236 -8.866 13.042 1.00 0.00 H new ATOM 0 HA ARG A 161 132.205 -11.566 13.824 1.00 0.00 H new ATOM 0 HB2 ARG A 161 133.602 -11.441 15.893 1.00 0.00 H new ATOM 0 HB3 ARG A 161 134.640 -11.476 14.482 1.00 0.00 H new ATOM 0 HG2 ARG A 161 134.678 -8.907 14.560 1.00 0.00 H new ATOM 0 HG3 ARG A 161 133.840 -9.004 16.096 1.00 0.00 H new ATOM 0 HD2 ARG A 161 135.716 -10.451 17.007 1.00 0.00 H new ATOM 0 HD3 ARG A 161 136.561 -10.295 15.479 1.00 0.00 H new ATOM 0 HE ARG A 161 135.844 -7.618 16.262 1.00 0.00 H new ATOM 0 HH11 ARG A 161 138.015 -10.257 17.140 1.00 0.00 H new ATOM 0 HH12 ARG A 161 139.065 -9.214 18.105 1.00 0.00 H new ATOM 0 HH21 ARG A 161 137.120 -6.355 17.622 1.00 0.00 H new ATOM 0 HH22 ARG A 161 138.564 -7.041 18.373 1.00 0.00 H new ATOM 2055 N GLY A 162 130.669 -9.272 14.107 1.00 0.00 N ATOM 2056 CA GLY A 162 129.601 -8.439 14.736 1.00 0.00 C ATOM 2057 C GLY A 162 129.932 -6.946 14.586 1.00 0.00 C ATOM 2058 O GLY A 162 129.097 -6.098 14.838 1.00 0.00 O ATOM 0 H GLY A 162 130.585 -9.388 13.097 1.00 0.00 H new ATOM 0 HA2 GLY A 162 128.640 -8.654 14.269 1.00 0.00 H new ATOM 0 HA3 GLY A 162 129.506 -8.693 15.792 1.00 0.00 H new ATOM 2062 N VAL A 163 131.135 -6.615 14.169 1.00 0.00 N ATOM 2063 CA VAL A 163 131.501 -5.176 13.994 1.00 0.00 C ATOM 2064 C VAL A 163 131.437 -4.824 12.507 1.00 0.00 C ATOM 2065 O VAL A 163 132.076 -5.455 11.687 1.00 0.00 O ATOM 2066 CB VAL A 163 132.935 -5.054 14.522 1.00 0.00 C ATOM 2067 CG1 VAL A 163 133.409 -3.603 14.398 1.00 0.00 C ATOM 2068 CG2 VAL A 163 132.976 -5.475 15.994 1.00 0.00 C ATOM 0 H VAL A 163 131.875 -7.280 13.944 1.00 0.00 H new ATOM 0 HA VAL A 163 130.829 -4.500 14.523 1.00 0.00 H new ATOM 0 HB VAL A 163 133.589 -5.701 13.937 1.00 0.00 H new ATOM 0 HG11 VAL A 163 134.429 -3.520 14.774 1.00 0.00 H new ATOM 0 HG12 VAL A 163 133.383 -3.300 13.351 1.00 0.00 H new ATOM 0 HG13 VAL A 163 132.754 -2.955 14.980 1.00 0.00 H new ATOM 0 HG21 VAL A 163 133.996 -5.388 16.369 1.00 0.00 H new ATOM 0 HG22 VAL A 163 132.319 -4.828 16.576 1.00 0.00 H new ATOM 0 HG23 VAL A 163 132.642 -6.509 16.086 1.00 0.00 H new ATOM 2078 N ALA A 164 130.659 -3.833 12.151 1.00 0.00 N ATOM 2079 CA ALA A 164 130.533 -3.457 10.712 1.00 0.00 C ATOM 2080 C ALA A 164 131.620 -2.462 10.305 1.00 0.00 C ATOM 2081 O ALA A 164 131.691 -1.358 10.810 1.00 0.00 O ATOM 2082 CB ALA A 164 129.151 -2.813 10.595 1.00 0.00 C ATOM 0 H ALA A 164 130.106 -3.268 12.796 1.00 0.00 H new ATOM 0 HA ALA A 164 130.647 -4.321 10.057 1.00 0.00 H new ATOM 0 HB1 ALA A 164 128.979 -2.507 9.563 1.00 0.00 H new ATOM 0 HB2 ALA A 164 128.388 -3.532 10.892 1.00 0.00 H new ATOM 0 HB3 ALA A 164 129.100 -1.940 11.246 1.00 0.00 H new ATOM 2088 N LYS A 165 132.456 -2.849 9.376 1.00 0.00 N ATOM 2089 CA LYS A 165 133.537 -1.940 8.897 1.00 0.00 C ATOM 2090 C LYS A 165 133.261 -1.506 7.449 1.00 0.00 C ATOM 2091 O LYS A 165 133.843 -0.559 6.957 1.00 0.00 O ATOM 2092 CB LYS A 165 134.822 -2.766 8.980 1.00 0.00 C ATOM 2093 CG LYS A 165 135.187 -2.992 10.450 1.00 0.00 C ATOM 2094 CD LYS A 165 136.470 -3.820 10.539 1.00 0.00 C ATOM 2095 CE LYS A 165 136.833 -4.043 12.009 1.00 0.00 C ATOM 2096 NZ LYS A 165 137.644 -5.293 12.020 1.00 0.00 N ATOM 0 H LYS A 165 132.435 -3.764 8.926 1.00 0.00 H new ATOM 0 HA LYS A 165 133.605 -1.029 9.492 1.00 0.00 H new ATOM 0 HB2 LYS A 165 134.685 -3.723 8.476 1.00 0.00 H new ATOM 0 HB3 LYS A 165 135.633 -2.249 8.468 1.00 0.00 H new ATOM 0 HG2 LYS A 165 135.325 -2.034 10.952 1.00 0.00 H new ATOM 0 HG3 LYS A 165 134.374 -3.507 10.962 1.00 0.00 H new ATOM 0 HD2 LYS A 165 136.332 -4.778 10.038 1.00 0.00 H new ATOM 0 HD3 LYS A 165 137.283 -3.306 10.026 1.00 0.00 H new ATOM 0 HE2 LYS A 165 137.399 -3.201 12.408 1.00 0.00 H new ATOM 0 HE3 LYS A 165 135.940 -4.147 12.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 137.931 -5.512 12.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 137.077 -6.078 11.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 138.491 -5.162 11.431 1.00 0.00 H new ATOM 2110 N ALA A 166 132.366 -2.187 6.769 1.00 0.00 N ATOM 2111 CA ALA A 166 132.034 -1.816 5.363 1.00 0.00 C ATOM 2112 C ALA A 166 130.541 -2.054 5.114 1.00 0.00 C ATOM 2113 O ALA A 166 129.866 -2.670 5.919 1.00 0.00 O ATOM 2114 CB ALA A 166 132.885 -2.740 4.492 1.00 0.00 C ATOM 0 H ALA A 166 131.851 -2.988 7.134 1.00 0.00 H new ATOM 0 HA ALA A 166 132.237 -0.768 5.144 1.00 0.00 H new ATOM 0 HB1 ALA A 166 132.695 -2.526 3.440 1.00 0.00 H new ATOM 0 HB2 ALA A 166 133.940 -2.576 4.711 1.00 0.00 H new ATOM 0 HB3 ALA A 166 132.628 -3.778 4.703 1.00 0.00 H new ATOM 2120 N VAL A 167 130.016 -1.564 4.019 1.00 0.00 N ATOM 2121 CA VAL A 167 128.559 -1.757 3.733 1.00 0.00 C ATOM 2122 C VAL A 167 128.327 -2.109 2.259 1.00 0.00 C ATOM 2123 O VAL A 167 129.013 -1.625 1.378 1.00 0.00 O ATOM 2124 CB VAL A 167 127.906 -0.414 4.075 1.00 0.00 C ATOM 2125 CG1 VAL A 167 128.118 -0.108 5.558 1.00 0.00 C ATOM 2126 CG2 VAL A 167 128.533 0.704 3.233 1.00 0.00 C ATOM 0 H VAL A 167 130.531 -1.040 3.312 1.00 0.00 H new ATOM 0 HA VAL A 167 128.140 -2.579 4.313 1.00 0.00 H new ATOM 0 HB VAL A 167 126.839 -0.472 3.858 1.00 0.00 H new ATOM 0 HG11 VAL A 167 127.654 0.847 5.802 1.00 0.00 H new ATOM 0 HG12 VAL A 167 127.666 -0.896 6.160 1.00 0.00 H new ATOM 0 HG13 VAL A 167 129.186 -0.057 5.770 1.00 0.00 H new ATOM 0 HG21 VAL A 167 128.063 1.655 3.483 1.00 0.00 H new ATOM 0 HG22 VAL A 167 129.601 0.761 3.442 1.00 0.00 H new ATOM 0 HG23 VAL A 167 128.381 0.491 2.175 1.00 0.00 H new ATOM 2136 N ASP A 168 127.352 -2.943 1.993 1.00 0.00 N ATOM 2137 CA ASP A 168 127.049 -3.333 0.583 1.00 0.00 C ATOM 2138 C ASP A 168 125.601 -2.967 0.235 1.00 0.00 C ATOM 2139 O ASP A 168 124.685 -3.253 0.983 1.00 0.00 O ATOM 2140 CB ASP A 168 127.242 -4.849 0.540 1.00 0.00 C ATOM 2141 CG ASP A 168 128.666 -5.172 0.080 1.00 0.00 C ATOM 2142 OD1 ASP A 168 128.907 -5.114 -1.114 1.00 0.00 O ATOM 2143 OD2 ASP A 168 129.488 -5.468 0.931 1.00 0.00 O ATOM 0 H ASP A 168 126.751 -3.372 2.696 1.00 0.00 H new ATOM 0 HA ASP A 168 127.690 -2.821 -0.134 1.00 0.00 H new ATOM 0 HB2 ASP A 168 127.062 -5.277 1.526 1.00 0.00 H new ATOM 0 HB3 ASP A 168 126.518 -5.299 -0.140 1.00 0.00 H new ATOM 2148 N PHE A 169 125.391 -2.337 -0.895 1.00 0.00 N ATOM 2149 CA PHE A 169 124.004 -1.949 -1.297 1.00 0.00 C ATOM 2150 C PHE A 169 123.814 -2.124 -2.810 1.00 0.00 C ATOM 2151 O PHE A 169 124.758 -2.062 -3.574 1.00 0.00 O ATOM 2152 CB PHE A 169 123.861 -0.473 -0.898 1.00 0.00 C ATOM 2153 CG PHE A 169 124.909 0.361 -1.601 1.00 0.00 C ATOM 2154 CD1 PHE A 169 124.645 0.894 -2.869 1.00 0.00 C ATOM 2155 CD2 PHE A 169 126.141 0.606 -0.983 1.00 0.00 C ATOM 2156 CE1 PHE A 169 125.612 1.669 -3.519 1.00 0.00 C ATOM 2157 CE2 PHE A 169 127.109 1.381 -1.634 1.00 0.00 C ATOM 2158 CZ PHE A 169 126.845 1.913 -2.901 1.00 0.00 C ATOM 0 H PHE A 169 126.122 -2.075 -1.557 1.00 0.00 H new ATOM 0 HA PHE A 169 123.251 -2.571 -0.813 1.00 0.00 H new ATOM 0 HB2 PHE A 169 122.865 -0.113 -1.157 1.00 0.00 H new ATOM 0 HB3 PHE A 169 123.967 -0.369 0.182 1.00 0.00 H new ATOM 0 HD1 PHE A 169 123.694 0.707 -3.346 1.00 0.00 H new ATOM 0 HD2 PHE A 169 126.345 0.197 -0.004 1.00 0.00 H new ATOM 0 HE1 PHE A 169 125.408 2.079 -4.497 1.00 0.00 H new ATOM 0 HE2 PHE A 169 128.060 1.568 -1.158 1.00 0.00 H new ATOM 0 HZ PHE A 169 127.592 2.511 -3.402 1.00 0.00 H new ATOM 2168 N VAL A 170 122.595 -2.337 -3.241 1.00 0.00 N ATOM 2169 CA VAL A 170 122.329 -2.514 -4.702 1.00 0.00 C ATOM 2170 C VAL A 170 121.974 -1.154 -5.337 1.00 0.00 C ATOM 2171 O VAL A 170 121.137 -0.443 -4.817 1.00 0.00 O ATOM 2172 CB VAL A 170 121.131 -3.470 -4.778 1.00 0.00 C ATOM 2173 CG1 VAL A 170 120.740 -3.709 -6.245 1.00 0.00 C ATOM 2174 CG2 VAL A 170 121.502 -4.807 -4.127 1.00 0.00 C ATOM 0 H VAL A 170 121.771 -2.396 -2.642 1.00 0.00 H new ATOM 0 HA VAL A 170 123.194 -2.906 -5.237 1.00 0.00 H new ATOM 0 HB VAL A 170 120.287 -3.025 -4.251 1.00 0.00 H new ATOM 0 HG11 VAL A 170 119.889 -4.389 -6.289 1.00 0.00 H new ATOM 0 HG12 VAL A 170 120.471 -2.760 -6.709 1.00 0.00 H new ATOM 0 HG13 VAL A 170 121.583 -4.148 -6.779 1.00 0.00 H new ATOM 0 HG21 VAL A 170 120.651 -5.486 -4.181 1.00 0.00 H new ATOM 0 HG22 VAL A 170 122.350 -5.245 -4.653 1.00 0.00 H new ATOM 0 HG23 VAL A 170 121.769 -4.642 -3.083 1.00 0.00 H new ATOM 2184 N PRO A 171 122.614 -0.826 -6.443 1.00 0.00 N ATOM 2185 CA PRO A 171 122.324 0.465 -7.115 1.00 0.00 C ATOM 2186 C PRO A 171 120.960 0.410 -7.809 1.00 0.00 C ATOM 2187 O PRO A 171 120.436 -0.654 -8.080 1.00 0.00 O ATOM 2188 CB PRO A 171 123.449 0.603 -8.138 1.00 0.00 C ATOM 2189 CG PRO A 171 123.898 -0.797 -8.414 1.00 0.00 C ATOM 2190 CD PRO A 171 123.641 -1.599 -7.164 1.00 0.00 C ATOM 0 HA PRO A 171 122.281 1.306 -6.423 1.00 0.00 H new ATOM 0 HB2 PRO A 171 123.098 1.091 -9.047 1.00 0.00 H new ATOM 0 HB3 PRO A 171 124.266 1.209 -7.746 1.00 0.00 H new ATOM 0 HG2 PRO A 171 123.353 -1.217 -9.260 1.00 0.00 H new ATOM 0 HG3 PRO A 171 124.956 -0.818 -8.674 1.00 0.00 H new ATOM 0 HD2 PRO A 171 123.290 -2.604 -7.400 1.00 0.00 H new ATOM 0 HD3 PRO A 171 124.547 -1.710 -6.569 1.00 0.00 H new ATOM 2198 N VAL A 172 120.385 1.550 -8.095 1.00 0.00 N ATOM 2199 CA VAL A 172 119.050 1.574 -8.771 1.00 0.00 C ATOM 2200 C VAL A 172 119.187 1.081 -10.216 1.00 0.00 C ATOM 2201 O VAL A 172 118.288 0.471 -10.760 1.00 0.00 O ATOM 2202 CB VAL A 172 118.604 3.042 -8.737 1.00 0.00 C ATOM 2203 CG1 VAL A 172 117.234 3.187 -9.407 1.00 0.00 C ATOM 2204 CG2 VAL A 172 118.504 3.511 -7.282 1.00 0.00 C ATOM 0 H VAL A 172 120.782 2.467 -7.890 1.00 0.00 H new ATOM 0 HA VAL A 172 118.325 0.925 -8.279 1.00 0.00 H new ATOM 0 HB VAL A 172 119.334 3.649 -9.272 1.00 0.00 H new ATOM 0 HG11 VAL A 172 116.924 4.232 -9.379 1.00 0.00 H new ATOM 0 HG12 VAL A 172 117.299 2.855 -10.443 1.00 0.00 H new ATOM 0 HG13 VAL A 172 116.503 2.577 -8.876 1.00 0.00 H new ATOM 0 HG21 VAL A 172 118.187 4.554 -7.257 1.00 0.00 H new ATOM 0 HG22 VAL A 172 117.776 2.898 -6.751 1.00 0.00 H new ATOM 0 HG23 VAL A 172 119.478 3.416 -6.801 1.00 0.00 H new ATOM 2214 N GLU A 173 120.303 1.352 -10.840 1.00 0.00 N ATOM 2215 CA GLU A 173 120.507 0.910 -12.256 1.00 0.00 C ATOM 2216 C GLU A 173 120.414 -0.614 -12.363 1.00 0.00 C ATOM 2217 O GLU A 173 119.867 -1.146 -13.310 1.00 0.00 O ATOM 2218 CB GLU A 173 121.917 1.378 -12.621 1.00 0.00 C ATOM 2219 CG GLU A 173 122.147 1.197 -14.124 1.00 0.00 C ATOM 2220 CD GLU A 173 123.487 1.822 -14.542 1.00 0.00 C ATOM 2221 OE1 GLU A 173 123.807 1.744 -15.717 1.00 0.00 O ATOM 2222 OE2 GLU A 173 124.170 2.368 -13.688 1.00 0.00 O ATOM 0 H GLU A 173 121.086 1.862 -10.431 1.00 0.00 H new ATOM 0 HA GLU A 173 119.749 1.323 -12.922 1.00 0.00 H new ATOM 0 HB2 GLU A 173 122.046 2.425 -12.347 1.00 0.00 H new ATOM 0 HB3 GLU A 173 122.657 0.808 -12.059 1.00 0.00 H new ATOM 0 HG2 GLU A 173 122.140 0.136 -14.374 1.00 0.00 H new ATOM 0 HG3 GLU A 173 121.333 1.661 -14.681 1.00 0.00 H new ATOM 2229 N SER A 174 120.962 -1.318 -11.405 1.00 0.00 N ATOM 2230 CA SER A 174 120.929 -2.814 -11.452 1.00 0.00 C ATOM 2231 C SER A 174 119.492 -3.343 -11.348 1.00 0.00 C ATOM 2232 O SER A 174 119.207 -4.452 -11.760 1.00 0.00 O ATOM 2233 CB SER A 174 121.754 -3.272 -10.249 1.00 0.00 C ATOM 2234 OG SER A 174 123.138 -3.188 -10.570 1.00 0.00 O ATOM 0 H SER A 174 121.432 -0.922 -10.591 1.00 0.00 H new ATOM 0 HA SER A 174 121.327 -3.191 -12.394 1.00 0.00 H new ATOM 0 HB2 SER A 174 121.531 -2.650 -9.382 1.00 0.00 H new ATOM 0 HB3 SER A 174 121.492 -4.296 -9.982 1.00 0.00 H new ATOM 0 HG SER A 174 123.671 -3.479 -9.801 1.00 0.00 H new ATOM 2240 N MET A 175 118.590 -2.571 -10.794 1.00 0.00 N ATOM 2241 CA MET A 175 117.174 -3.043 -10.658 1.00 0.00 C ATOM 2242 C MET A 175 116.575 -3.349 -12.035 1.00 0.00 C ATOM 2243 O MET A 175 115.786 -4.263 -12.188 1.00 0.00 O ATOM 2244 CB MET A 175 116.417 -1.887 -9.999 1.00 0.00 C ATOM 2245 CG MET A 175 116.870 -1.739 -8.546 1.00 0.00 C ATOM 2246 SD MET A 175 115.972 -0.370 -7.772 1.00 0.00 S ATOM 2247 CE MET A 175 116.676 -0.545 -6.115 1.00 0.00 C ATOM 0 H MET A 175 118.771 -1.635 -10.430 1.00 0.00 H new ATOM 0 HA MET A 175 117.111 -3.959 -10.070 1.00 0.00 H new ATOM 0 HB2 MET A 175 116.601 -0.961 -10.544 1.00 0.00 H new ATOM 0 HB3 MET A 175 115.344 -2.072 -10.039 1.00 0.00 H new ATOM 0 HG2 MET A 175 116.685 -2.664 -8.000 1.00 0.00 H new ATOM 0 HG3 MET A 175 117.943 -1.553 -8.505 1.00 0.00 H new ATOM 0 HE1 MET A 175 116.424 0.332 -5.518 1.00 0.00 H new ATOM 0 HE2 MET A 175 116.269 -1.437 -5.639 1.00 0.00 H new ATOM 0 HE3 MET A 175 117.760 -0.635 -6.188 1.00 0.00 H new ATOM 2257 N GLU A 176 116.937 -2.583 -13.031 1.00 0.00 N ATOM 2258 CA GLU A 176 116.385 -2.813 -14.404 1.00 0.00 C ATOM 2259 C GLU A 176 116.742 -4.219 -14.902 1.00 0.00 C ATOM 2260 O GLU A 176 115.991 -4.832 -15.636 1.00 0.00 O ATOM 2261 CB GLU A 176 117.043 -1.745 -15.285 1.00 0.00 C ATOM 2262 CG GLU A 176 116.520 -1.863 -16.722 1.00 0.00 C ATOM 2263 CD GLU A 176 117.157 -0.784 -17.612 1.00 0.00 C ATOM 2264 OE1 GLU A 176 117.807 0.104 -17.080 1.00 0.00 O ATOM 2265 OE2 GLU A 176 116.983 -0.867 -18.817 1.00 0.00 O ATOM 0 H GLU A 176 117.593 -1.805 -12.955 1.00 0.00 H new ATOM 0 HA GLU A 176 115.297 -2.743 -14.422 1.00 0.00 H new ATOM 0 HB2 GLU A 176 116.828 -0.752 -14.890 1.00 0.00 H new ATOM 0 HB3 GLU A 176 118.126 -1.866 -15.271 1.00 0.00 H new ATOM 0 HG2 GLU A 176 116.748 -2.852 -17.119 1.00 0.00 H new ATOM 0 HG3 GLU A 176 115.435 -1.758 -16.731 1.00 0.00 H new ATOM 2272 N THR A 177 117.884 -4.729 -14.514 1.00 0.00 N ATOM 2273 CA THR A 177 118.295 -6.095 -14.970 1.00 0.00 C ATOM 2274 C THR A 177 117.270 -7.141 -14.516 1.00 0.00 C ATOM 2275 O THR A 177 116.945 -8.059 -15.246 1.00 0.00 O ATOM 2276 CB THR A 177 119.655 -6.347 -14.307 1.00 0.00 C ATOM 2277 OG1 THR A 177 120.576 -5.352 -14.731 1.00 0.00 O ATOM 2278 CG2 THR A 177 120.181 -7.729 -14.707 1.00 0.00 C ATOM 0 H THR A 177 118.550 -4.259 -13.901 1.00 0.00 H new ATOM 0 HA THR A 177 118.354 -6.164 -16.056 1.00 0.00 H new ATOM 0 HB THR A 177 119.540 -6.306 -13.224 1.00 0.00 H new ATOM 0 HG1 THR A 177 121.446 -5.509 -14.308 1.00 0.00 H new ATOM 0 HG21 THR A 177 121.147 -7.902 -14.233 1.00 0.00 H new ATOM 0 HG22 THR A 177 119.476 -8.494 -14.383 1.00 0.00 H new ATOM 0 HG23 THR A 177 120.295 -7.775 -15.790 1.00 0.00 H new ATOM 2286 N THR A 178 116.765 -7.012 -13.316 1.00 0.00 N ATOM 2287 CA THR A 178 115.764 -8.002 -12.807 1.00 0.00 C ATOM 2288 C THR A 178 114.443 -7.871 -13.569 1.00 0.00 C ATOM 2289 O THR A 178 113.746 -8.844 -13.790 1.00 0.00 O ATOM 2290 CB THR A 178 115.559 -7.646 -11.332 1.00 0.00 C ATOM 2291 OG1 THR A 178 116.823 -7.553 -10.690 1.00 0.00 O ATOM 2292 CG2 THR A 178 114.721 -8.733 -10.657 1.00 0.00 C ATOM 0 H THR A 178 117.002 -6.264 -12.665 1.00 0.00 H new ATOM 0 HA THR A 178 116.108 -9.028 -12.938 1.00 0.00 H new ATOM 0 HB THR A 178 115.041 -6.690 -11.256 1.00 0.00 H new ATOM 0 HG1 THR A 178 117.140 -8.451 -10.459 1.00 0.00 H new ATOM 0 HG21 THR A 178 114.575 -8.480 -9.607 1.00 0.00 H new ATOM 0 HG22 THR A 178 113.752 -8.805 -11.151 1.00 0.00 H new ATOM 0 HG23 THR A 178 115.238 -9.690 -10.731 1.00 0.00 H new ATOM 2300 N MET A 179 114.090 -6.672 -13.959 1.00 0.00 N ATOM 2301 CA MET A 179 112.804 -6.467 -14.697 1.00 0.00 C ATOM 2302 C MET A 179 112.794 -7.273 -16.000 1.00 0.00 C ATOM 2303 O MET A 179 111.797 -7.872 -16.358 1.00 0.00 O ATOM 2304 CB MET A 179 112.748 -4.968 -14.998 1.00 0.00 C ATOM 2305 CG MET A 179 111.352 -4.604 -15.500 1.00 0.00 C ATOM 2306 SD MET A 179 111.361 -2.909 -16.134 1.00 0.00 S ATOM 2307 CE MET A 179 112.144 -3.268 -17.726 1.00 0.00 C ATOM 0 H MET A 179 114.636 -5.826 -13.799 1.00 0.00 H new ATOM 0 HA MET A 179 111.945 -6.800 -14.114 1.00 0.00 H new ATOM 0 HB2 MET A 179 112.984 -4.396 -14.100 1.00 0.00 H new ATOM 0 HB3 MET A 179 113.495 -4.708 -15.748 1.00 0.00 H new ATOM 0 HG2 MET A 179 111.044 -5.295 -16.285 1.00 0.00 H new ATOM 0 HG3 MET A 179 110.627 -4.697 -14.691 1.00 0.00 H new ATOM 0 HE1 MET A 179 113.040 -2.657 -17.837 1.00 0.00 H new ATOM 0 HE2 MET A 179 112.416 -4.323 -17.768 1.00 0.00 H new ATOM 0 HE3 MET A 179 111.448 -3.041 -18.533 1.00 0.00 H new ATOM 2317 N ARG A 180 113.893 -7.287 -16.711 1.00 0.00 N ATOM 2318 CA ARG A 180 113.947 -8.052 -17.996 1.00 0.00 C ATOM 2319 C ARG A 180 113.703 -9.541 -17.740 1.00 0.00 C ATOM 2320 O ARG A 180 113.022 -10.205 -18.500 1.00 0.00 O ATOM 2321 CB ARG A 180 115.359 -7.825 -18.542 1.00 0.00 C ATOM 2322 CG ARG A 180 115.499 -6.372 -19.001 1.00 0.00 C ATOM 2323 CD ARG A 180 116.909 -6.141 -19.547 1.00 0.00 C ATOM 2324 NE ARG A 180 116.936 -4.706 -19.945 1.00 0.00 N ATOM 2325 CZ ARG A 180 117.152 -4.378 -21.190 1.00 0.00 C ATOM 2326 NH1 ARG A 180 116.155 -4.021 -21.953 1.00 0.00 N ATOM 2327 NH2 ARG A 180 118.365 -4.405 -21.670 1.00 0.00 N ATOM 0 H ARG A 180 114.755 -6.803 -16.459 1.00 0.00 H new ATOM 0 HA ARG A 180 113.183 -7.722 -18.700 1.00 0.00 H new ATOM 0 HB2 ARG A 180 116.098 -8.048 -17.773 1.00 0.00 H new ATOM 0 HB3 ARG A 180 115.552 -8.501 -19.375 1.00 0.00 H new ATOM 0 HG2 ARG A 180 114.759 -6.150 -19.770 1.00 0.00 H new ATOM 0 HG3 ARG A 180 115.305 -5.696 -18.168 1.00 0.00 H new ATOM 0 HD2 ARG A 180 117.665 -6.356 -18.792 1.00 0.00 H new ATOM 0 HD3 ARG A 180 117.115 -6.791 -20.398 1.00 0.00 H new ATOM 0 HE ARG A 180 116.786 -3.980 -19.245 1.00 0.00 H new ATOM 0 HH11 ARG A 180 115.207 -3.998 -21.576 1.00 0.00 H new ATOM 0 HH12 ARG A 180 116.324 -3.765 -22.926 1.00 0.00 H new ATOM 0 HH21 ARG A 180 119.144 -4.682 -21.073 1.00 0.00 H new ATOM 0 HH22 ARG A 180 118.534 -4.149 -22.643 1.00 0.00 H new ATOM 2341 N ALA A 181 114.252 -10.068 -16.675 1.00 0.00 N ATOM 2342 CA ALA A 181 114.055 -11.516 -16.363 1.00 0.00 C ATOM 2343 C ALA A 181 112.713 -11.728 -15.656 1.00 0.00 C ATOM 2344 O ALA A 181 111.676 -11.316 -16.137 1.00 0.00 O ATOM 2345 CB ALA A 181 115.214 -11.885 -15.436 1.00 0.00 C ATOM 0 H ALA A 181 114.829 -9.557 -16.007 1.00 0.00 H new ATOM 0 HA ALA A 181 114.041 -12.133 -17.262 1.00 0.00 H new ATOM 0 HB1 ALA A 181 115.139 -12.937 -15.161 1.00 0.00 H new ATOM 0 HB2 ALA A 181 116.160 -11.710 -15.949 1.00 0.00 H new ATOM 0 HB3 ALA A 181 115.170 -11.271 -14.536 1.00 0.00 H new