USER MOD reduce.3.24.130724 H: found=0, std=0, add=1020, rem=0, adj=40 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 160 THR OG1 : rot -139:sc= 1.1 USER MOD Set 1.2: A 165 LYS NZ :NH3+ -176:sc= 1.23 (180deg=0) USER MOD Set 2.1: A 97 CYS SG : rot 101:sc= 1.48 USER MOD Set 2.2: A 99 CYS SG : rot -49:sc= -0.189 USER MOD Set 2.3: A 145 CYS SG : rot -78:sc= 3.53 USER MOD Set 2.4: A 147 SER OG : rot -109:sc= 1.32 USER MOD Set 3.1: A 110 HIS : no HE2:sc= -3.65 K(o=-3.7,f=-6.9!) USER MOD Set 3.2: A 134 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 80 GLN : amide:sc= -0.701 K(o=-1.7,f=0.6!) USER MOD Set 4.2: A 174 SER OG : rot 180:sc= -0.981 USER MOD Set 5.1: A 74 MET CE :methyl 172:sc= 0 (180deg=0) USER MOD Set 5.2: A 86 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Set 6.1: A 73 GLN : amide:sc= -1.87 K(o=-3.8,f=-6.5!) USER MOD Set 6.2: A 76 THR OG1 : rot -134:sc= -1.93 USER MOD Set 7.1: A 37 SER OG : rot -55:sc= 0.865 USER MOD Set 7.2: A 42 SER OG : rot 16:sc= 1.06 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 38 THR OG1 : rot -160:sc= -0.0226 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00486 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 46 THR OG1 : rot 150:sc= -0.722 USER MOD Single : A 47 CYS SG : rot -111:sc= 0.931 USER MOD Single : A 49 ASN : amide:sc= -0.221 X(o=-0.22,f=-0.37) USER MOD Single : A 52 CYS SG : rot 34:sc= 0.0959 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HE2:sc= -6.86! C(o=-6.9!,f=-10!) USER MOD Single : A 72 THR OG1 : rot -34:sc= 0.369 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -2.04 K(o=-2,f=-4.4!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc=-0.00251 USER MOD Single : A 101 SER OG : rot -130:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot -87:sc= -1.03 USER MOD Single : A 122 SER OG : rot 180:sc= -1.06 USER MOD Single : A 125 SER OG : rot 180:sc= -0.399 USER MOD Single : A 128 SER OG : rot 49:sc= 0.473 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 SER OG : rot -100:sc= 0 USER MOD Single : A 139 SER OG : rot 180:sc= 0.00972 USER MOD Single : A 149 HIS : no HD1:sc= -1.55 K(o=-1.6,f=-0.3) USER MOD Single : A 159 CYS SG : rot 24:sc= -2.22! USER MOD Single : A 175 MET CE :methyl -179:sc= -0.798 (180deg=-0.81) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot 87:sc= 0.013 USER MOD Single : A 179 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 149 N GLU A 32 112.071 10.715 -0.740 1.00 0.00 N ATOM 150 CA GLU A 32 110.702 10.107 -0.737 1.00 0.00 C ATOM 151 C GLU A 32 110.759 8.661 -0.231 1.00 0.00 C ATOM 152 O GLU A 32 110.441 7.726 -0.947 1.00 0.00 O ATOM 153 CB GLU A 32 110.220 10.159 -2.194 1.00 0.00 C ATOM 154 CG GLU A 32 111.235 9.477 -3.120 1.00 0.00 C ATOM 155 CD GLU A 32 110.593 9.238 -4.489 1.00 0.00 C ATOM 156 OE1 GLU A 32 111.311 9.288 -5.474 1.00 0.00 O ATOM 157 OE2 GLU A 32 109.396 9.005 -4.530 1.00 0.00 O ATOM 0 HA GLU A 32 110.023 10.644 -0.075 1.00 0.00 H new ATOM 0 HB2 GLU A 32 109.251 9.666 -2.281 1.00 0.00 H new ATOM 0 HB3 GLU A 32 110.079 11.196 -2.500 1.00 0.00 H new ATOM 0 HG2 GLU A 32 112.123 10.100 -3.226 1.00 0.00 H new ATOM 0 HG3 GLU A 32 111.560 8.530 -2.688 1.00 0.00 H new ATOM 164 N VAL A 33 111.153 8.475 1.004 1.00 0.00 N ATOM 165 CA VAL A 33 111.227 7.095 1.573 1.00 0.00 C ATOM 166 C VAL A 33 110.204 6.945 2.705 1.00 0.00 C ATOM 167 O VAL A 33 110.190 7.717 3.646 1.00 0.00 O ATOM 168 CB VAL A 33 112.656 6.958 2.112 1.00 0.00 C ATOM 169 CG1 VAL A 33 112.846 5.568 2.726 1.00 0.00 C ATOM 170 CG2 VAL A 33 113.656 7.145 0.969 1.00 0.00 C ATOM 0 H VAL A 33 111.427 9.221 1.644 1.00 0.00 H new ATOM 0 HA VAL A 33 111.003 6.327 0.833 1.00 0.00 H new ATOM 0 HB VAL A 33 112.825 7.719 2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 33 113.863 5.475 3.108 1.00 0.00 H new ATOM 0 HG12 VAL A 33 112.138 5.431 3.543 1.00 0.00 H new ATOM 0 HG13 VAL A 33 112.673 4.807 1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 33 114.671 7.047 1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 33 113.483 6.386 0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 33 113.528 8.135 0.532 1.00 0.00 H new ATOM 180 N GLN A 34 109.353 5.956 2.618 1.00 0.00 N ATOM 181 CA GLN A 34 108.327 5.745 3.684 1.00 0.00 C ATOM 182 C GLN A 34 108.744 4.586 4.592 1.00 0.00 C ATOM 183 O GLN A 34 109.239 3.574 4.133 1.00 0.00 O ATOM 184 CB GLN A 34 107.037 5.407 2.936 1.00 0.00 C ATOM 185 CG GLN A 34 106.522 6.655 2.215 1.00 0.00 C ATOM 186 CD GLN A 34 105.233 6.315 1.464 1.00 0.00 C ATOM 187 OE1 GLN A 34 105.184 5.352 0.724 1.00 0.00 O ATOM 188 NE2 GLN A 34 104.180 7.070 1.625 1.00 0.00 N ATOM 0 H GLN A 34 109.324 5.283 1.852 1.00 0.00 H new ATOM 0 HA GLN A 34 108.206 6.621 4.321 1.00 0.00 H new ATOM 0 HB2 GLN A 34 107.220 4.608 2.217 1.00 0.00 H new ATOM 0 HB3 GLN A 34 106.284 5.041 3.634 1.00 0.00 H new ATOM 0 HG2 GLN A 34 106.337 7.453 2.934 1.00 0.00 H new ATOM 0 HG3 GLN A 34 107.275 7.022 1.518 1.00 0.00 H new ATOM 0 HE21 GLN A 34 104.222 7.878 2.246 1.00 0.00 H new ATOM 0 HE22 GLN A 34 103.315 6.852 1.130 1.00 0.00 H new ATOM 197 N VAL A 35 108.550 4.731 5.878 1.00 0.00 N ATOM 198 CA VAL A 35 108.936 3.640 6.824 1.00 0.00 C ATOM 199 C VAL A 35 107.780 2.649 7.000 1.00 0.00 C ATOM 200 O VAL A 35 106.647 3.034 7.221 1.00 0.00 O ATOM 201 CB VAL A 35 109.258 4.346 8.150 1.00 0.00 C ATOM 202 CG1 VAL A 35 110.414 5.328 7.934 1.00 0.00 C ATOM 203 CG2 VAL A 35 108.022 5.105 8.662 1.00 0.00 C ATOM 0 H VAL A 35 108.141 5.557 6.314 1.00 0.00 H new ATOM 0 HA VAL A 35 109.787 3.065 6.458 1.00 0.00 H new ATOM 0 HB VAL A 35 109.544 3.600 8.892 1.00 0.00 H new ATOM 0 HG11 VAL A 35 110.645 5.831 8.873 1.00 0.00 H new ATOM 0 HG12 VAL A 35 111.293 4.785 7.588 1.00 0.00 H new ATOM 0 HG13 VAL A 35 110.128 6.068 7.187 1.00 0.00 H new ATOM 0 HG21 VAL A 35 108.263 5.601 9.602 1.00 0.00 H new ATOM 0 HG22 VAL A 35 107.722 5.850 7.925 1.00 0.00 H new ATOM 0 HG23 VAL A 35 107.204 4.403 8.822 1.00 0.00 H new ATOM 213 N VAL A 36 108.062 1.373 6.902 1.00 0.00 N ATOM 214 CA VAL A 36 106.989 0.346 7.059 1.00 0.00 C ATOM 215 C VAL A 36 107.430 -0.739 8.050 1.00 0.00 C ATOM 216 O VAL A 36 108.606 -0.910 8.310 1.00 0.00 O ATOM 217 CB VAL A 36 106.785 -0.244 5.658 1.00 0.00 C ATOM 218 CG1 VAL A 36 106.341 0.861 4.698 1.00 0.00 C ATOM 219 CG2 VAL A 36 108.099 -0.853 5.152 1.00 0.00 C ATOM 0 H VAL A 36 108.993 0.999 6.719 1.00 0.00 H new ATOM 0 HA VAL A 36 106.067 0.773 7.453 1.00 0.00 H new ATOM 0 HB VAL A 36 106.021 -1.020 5.706 1.00 0.00 H new ATOM 0 HG11 VAL A 36 106.196 0.442 3.702 1.00 0.00 H new ATOM 0 HG12 VAL A 36 105.404 1.294 5.049 1.00 0.00 H new ATOM 0 HG13 VAL A 36 107.106 1.636 4.657 1.00 0.00 H new ATOM 0 HG21 VAL A 36 107.947 -1.270 4.157 1.00 0.00 H new ATOM 0 HG22 VAL A 36 108.865 -0.079 5.108 1.00 0.00 H new ATOM 0 HG23 VAL A 36 108.419 -1.643 5.831 1.00 0.00 H new ATOM 229 N SER A 37 106.493 -1.470 8.600 1.00 0.00 N ATOM 230 CA SER A 37 106.851 -2.546 9.573 1.00 0.00 C ATOM 231 C SER A 37 106.051 -3.819 9.279 1.00 0.00 C ATOM 232 O SER A 37 104.966 -3.768 8.732 1.00 0.00 O ATOM 233 CB SER A 37 106.477 -1.981 10.943 1.00 0.00 C ATOM 234 OG SER A 37 107.240 -0.808 11.193 1.00 0.00 O ATOM 0 H SER A 37 105.495 -1.368 8.417 1.00 0.00 H new ATOM 0 HA SER A 37 107.905 -2.817 9.517 1.00 0.00 H new ATOM 0 HB2 SER A 37 105.412 -1.750 10.975 1.00 0.00 H new ATOM 0 HB3 SER A 37 106.665 -2.723 11.719 1.00 0.00 H new ATOM 0 HG SER A 37 108.194 -1.013 11.104 1.00 0.00 H new ATOM 240 N THR A 38 106.583 -4.958 9.643 1.00 0.00 N ATOM 241 CA THR A 38 105.863 -6.244 9.393 1.00 0.00 C ATOM 242 C THR A 38 105.550 -6.933 10.719 1.00 0.00 C ATOM 243 O THR A 38 105.862 -6.425 11.780 1.00 0.00 O ATOM 244 CB THR A 38 106.818 -7.094 8.547 1.00 0.00 C ATOM 245 OG1 THR A 38 107.535 -6.256 7.652 1.00 0.00 O ATOM 246 CG2 THR A 38 106.020 -8.123 7.745 1.00 0.00 C ATOM 0 H THR A 38 107.488 -5.053 10.104 1.00 0.00 H new ATOM 0 HA THR A 38 104.913 -6.090 8.882 1.00 0.00 H new ATOM 0 HB THR A 38 107.517 -7.609 9.206 1.00 0.00 H new ATOM 0 HG1 THR A 38 107.890 -6.794 6.914 1.00 0.00 H new ATOM 0 HG21 THR A 38 106.702 -8.725 7.145 1.00 0.00 H new ATOM 0 HG22 THR A 38 105.470 -8.770 8.428 1.00 0.00 H new ATOM 0 HG23 THR A 38 105.318 -7.608 7.089 1.00 0.00 H new ATOM 254 N ALA A 39 104.916 -8.073 10.665 1.00 0.00 N ATOM 255 CA ALA A 39 104.556 -8.791 11.921 1.00 0.00 C ATOM 256 C ALA A 39 105.799 -9.378 12.603 1.00 0.00 C ATOM 257 O ALA A 39 105.795 -9.622 13.795 1.00 0.00 O ATOM 258 CB ALA A 39 103.605 -9.909 11.488 1.00 0.00 C ATOM 0 H ALA A 39 104.631 -8.539 9.803 1.00 0.00 H new ATOM 0 HA ALA A 39 104.098 -8.118 12.646 1.00 0.00 H new ATOM 0 HB1 ALA A 39 103.296 -10.483 12.362 1.00 0.00 H new ATOM 0 HB2 ALA A 39 102.727 -9.475 11.010 1.00 0.00 H new ATOM 0 HB3 ALA A 39 104.114 -10.567 10.783 1.00 0.00 H new ATOM 264 N THR A 40 106.854 -9.619 11.861 1.00 0.00 N ATOM 265 CA THR A 40 108.084 -10.206 12.481 1.00 0.00 C ATOM 266 C THR A 40 109.293 -9.276 12.316 1.00 0.00 C ATOM 267 O THR A 40 110.203 -9.291 13.125 1.00 0.00 O ATOM 268 CB THR A 40 108.315 -11.517 11.728 1.00 0.00 C ATOM 269 OG1 THR A 40 108.273 -11.271 10.329 1.00 0.00 O ATOM 270 CG2 THR A 40 107.226 -12.523 12.104 1.00 0.00 C ATOM 0 H THR A 40 106.917 -9.436 10.860 1.00 0.00 H new ATOM 0 HA THR A 40 107.960 -10.355 13.554 1.00 0.00 H new ATOM 0 HB THR A 40 109.290 -11.924 11.997 1.00 0.00 H new ATOM 0 HG1 THR A 40 108.423 -12.110 9.845 1.00 0.00 H new ATOM 0 HG21 THR A 40 107.392 -13.457 11.567 1.00 0.00 H new ATOM 0 HG22 THR A 40 107.259 -12.711 13.177 1.00 0.00 H new ATOM 0 HG23 THR A 40 106.250 -12.119 11.837 1.00 0.00 H new ATOM 278 N GLN A 41 109.316 -8.477 11.279 1.00 0.00 N ATOM 279 CA GLN A 41 110.476 -7.555 11.069 1.00 0.00 C ATOM 280 C GLN A 41 110.002 -6.209 10.515 1.00 0.00 C ATOM 281 O GLN A 41 108.890 -6.080 10.040 1.00 0.00 O ATOM 282 CB GLN A 41 111.368 -8.264 10.049 1.00 0.00 C ATOM 283 CG GLN A 41 112.007 -9.499 10.690 1.00 0.00 C ATOM 284 CD GLN A 41 112.887 -10.209 9.659 1.00 0.00 C ATOM 285 OE1 GLN A 41 113.432 -9.581 8.772 1.00 0.00 O ATOM 286 NE2 GLN A 41 113.050 -11.502 9.736 1.00 0.00 N ATOM 0 H GLN A 41 108.585 -8.422 10.570 1.00 0.00 H new ATOM 0 HA GLN A 41 111.002 -7.345 12.000 1.00 0.00 H new ATOM 0 HB2 GLN A 41 110.780 -8.557 9.179 1.00 0.00 H new ATOM 0 HB3 GLN A 41 112.143 -7.584 9.695 1.00 0.00 H new ATOM 0 HG2 GLN A 41 112.604 -9.206 11.554 1.00 0.00 H new ATOM 0 HG3 GLN A 41 111.233 -10.176 11.052 1.00 0.00 H new ATOM 0 HE21 GLN A 41 112.593 -12.030 10.480 1.00 0.00 H new ATOM 0 HE22 GLN A 41 113.634 -11.984 9.053 1.00 0.00 H new ATOM 295 N SER A 42 110.844 -5.207 10.568 1.00 0.00 N ATOM 296 CA SER A 42 110.454 -3.866 10.041 1.00 0.00 C ATOM 297 C SER A 42 111.547 -3.325 9.116 1.00 0.00 C ATOM 298 O SER A 42 112.698 -3.217 9.493 1.00 0.00 O ATOM 299 CB SER A 42 110.305 -2.979 11.276 1.00 0.00 C ATOM 300 OG SER A 42 109.955 -1.663 10.869 1.00 0.00 O ATOM 0 H SER A 42 111.786 -5.262 10.955 1.00 0.00 H new ATOM 0 HA SER A 42 109.534 -3.903 9.457 1.00 0.00 H new ATOM 0 HB2 SER A 42 109.539 -3.383 11.938 1.00 0.00 H new ATOM 0 HB3 SER A 42 111.237 -2.962 11.840 1.00 0.00 H new ATOM 0 HG SER A 42 109.644 -1.680 9.940 1.00 0.00 H new ATOM 306 N PHE A 43 111.188 -2.986 7.906 1.00 0.00 N ATOM 307 CA PHE A 43 112.193 -2.449 6.930 1.00 0.00 C ATOM 308 C PHE A 43 111.634 -1.209 6.227 1.00 0.00 C ATOM 309 O PHE A 43 110.514 -0.801 6.471 1.00 0.00 O ATOM 310 CB PHE A 43 112.468 -3.574 5.905 1.00 0.00 C ATOM 311 CG PHE A 43 111.200 -4.337 5.573 1.00 0.00 C ATOM 312 CD1 PHE A 43 110.875 -5.490 6.298 1.00 0.00 C ATOM 313 CD2 PHE A 43 110.352 -3.890 4.555 1.00 0.00 C ATOM 314 CE1 PHE A 43 109.709 -6.194 6.008 1.00 0.00 C ATOM 315 CE2 PHE A 43 109.181 -4.599 4.263 1.00 0.00 C ATOM 316 CZ PHE A 43 108.862 -5.752 4.993 1.00 0.00 C ATOM 0 H PHE A 43 110.236 -3.057 7.546 1.00 0.00 H new ATOM 0 HA PHE A 43 113.112 -2.154 7.436 1.00 0.00 H new ATOM 0 HB2 PHE A 43 112.886 -3.145 4.994 1.00 0.00 H new ATOM 0 HB3 PHE A 43 113.214 -4.260 6.306 1.00 0.00 H new ATOM 0 HD1 PHE A 43 111.530 -5.834 7.084 1.00 0.00 H new ATOM 0 HD2 PHE A 43 110.600 -3.000 3.996 1.00 0.00 H new ATOM 0 HE1 PHE A 43 109.461 -7.083 6.570 1.00 0.00 H new ATOM 0 HE2 PHE A 43 108.524 -4.258 3.476 1.00 0.00 H new ATOM 0 HZ PHE A 43 107.958 -6.299 4.769 1.00 0.00 H new ATOM 326 N LEU A 44 112.412 -0.603 5.365 1.00 0.00 N ATOM 327 CA LEU A 44 111.933 0.624 4.649 1.00 0.00 C ATOM 328 C LEU A 44 111.963 0.393 3.134 1.00 0.00 C ATOM 329 O LEU A 44 112.546 -0.561 2.655 1.00 0.00 O ATOM 330 CB LEU A 44 112.913 1.751 5.026 1.00 0.00 C ATOM 331 CG LEU A 44 113.174 1.780 6.540 1.00 0.00 C ATOM 332 CD1 LEU A 44 114.149 2.913 6.862 1.00 0.00 C ATOM 333 CD2 LEU A 44 111.867 2.017 7.300 1.00 0.00 C ATOM 0 H LEU A 44 113.357 -0.903 5.125 1.00 0.00 H new ATOM 0 HA LEU A 44 110.909 0.873 4.928 1.00 0.00 H new ATOM 0 HB2 LEU A 44 113.854 1.610 4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 44 112.507 2.711 4.706 1.00 0.00 H new ATOM 0 HG LEU A 44 113.596 0.822 6.844 1.00 0.00 H new ATOM 0 HD11 LEU A 44 114.337 2.937 7.935 1.00 0.00 H new ATOM 0 HD12 LEU A 44 115.087 2.747 6.333 1.00 0.00 H new ATOM 0 HD13 LEU A 44 113.719 3.864 6.548 1.00 0.00 H new ATOM 0 HD21 LEU A 44 112.067 2.035 8.371 1.00 0.00 H new ATOM 0 HD22 LEU A 44 111.437 2.971 6.995 1.00 0.00 H new ATOM 0 HD23 LEU A 44 111.165 1.214 7.076 1.00 0.00 H new ATOM 345 N ALA A 45 111.345 1.268 2.381 1.00 0.00 N ATOM 346 CA ALA A 45 111.335 1.115 0.894 1.00 0.00 C ATOM 347 C ALA A 45 111.514 2.481 0.224 1.00 0.00 C ATOM 348 O ALA A 45 111.151 3.502 0.778 1.00 0.00 O ATOM 349 CB ALA A 45 109.961 0.529 0.562 1.00 0.00 C ATOM 0 H ALA A 45 110.845 2.084 2.733 1.00 0.00 H new ATOM 0 HA ALA A 45 112.144 0.477 0.538 1.00 0.00 H new ATOM 0 HB1 ALA A 45 109.877 0.387 -0.515 1.00 0.00 H new ATOM 0 HB2 ALA A 45 109.844 -0.431 1.065 1.00 0.00 H new ATOM 0 HB3 ALA A 45 109.182 1.213 0.900 1.00 0.00 H new ATOM 355 N THR A 46 112.072 2.507 -0.961 1.00 0.00 N ATOM 356 CA THR A 46 112.278 3.808 -1.670 1.00 0.00 C ATOM 357 C THR A 46 111.527 3.810 -3.005 1.00 0.00 C ATOM 358 O THR A 46 111.568 2.847 -3.749 1.00 0.00 O ATOM 359 CB THR A 46 113.788 3.898 -1.900 1.00 0.00 C ATOM 360 OG1 THR A 46 114.460 3.799 -0.652 1.00 0.00 O ATOM 361 CG2 THR A 46 114.128 5.235 -2.559 1.00 0.00 C ATOM 0 H THR A 46 112.394 1.683 -1.468 1.00 0.00 H new ATOM 0 HA THR A 46 111.902 4.655 -1.096 1.00 0.00 H new ATOM 0 HB THR A 46 114.106 3.084 -2.552 1.00 0.00 H new ATOM 0 HG1 THR A 46 115.338 3.385 -0.785 1.00 0.00 H new ATOM 0 HG21 THR A 46 115.204 5.297 -2.722 1.00 0.00 H new ATOM 0 HG22 THR A 46 113.611 5.311 -3.516 1.00 0.00 H new ATOM 0 HG23 THR A 46 113.812 6.051 -1.910 1.00 0.00 H new ATOM 369 N CYS A 47 110.843 4.886 -3.312 1.00 0.00 N ATOM 370 CA CYS A 47 110.084 4.954 -4.599 1.00 0.00 C ATOM 371 C CYS A 47 110.941 5.602 -5.694 1.00 0.00 C ATOM 372 O CYS A 47 111.117 6.807 -5.724 1.00 0.00 O ATOM 373 CB CYS A 47 108.863 5.821 -4.291 1.00 0.00 C ATOM 374 SG CYS A 47 107.773 5.864 -5.736 1.00 0.00 S ATOM 0 H CYS A 47 110.778 5.719 -2.727 1.00 0.00 H new ATOM 0 HA CYS A 47 109.804 3.966 -4.963 1.00 0.00 H new ATOM 0 HB2 CYS A 47 108.327 5.421 -3.430 1.00 0.00 H new ATOM 0 HB3 CYS A 47 109.178 6.831 -4.029 1.00 0.00 H new ATOM 0 HG CYS A 47 107.781 7.058 -6.250 1.00 0.00 H new ATOM 380 N VAL A 48 111.468 4.810 -6.594 1.00 0.00 N ATOM 381 CA VAL A 48 112.311 5.372 -7.694 1.00 0.00 C ATOM 382 C VAL A 48 111.848 4.830 -9.053 1.00 0.00 C ATOM 383 O VAL A 48 111.519 3.667 -9.190 1.00 0.00 O ATOM 384 CB VAL A 48 113.745 4.922 -7.379 1.00 0.00 C ATOM 385 CG1 VAL A 48 113.843 3.389 -7.397 1.00 0.00 C ATOM 386 CG2 VAL A 48 114.698 5.513 -8.422 1.00 0.00 C ATOM 0 H VAL A 48 111.351 3.797 -6.615 1.00 0.00 H new ATOM 0 HA VAL A 48 112.238 6.458 -7.753 1.00 0.00 H new ATOM 0 HB VAL A 48 114.019 5.275 -6.385 1.00 0.00 H new ATOM 0 HG11 VAL A 48 114.866 3.087 -7.172 1.00 0.00 H new ATOM 0 HG12 VAL A 48 113.169 2.972 -6.649 1.00 0.00 H new ATOM 0 HG13 VAL A 48 113.564 3.018 -8.383 1.00 0.00 H new ATOM 0 HG21 VAL A 48 115.718 5.197 -8.203 1.00 0.00 H new ATOM 0 HG22 VAL A 48 114.414 5.162 -9.414 1.00 0.00 H new ATOM 0 HG23 VAL A 48 114.641 6.601 -8.392 1.00 0.00 H new ATOM 396 N ASN A 49 111.823 5.671 -10.060 1.00 0.00 N ATOM 397 CA ASN A 49 111.386 5.229 -11.426 1.00 0.00 C ATOM 398 C ASN A 49 109.967 4.651 -11.384 1.00 0.00 C ATOM 399 O ASN A 49 109.647 3.719 -12.097 1.00 0.00 O ATOM 400 CB ASN A 49 112.393 4.156 -11.862 1.00 0.00 C ATOM 401 CG ASN A 49 112.252 3.902 -13.364 1.00 0.00 C ATOM 402 OD1 ASN A 49 111.746 2.878 -13.774 1.00 0.00 O ATOM 403 ND2 ASN A 49 112.684 4.800 -14.208 1.00 0.00 N ATOM 0 H ASN A 49 112.089 6.654 -9.995 1.00 0.00 H new ATOM 0 HA ASN A 49 111.363 6.065 -12.125 1.00 0.00 H new ATOM 0 HB2 ASN A 49 113.408 4.480 -11.631 1.00 0.00 H new ATOM 0 HB3 ASN A 49 112.219 3.233 -11.309 1.00 0.00 H new ATOM 0 HD21 ASN A 49 112.596 4.641 -15.212 1.00 0.00 H new ATOM 0 HD22 ASN A 49 113.109 5.661 -13.864 1.00 0.00 H new ATOM 410 N GLY A 50 109.114 5.209 -10.564 1.00 0.00 N ATOM 411 CA GLY A 50 107.706 4.712 -10.477 1.00 0.00 C ATOM 412 C GLY A 50 107.668 3.262 -9.973 1.00 0.00 C ATOM 413 O GLY A 50 106.660 2.592 -10.095 1.00 0.00 O ATOM 0 H GLY A 50 109.332 5.992 -9.947 1.00 0.00 H new ATOM 0 HA2 GLY A 50 107.132 5.350 -9.805 1.00 0.00 H new ATOM 0 HA3 GLY A 50 107.233 4.773 -11.457 1.00 0.00 H new ATOM 417 N VAL A 51 108.744 2.775 -9.404 1.00 0.00 N ATOM 418 CA VAL A 51 108.751 1.371 -8.889 1.00 0.00 C ATOM 419 C VAL A 51 109.488 1.318 -7.547 1.00 0.00 C ATOM 420 O VAL A 51 110.655 1.649 -7.460 1.00 0.00 O ATOM 421 CB VAL A 51 109.495 0.550 -9.948 1.00 0.00 C ATOM 422 CG1 VAL A 51 109.513 -0.922 -9.531 1.00 0.00 C ATOM 423 CG2 VAL A 51 108.782 0.680 -11.297 1.00 0.00 C ATOM 0 H VAL A 51 109.616 3.288 -9.274 1.00 0.00 H new ATOM 0 HA VAL A 51 107.745 0.986 -8.722 1.00 0.00 H new ATOM 0 HB VAL A 51 110.516 0.921 -10.038 1.00 0.00 H new ATOM 0 HG11 VAL A 51 110.042 -1.507 -10.284 1.00 0.00 H new ATOM 0 HG12 VAL A 51 110.020 -1.022 -8.571 1.00 0.00 H new ATOM 0 HG13 VAL A 51 108.490 -1.287 -9.441 1.00 0.00 H new ATOM 0 HG21 VAL A 51 109.314 0.095 -12.047 1.00 0.00 H new ATOM 0 HG22 VAL A 51 107.761 0.311 -11.206 1.00 0.00 H new ATOM 0 HG23 VAL A 51 108.763 1.727 -11.599 1.00 0.00 H new ATOM 433 N CYS A 52 108.811 0.911 -6.503 1.00 0.00 N ATOM 434 CA CYS A 52 109.471 0.844 -5.160 1.00 0.00 C ATOM 435 C CYS A 52 110.317 -0.429 -5.043 1.00 0.00 C ATOM 436 O CYS A 52 109.905 -1.495 -5.459 1.00 0.00 O ATOM 437 CB CYS A 52 108.326 0.852 -4.135 1.00 0.00 C ATOM 438 SG CYS A 52 107.251 -0.593 -4.361 1.00 0.00 S ATOM 0 H CYS A 52 107.833 0.623 -6.520 1.00 0.00 H new ATOM 0 HA CYS A 52 110.150 1.680 -4.996 1.00 0.00 H new ATOM 0 HB2 CYS A 52 108.736 0.852 -3.125 1.00 0.00 H new ATOM 0 HB3 CYS A 52 107.742 1.766 -4.242 1.00 0.00 H new ATOM 0 HG CYS A 52 107.963 -1.606 -4.755 1.00 0.00 H new ATOM 444 N TRP A 53 111.495 -0.322 -4.479 1.00 0.00 N ATOM 445 CA TRP A 53 112.372 -1.525 -4.336 1.00 0.00 C ATOM 446 C TRP A 53 112.798 -1.705 -2.875 1.00 0.00 C ATOM 447 O TRP A 53 113.154 -0.755 -2.202 1.00 0.00 O ATOM 448 CB TRP A 53 113.600 -1.237 -5.203 1.00 0.00 C ATOM 449 CG TRP A 53 113.190 -1.027 -6.627 1.00 0.00 C ATOM 450 CD1 TRP A 53 112.958 0.178 -7.194 1.00 0.00 C ATOM 451 CD2 TRP A 53 112.970 -2.020 -7.670 1.00 0.00 C ATOM 452 NE1 TRP A 53 112.608 -0.012 -8.518 1.00 0.00 N ATOM 453 CE2 TRP A 53 112.602 -1.349 -8.859 1.00 0.00 C ATOM 454 CE3 TRP A 53 113.051 -3.424 -7.699 1.00 0.00 C ATOM 455 CZ2 TRP A 53 112.325 -2.043 -10.036 1.00 0.00 C ATOM 456 CZ3 TRP A 53 112.774 -4.127 -8.884 1.00 0.00 C ATOM 457 CH2 TRP A 53 112.412 -3.438 -10.049 1.00 0.00 C ATOM 0 H TRP A 53 111.887 0.545 -4.112 1.00 0.00 H new ATOM 0 HA TRP A 53 111.857 -2.437 -4.639 1.00 0.00 H new ATOM 0 HB2 TRP A 53 114.117 -0.352 -4.832 1.00 0.00 H new ATOM 0 HB3 TRP A 53 114.303 -2.068 -5.138 1.00 0.00 H new ATOM 0 HD1 TRP A 53 113.034 1.133 -6.695 1.00 0.00 H new ATOM 0 HE1 TRP A 53 112.382 0.744 -9.164 1.00 0.00 H new ATOM 0 HE3 TRP A 53 113.328 -3.965 -6.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 112.045 -1.507 -10.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 112.841 -5.205 -8.897 1.00 0.00 H new ATOM 0 HH2 TRP A 53 112.200 -3.984 -10.956 1.00 0.00 H new ATOM 468 N THR A 54 112.777 -2.920 -2.392 1.00 0.00 N ATOM 469 CA THR A 54 113.195 -3.183 -0.983 1.00 0.00 C ATOM 470 C THR A 54 114.070 -4.440 -0.927 1.00 0.00 C ATOM 471 O THR A 54 114.311 -5.079 -1.935 1.00 0.00 O ATOM 472 CB THR A 54 111.892 -3.390 -0.202 1.00 0.00 C ATOM 473 OG1 THR A 54 112.197 -3.649 1.161 1.00 0.00 O ATOM 474 CG2 THR A 54 111.111 -4.571 -0.785 1.00 0.00 C ATOM 0 H THR A 54 112.487 -3.746 -2.916 1.00 0.00 H new ATOM 0 HA THR A 54 113.782 -2.365 -0.565 1.00 0.00 H new ATOM 0 HB THR A 54 111.282 -2.490 -0.278 1.00 0.00 H new ATOM 0 HG1 THR A 54 111.366 -3.780 1.663 1.00 0.00 H new ATOM 0 HG21 THR A 54 110.187 -4.709 -0.223 1.00 0.00 H new ATOM 0 HG22 THR A 54 110.874 -4.370 -1.830 1.00 0.00 H new ATOM 0 HG23 THR A 54 111.715 -5.476 -0.718 1.00 0.00 H new ATOM 482 N VAL A 55 114.530 -4.808 0.242 1.00 0.00 N ATOM 483 CA VAL A 55 115.372 -6.034 0.361 1.00 0.00 C ATOM 484 C VAL A 55 114.445 -7.265 0.400 1.00 0.00 C ATOM 485 O VAL A 55 113.370 -7.220 0.968 1.00 0.00 O ATOM 486 CB VAL A 55 116.208 -5.813 1.661 1.00 0.00 C ATOM 487 CG1 VAL A 55 115.907 -6.852 2.756 1.00 0.00 C ATOM 488 CG2 VAL A 55 117.698 -5.889 1.315 1.00 0.00 C ATOM 0 H VAL A 55 114.359 -4.313 1.117 1.00 0.00 H new ATOM 0 HA VAL A 55 116.049 -6.211 -0.475 1.00 0.00 H new ATOM 0 HB VAL A 55 115.935 -4.834 2.054 1.00 0.00 H new ATOM 0 HG11 VAL A 55 116.520 -6.644 3.633 1.00 0.00 H new ATOM 0 HG12 VAL A 55 114.853 -6.799 3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 55 116.135 -7.850 2.383 1.00 0.00 H new ATOM 0 HG21 VAL A 55 118.289 -5.736 2.218 1.00 0.00 H new ATOM 0 HG22 VAL A 55 117.924 -6.869 0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 55 117.942 -5.117 0.586 1.00 0.00 H new ATOM 498 N TYR A 56 114.847 -8.347 -0.216 1.00 0.00 N ATOM 499 CA TYR A 56 113.983 -9.568 -0.236 1.00 0.00 C ATOM 500 C TYR A 56 114.119 -10.368 1.073 1.00 0.00 C ATOM 501 O TYR A 56 113.147 -10.879 1.596 1.00 0.00 O ATOM 502 CB TYR A 56 114.507 -10.393 -1.429 1.00 0.00 C ATOM 503 CG TYR A 56 113.898 -11.779 -1.414 1.00 0.00 C ATOM 504 CD1 TYR A 56 112.743 -12.065 -2.150 1.00 0.00 C ATOM 505 CD2 TYR A 56 114.494 -12.768 -0.630 1.00 0.00 C ATOM 506 CE1 TYR A 56 112.188 -13.352 -2.095 1.00 0.00 C ATOM 507 CE2 TYR A 56 113.948 -14.046 -0.575 1.00 0.00 C ATOM 508 CZ TYR A 56 112.792 -14.343 -1.309 1.00 0.00 C ATOM 509 OH TYR A 56 112.247 -15.610 -1.254 1.00 0.00 O ATOM 0 H TYR A 56 115.737 -8.439 -0.707 1.00 0.00 H new ATOM 0 HA TYR A 56 112.926 -9.318 -0.330 1.00 0.00 H new ATOM 0 HB2 TYR A 56 114.261 -9.890 -2.364 1.00 0.00 H new ATOM 0 HB3 TYR A 56 115.594 -10.465 -1.382 1.00 0.00 H new ATOM 0 HD1 TYR A 56 112.282 -11.300 -2.757 1.00 0.00 H new ATOM 0 HD2 TYR A 56 115.384 -12.540 -0.063 1.00 0.00 H new ATOM 0 HE1 TYR A 56 111.295 -13.579 -2.658 1.00 0.00 H new ATOM 0 HE2 TYR A 56 114.414 -14.808 0.032 1.00 0.00 H new ATOM 0 HH TYR A 56 112.790 -16.174 -0.665 1.00 0.00 H new ATOM 519 N HIS A 57 115.318 -10.519 1.569 1.00 0.00 N ATOM 520 CA HIS A 57 115.526 -11.334 2.809 1.00 0.00 C ATOM 521 C HIS A 57 114.628 -10.860 3.967 1.00 0.00 C ATOM 522 O HIS A 57 114.381 -11.596 4.904 1.00 0.00 O ATOM 523 CB HIS A 57 117.025 -11.190 3.136 1.00 0.00 C ATOM 524 CG HIS A 57 117.360 -9.841 3.727 1.00 0.00 C ATOM 525 ND1 HIS A 57 118.322 -9.000 3.155 1.00 0.00 N ATOM 526 CD2 HIS A 57 116.915 -9.189 4.856 1.00 0.00 C ATOM 527 CE1 HIS A 57 118.426 -7.905 3.935 1.00 0.00 C ATOM 528 NE2 HIS A 57 117.593 -7.992 4.962 1.00 0.00 N ATOM 0 H HIS A 57 116.165 -10.114 1.171 1.00 0.00 H new ATOM 0 HA HIS A 57 115.249 -12.377 2.658 1.00 0.00 H new ATOM 0 HB2 HIS A 57 117.318 -11.973 3.836 1.00 0.00 H new ATOM 0 HB3 HIS A 57 117.608 -11.340 2.227 1.00 0.00 H new ATOM 0 HD1 HIS A 57 118.850 -9.183 2.301 1.00 0.00 H new ATOM 0 HD2 HIS A 57 116.164 -9.553 5.541 1.00 0.00 H new ATOM 0 HE1 HIS A 57 119.093 -7.076 3.749 1.00 0.00 H new ATOM 536 N GLY A 58 114.152 -9.637 3.919 1.00 0.00 N ATOM 537 CA GLY A 58 113.290 -9.126 5.030 1.00 0.00 C ATOM 538 C GLY A 58 111.899 -8.733 4.513 1.00 0.00 C ATOM 539 O GLY A 58 110.947 -8.697 5.270 1.00 0.00 O ATOM 0 H GLY A 58 114.323 -8.975 3.162 1.00 0.00 H new ATOM 0 HA2 GLY A 58 113.192 -9.891 5.800 1.00 0.00 H new ATOM 0 HA3 GLY A 58 113.766 -8.263 5.496 1.00 0.00 H new ATOM 543 N ALA A 59 111.771 -8.427 3.245 1.00 0.00 N ATOM 544 CA ALA A 59 110.434 -8.023 2.703 1.00 0.00 C ATOM 545 C ALA A 59 109.908 -9.059 1.706 1.00 0.00 C ATOM 546 O ALA A 59 108.713 -9.202 1.521 1.00 0.00 O ATOM 547 CB ALA A 59 110.683 -6.687 2.002 1.00 0.00 C ATOM 0 H ALA A 59 112.530 -8.439 2.564 1.00 0.00 H new ATOM 0 HA ALA A 59 109.684 -7.946 3.491 1.00 0.00 H new ATOM 0 HB1 ALA A 59 109.749 -6.320 1.575 1.00 0.00 H new ATOM 0 HB2 ALA A 59 111.062 -5.963 2.723 1.00 0.00 H new ATOM 0 HB3 ALA A 59 111.416 -6.824 1.207 1.00 0.00 H new ATOM 553 N GLY A 60 110.787 -9.776 1.059 1.00 0.00 N ATOM 554 CA GLY A 60 110.348 -10.800 0.063 1.00 0.00 C ATOM 555 C GLY A 60 109.465 -11.861 0.734 1.00 0.00 C ATOM 556 O GLY A 60 108.741 -12.578 0.068 1.00 0.00 O ATOM 0 H GLY A 60 111.797 -9.697 1.177 1.00 0.00 H new ATOM 0 HA2 GLY A 60 109.797 -10.317 -0.744 1.00 0.00 H new ATOM 0 HA3 GLY A 60 111.220 -11.276 -0.386 1.00 0.00 H new ATOM 719 N THR A 72 99.697 -8.006 -4.835 1.00 0.00 N ATOM 720 CA THR A 72 100.292 -9.220 -5.480 1.00 0.00 C ATOM 721 C THR A 72 101.810 -9.074 -5.635 1.00 0.00 C ATOM 722 O THR A 72 102.327 -7.984 -5.788 1.00 0.00 O ATOM 723 CB THR A 72 99.623 -9.306 -6.852 1.00 0.00 C ATOM 724 OG1 THR A 72 99.788 -8.072 -7.537 1.00 0.00 O ATOM 725 CG2 THR A 72 98.132 -9.600 -6.678 1.00 0.00 C ATOM 0 HA THR A 72 100.128 -10.116 -4.881 1.00 0.00 H new ATOM 0 HB THR A 72 100.083 -10.107 -7.431 1.00 0.00 H new ATOM 0 HG1 THR A 72 99.766 -7.334 -6.892 1.00 0.00 H new ATOM 0 HG21 THR A 72 97.657 -9.661 -7.657 1.00 0.00 H new ATOM 0 HG22 THR A 72 98.007 -10.548 -6.154 1.00 0.00 H new ATOM 0 HG23 THR A 72 97.669 -8.801 -6.099 1.00 0.00 H new ATOM 733 N GLN A 73 102.519 -10.175 -5.608 1.00 0.00 N ATOM 734 CA GLN A 73 104.005 -10.128 -5.768 1.00 0.00 C ATOM 735 C GLN A 73 104.368 -10.192 -7.259 1.00 0.00 C ATOM 736 O GLN A 73 103.876 -11.036 -7.985 1.00 0.00 O ATOM 737 CB GLN A 73 104.513 -11.369 -5.025 1.00 0.00 C ATOM 738 CG GLN A 73 106.034 -11.497 -5.184 1.00 0.00 C ATOM 739 CD GLN A 73 106.352 -12.554 -6.245 1.00 0.00 C ATOM 740 OE1 GLN A 73 106.454 -12.245 -7.415 1.00 0.00 O ATOM 741 NE2 GLN A 73 106.514 -13.797 -5.883 1.00 0.00 N ATOM 0 H GLN A 73 102.130 -11.109 -5.481 1.00 0.00 H new ATOM 0 HA GLN A 73 104.447 -9.212 -5.375 1.00 0.00 H new ATOM 0 HB2 GLN A 73 104.255 -11.300 -3.968 1.00 0.00 H new ATOM 0 HB3 GLN A 73 104.023 -12.261 -5.415 1.00 0.00 H new ATOM 0 HG2 GLN A 73 106.462 -10.537 -5.473 1.00 0.00 H new ATOM 0 HG3 GLN A 73 106.487 -11.774 -4.232 1.00 0.00 H new ATOM 0 HE21 GLN A 73 106.429 -14.057 -4.900 1.00 0.00 H new ATOM 0 HE22 GLN A 73 106.726 -14.508 -6.583 1.00 0.00 H new ATOM 750 N MET A 74 105.218 -9.306 -7.718 1.00 0.00 N ATOM 751 CA MET A 74 105.606 -9.315 -9.162 1.00 0.00 C ATOM 752 C MET A 74 107.113 -9.547 -9.324 1.00 0.00 C ATOM 753 O MET A 74 107.540 -10.324 -10.158 1.00 0.00 O ATOM 754 CB MET A 74 105.215 -7.932 -9.687 1.00 0.00 C ATOM 755 CG MET A 74 105.390 -7.895 -11.207 1.00 0.00 C ATOM 756 SD MET A 74 104.177 -8.993 -11.983 1.00 0.00 S ATOM 757 CE MET A 74 103.345 -7.740 -12.990 1.00 0.00 C ATOM 0 H MET A 74 105.659 -8.578 -7.156 1.00 0.00 H new ATOM 0 HA MET A 74 105.111 -10.118 -9.709 1.00 0.00 H new ATOM 0 HB2 MET A 74 104.181 -7.710 -9.424 1.00 0.00 H new ATOM 0 HB3 MET A 74 105.834 -7.166 -9.220 1.00 0.00 H new ATOM 0 HG2 MET A 74 105.261 -6.877 -11.574 1.00 0.00 H new ATOM 0 HG3 MET A 74 106.400 -8.205 -11.475 1.00 0.00 H new ATOM 0 HE1 MET A 74 102.642 -8.225 -13.667 1.00 0.00 H new ATOM 0 HE2 MET A 74 102.806 -7.050 -12.340 1.00 0.00 H new ATOM 0 HE3 MET A 74 104.085 -7.189 -13.570 1.00 0.00 H new ATOM 767 N TYR A 75 107.923 -8.879 -8.538 1.00 0.00 N ATOM 768 CA TYR A 75 109.406 -9.059 -8.655 1.00 0.00 C ATOM 769 C TYR A 75 109.944 -9.806 -7.429 1.00 0.00 C ATOM 770 O TYR A 75 109.737 -9.393 -6.304 1.00 0.00 O ATOM 771 CB TYR A 75 109.989 -7.641 -8.711 1.00 0.00 C ATOM 772 CG TYR A 75 109.395 -6.862 -9.868 1.00 0.00 C ATOM 773 CD1 TYR A 75 109.291 -7.443 -11.140 1.00 0.00 C ATOM 774 CD2 TYR A 75 108.951 -5.550 -9.663 1.00 0.00 C ATOM 775 CE1 TYR A 75 108.743 -6.713 -12.201 1.00 0.00 C ATOM 776 CE2 TYR A 75 108.403 -4.818 -10.724 1.00 0.00 C ATOM 777 CZ TYR A 75 108.299 -5.400 -11.994 1.00 0.00 C ATOM 778 OH TYR A 75 107.759 -4.680 -13.040 1.00 0.00 O ATOM 0 H TYR A 75 107.623 -8.218 -7.822 1.00 0.00 H new ATOM 0 HA TYR A 75 109.677 -9.642 -9.535 1.00 0.00 H new ATOM 0 HB2 TYR A 75 109.786 -7.122 -7.774 1.00 0.00 H new ATOM 0 HB3 TYR A 75 111.072 -7.692 -8.819 1.00 0.00 H new ATOM 0 HD1 TYR A 75 109.634 -8.454 -11.301 1.00 0.00 H new ATOM 0 HD2 TYR A 75 109.031 -5.101 -8.684 1.00 0.00 H new ATOM 0 HE1 TYR A 75 108.662 -7.162 -13.180 1.00 0.00 H new ATOM 0 HE2 TYR A 75 108.061 -3.806 -10.563 1.00 0.00 H new ATOM 0 HH TYR A 75 107.501 -3.789 -12.725 1.00 0.00 H new ATOM 788 N THR A 76 110.633 -10.899 -7.643 1.00 0.00 N ATOM 789 CA THR A 76 111.187 -11.681 -6.495 1.00 0.00 C ATOM 790 C THR A 76 112.451 -12.440 -6.926 1.00 0.00 C ATOM 791 O THR A 76 112.489 -13.045 -7.982 1.00 0.00 O ATOM 792 CB THR A 76 110.062 -12.653 -6.117 1.00 0.00 C ATOM 793 OG1 THR A 76 108.943 -11.910 -5.659 1.00 0.00 O ATOM 794 CG2 THR A 76 110.525 -13.605 -5.009 1.00 0.00 C ATOM 0 H THR A 76 110.836 -11.284 -8.565 1.00 0.00 H new ATOM 0 HA THR A 76 111.481 -11.049 -5.657 1.00 0.00 H new ATOM 0 HB THR A 76 109.791 -13.241 -6.994 1.00 0.00 H new ATOM 0 HG1 THR A 76 108.595 -12.315 -4.837 1.00 0.00 H new ATOM 0 HG21 THR A 76 109.714 -14.287 -4.753 1.00 0.00 H new ATOM 0 HG22 THR A 76 111.385 -14.177 -5.357 1.00 0.00 H new ATOM 0 HG23 THR A 76 110.805 -13.028 -4.128 1.00 0.00 H new ATOM 802 N ASN A 77 113.483 -12.410 -6.115 1.00 0.00 N ATOM 803 CA ASN A 77 114.745 -13.130 -6.477 1.00 0.00 C ATOM 804 C ASN A 77 115.685 -13.224 -5.268 1.00 0.00 C ATOM 805 O ASN A 77 116.226 -12.229 -4.822 1.00 0.00 O ATOM 806 CB ASN A 77 115.374 -12.269 -7.572 1.00 0.00 C ATOM 807 CG ASN A 77 116.648 -12.942 -8.089 1.00 0.00 C ATOM 808 OD1 ASN A 77 116.816 -14.139 -7.957 1.00 0.00 O ATOM 809 ND2 ASN A 77 117.561 -12.218 -8.678 1.00 0.00 N ATOM 0 H ASN A 77 113.505 -11.919 -5.221 1.00 0.00 H new ATOM 0 HA ASN A 77 114.556 -14.153 -6.803 1.00 0.00 H new ATOM 0 HB2 ASN A 77 114.667 -12.130 -8.390 1.00 0.00 H new ATOM 0 HB3 ASN A 77 115.607 -11.279 -7.181 1.00 0.00 H new ATOM 0 HD21 ASN A 77 118.413 -12.657 -9.026 1.00 0.00 H new ATOM 0 HD22 ASN A 77 117.422 -11.214 -8.790 1.00 0.00 H new ATOM 816 N VAL A 78 115.898 -14.411 -4.743 1.00 0.00 N ATOM 817 CA VAL A 78 116.820 -14.554 -3.573 1.00 0.00 C ATOM 818 C VAL A 78 118.269 -14.357 -4.041 1.00 0.00 C ATOM 819 O VAL A 78 119.114 -13.908 -3.289 1.00 0.00 O ATOM 820 CB VAL A 78 116.587 -15.977 -3.014 1.00 0.00 C ATOM 821 CG1 VAL A 78 117.620 -16.319 -1.920 1.00 0.00 C ATOM 822 CG2 VAL A 78 115.192 -16.058 -2.390 1.00 0.00 C ATOM 0 H VAL A 78 115.476 -15.279 -5.073 1.00 0.00 H new ATOM 0 HA VAL A 78 116.631 -13.811 -2.799 1.00 0.00 H new ATOM 0 HB VAL A 78 116.687 -16.682 -3.839 1.00 0.00 H new ATOM 0 HG11 VAL A 78 117.433 -17.325 -1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 78 118.625 -16.269 -2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 78 117.533 -15.604 -1.102 1.00 0.00 H new ATOM 0 HG21 VAL A 78 115.027 -17.061 -1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 78 115.113 -15.332 -1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 78 114.441 -15.838 -3.149 1.00 0.00 H new ATOM 832 N ASP A 79 118.558 -14.687 -5.276 1.00 0.00 N ATOM 833 CA ASP A 79 119.953 -14.519 -5.795 1.00 0.00 C ATOM 834 C ASP A 79 120.370 -13.047 -5.711 1.00 0.00 C ATOM 835 O ASP A 79 121.474 -12.726 -5.313 1.00 0.00 O ATOM 836 CB ASP A 79 119.901 -14.979 -7.251 1.00 0.00 C ATOM 837 CG ASP A 79 121.300 -14.900 -7.867 1.00 0.00 C ATOM 838 OD1 ASP A 79 121.775 -13.795 -8.070 1.00 0.00 O ATOM 839 OD2 ASP A 79 121.872 -15.947 -8.124 1.00 0.00 O ATOM 0 H ASP A 79 117.890 -15.065 -5.947 1.00 0.00 H new ATOM 0 HA ASP A 79 120.679 -15.092 -5.218 1.00 0.00 H new ATOM 0 HB2 ASP A 79 119.526 -16.001 -7.306 1.00 0.00 H new ATOM 0 HB3 ASP A 79 119.209 -14.354 -7.815 1.00 0.00 H new ATOM 844 N GLN A 80 119.487 -12.152 -6.075 1.00 0.00 N ATOM 845 CA GLN A 80 119.814 -10.696 -6.010 1.00 0.00 C ATOM 846 C GLN A 80 119.215 -10.062 -4.745 1.00 0.00 C ATOM 847 O GLN A 80 119.473 -8.913 -4.441 1.00 0.00 O ATOM 848 CB GLN A 80 119.180 -10.091 -7.262 1.00 0.00 C ATOM 849 CG GLN A 80 119.846 -8.748 -7.574 1.00 0.00 C ATOM 850 CD GLN A 80 119.381 -8.255 -8.946 1.00 0.00 C ATOM 851 OE1 GLN A 80 119.033 -9.044 -9.803 1.00 0.00 O ATOM 852 NE2 GLN A 80 119.360 -6.974 -9.192 1.00 0.00 N ATOM 0 H GLN A 80 118.550 -12.368 -6.416 1.00 0.00 H new ATOM 0 HA GLN A 80 120.889 -10.521 -5.969 1.00 0.00 H new ATOM 0 HB2 GLN A 80 119.296 -10.771 -8.106 1.00 0.00 H new ATOM 0 HB3 GLN A 80 118.110 -9.951 -7.109 1.00 0.00 H new ATOM 0 HG2 GLN A 80 119.591 -8.017 -6.807 1.00 0.00 H new ATOM 0 HG3 GLN A 80 120.931 -8.856 -7.563 1.00 0.00 H new ATOM 0 HE21 GLN A 80 119.652 -6.312 -8.473 1.00 0.00 H new ATOM 0 HE22 GLN A 80 119.052 -6.635 -10.103 1.00 0.00 H new ATOM 861 N ASP A 81 118.414 -10.800 -4.000 1.00 0.00 N ATOM 862 CA ASP A 81 117.795 -10.245 -2.753 1.00 0.00 C ATOM 863 C ASP A 81 116.999 -8.974 -3.065 1.00 0.00 C ATOM 864 O ASP A 81 116.951 -8.058 -2.268 1.00 0.00 O ATOM 865 CB ASP A 81 118.966 -9.914 -1.817 1.00 0.00 C ATOM 866 CG ASP A 81 118.458 -9.750 -0.377 1.00 0.00 C ATOM 867 OD1 ASP A 81 117.261 -9.644 -0.165 1.00 0.00 O ATOM 868 OD2 ASP A 81 119.379 -9.713 0.650 1.00 0.00 O ATOM 0 H ASP A 81 118.164 -11.767 -4.207 1.00 0.00 H new ATOM 0 HA ASP A 81 117.103 -10.957 -2.304 1.00 0.00 H new ATOM 0 HB2 ASP A 81 119.712 -10.708 -1.860 1.00 0.00 H new ATOM 0 HB3 ASP A 81 119.456 -8.997 -2.145 1.00 0.00 H new ATOM 874 N LEU A 82 116.387 -8.902 -4.220 1.00 0.00 N ATOM 875 CA LEU A 82 115.620 -7.670 -4.577 1.00 0.00 C ATOM 876 C LEU A 82 114.137 -7.976 -4.828 1.00 0.00 C ATOM 877 O LEU A 82 113.777 -9.015 -5.351 1.00 0.00 O ATOM 878 CB LEU A 82 116.294 -7.158 -5.851 1.00 0.00 C ATOM 879 CG LEU A 82 115.641 -5.843 -6.291 1.00 0.00 C ATOM 880 CD1 LEU A 82 116.716 -4.895 -6.833 1.00 0.00 C ATOM 881 CD2 LEU A 82 114.600 -6.124 -7.387 1.00 0.00 C ATOM 0 H LEU A 82 116.385 -9.637 -4.927 1.00 0.00 H new ATOM 0 HA LEU A 82 115.633 -6.937 -3.771 1.00 0.00 H new ATOM 0 HB2 LEU A 82 117.359 -7.005 -5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 82 116.207 -7.901 -6.644 1.00 0.00 H new ATOM 0 HG LEU A 82 115.147 -5.380 -5.437 1.00 0.00 H new ATOM 0 HD11 LEU A 82 116.252 -3.960 -7.146 1.00 0.00 H new ATOM 0 HD12 LEU A 82 117.450 -4.693 -6.053 1.00 0.00 H new ATOM 0 HD13 LEU A 82 117.212 -5.357 -7.686 1.00 0.00 H new ATOM 0 HD21 LEU A 82 114.137 -5.187 -7.698 1.00 0.00 H new ATOM 0 HD22 LEU A 82 115.089 -6.589 -8.243 1.00 0.00 H new ATOM 0 HD23 LEU A 82 113.834 -6.795 -6.998 1.00 0.00 H new ATOM 893 N VAL A 83 113.284 -7.053 -4.461 1.00 0.00 N ATOM 894 CA VAL A 83 111.811 -7.232 -4.670 1.00 0.00 C ATOM 895 C VAL A 83 111.212 -5.866 -5.023 1.00 0.00 C ATOM 896 O VAL A 83 111.804 -4.842 -4.737 1.00 0.00 O ATOM 897 CB VAL A 83 111.227 -7.738 -3.334 1.00 0.00 C ATOM 898 CG1 VAL A 83 109.855 -8.359 -3.583 1.00 0.00 C ATOM 899 CG2 VAL A 83 112.124 -8.807 -2.708 1.00 0.00 C ATOM 0 H VAL A 83 113.547 -6.172 -4.020 1.00 0.00 H new ATOM 0 HA VAL A 83 111.590 -7.938 -5.471 1.00 0.00 H new ATOM 0 HB VAL A 83 111.155 -6.887 -2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 83 109.441 -8.717 -2.640 1.00 0.00 H new ATOM 0 HG12 VAL A 83 109.189 -7.610 -4.011 1.00 0.00 H new ATOM 0 HG13 VAL A 83 109.954 -9.194 -4.276 1.00 0.00 H new ATOM 0 HG21 VAL A 83 111.687 -9.144 -1.768 1.00 0.00 H new ATOM 0 HG22 VAL A 83 112.213 -9.652 -3.390 1.00 0.00 H new ATOM 0 HG23 VAL A 83 113.112 -8.388 -2.519 1.00 0.00 H new ATOM 909 N GLY A 84 110.055 -5.831 -5.641 1.00 0.00 N ATOM 910 CA GLY A 84 109.453 -4.510 -6.001 1.00 0.00 C ATOM 911 C GLY A 84 108.003 -4.685 -6.458 1.00 0.00 C ATOM 912 O GLY A 84 107.564 -5.775 -6.772 1.00 0.00 O ATOM 0 H GLY A 84 109.508 -6.649 -5.908 1.00 0.00 H new ATOM 0 HA2 GLY A 84 109.491 -3.841 -5.141 1.00 0.00 H new ATOM 0 HA3 GLY A 84 110.036 -4.043 -6.795 1.00 0.00 H new ATOM 916 N TRP A 85 107.264 -3.606 -6.500 1.00 0.00 N ATOM 917 CA TRP A 85 105.837 -3.675 -6.941 1.00 0.00 C ATOM 918 C TRP A 85 105.466 -2.382 -7.674 1.00 0.00 C ATOM 919 O TRP A 85 106.119 -1.366 -7.520 1.00 0.00 O ATOM 920 CB TRP A 85 105.010 -3.810 -5.655 1.00 0.00 C ATOM 921 CG TRP A 85 105.448 -5.019 -4.889 1.00 0.00 C ATOM 922 CD1 TRP A 85 104.898 -6.251 -4.994 1.00 0.00 C ATOM 923 CD2 TRP A 85 106.513 -5.128 -3.905 1.00 0.00 C ATOM 924 NE1 TRP A 85 105.562 -7.110 -4.135 1.00 0.00 N ATOM 925 CE2 TRP A 85 106.566 -6.463 -3.442 1.00 0.00 C ATOM 926 CE3 TRP A 85 107.430 -4.205 -3.374 1.00 0.00 C ATOM 927 CZ2 TRP A 85 107.498 -6.868 -2.487 1.00 0.00 C ATOM 928 CZ3 TRP A 85 108.369 -4.607 -2.414 1.00 0.00 C ATOM 929 CH2 TRP A 85 108.405 -5.937 -1.970 1.00 0.00 C ATOM 0 H TRP A 85 107.590 -2.673 -6.246 1.00 0.00 H new ATOM 0 HA TRP A 85 105.657 -4.508 -7.620 1.00 0.00 H new ATOM 0 HB2 TRP A 85 105.129 -2.917 -5.041 1.00 0.00 H new ATOM 0 HB3 TRP A 85 103.951 -3.889 -5.901 1.00 0.00 H new ATOM 0 HD1 TRP A 85 104.076 -6.520 -5.641 1.00 0.00 H new ATOM 0 HE1 TRP A 85 105.337 -8.099 -4.027 1.00 0.00 H new ATOM 0 HE3 TRP A 85 107.411 -3.178 -3.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 107.519 -7.893 -2.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 109.069 -3.888 -2.014 1.00 0.00 H new ATOM 0 HH2 TRP A 85 109.131 -6.242 -1.231 1.00 0.00 H new ATOM 940 N GLN A 86 104.422 -2.413 -8.464 1.00 0.00 N ATOM 941 CA GLN A 86 104.005 -1.181 -9.204 1.00 0.00 C ATOM 942 C GLN A 86 103.621 -0.079 -8.215 1.00 0.00 C ATOM 943 O GLN A 86 102.962 -0.326 -7.222 1.00 0.00 O ATOM 944 CB GLN A 86 102.792 -1.601 -10.038 1.00 0.00 C ATOM 945 CG GLN A 86 103.244 -2.534 -11.163 1.00 0.00 C ATOM 946 CD GLN A 86 102.027 -2.998 -11.965 1.00 0.00 C ATOM 947 OE1 GLN A 86 101.125 -2.225 -12.223 1.00 0.00 O ATOM 948 NE2 GLN A 86 101.962 -4.237 -12.369 1.00 0.00 N ATOM 0 H GLN A 86 103.841 -3.235 -8.629 1.00 0.00 H new ATOM 0 HA GLN A 86 104.806 -0.786 -9.829 1.00 0.00 H new ATOM 0 HB2 GLN A 86 102.060 -2.104 -9.406 1.00 0.00 H new ATOM 0 HB3 GLN A 86 102.302 -0.721 -10.456 1.00 0.00 H new ATOM 0 HG2 GLN A 86 103.948 -2.018 -11.816 1.00 0.00 H new ATOM 0 HG3 GLN A 86 103.768 -3.395 -10.747 1.00 0.00 H new ATOM 0 HE21 GLN A 86 102.720 -4.885 -12.152 1.00 0.00 H new ATOM 0 HE22 GLN A 86 101.154 -4.558 -12.902 1.00 0.00 H new ATOM 957 N ALA A 87 104.029 1.137 -8.480 1.00 0.00 N ATOM 958 CA ALA A 87 103.694 2.263 -7.558 1.00 0.00 C ATOM 959 C ALA A 87 102.283 2.797 -7.859 1.00 0.00 C ATOM 960 O ALA A 87 101.847 2.761 -8.993 1.00 0.00 O ATOM 961 CB ALA A 87 104.745 3.336 -7.843 1.00 0.00 C ATOM 0 H ALA A 87 104.581 1.398 -9.297 1.00 0.00 H new ATOM 0 HA ALA A 87 103.700 1.954 -6.513 1.00 0.00 H new ATOM 0 HB1 ALA A 87 104.566 4.200 -7.202 1.00 0.00 H new ATOM 0 HB2 ALA A 87 105.738 2.935 -7.642 1.00 0.00 H new ATOM 0 HB3 ALA A 87 104.681 3.640 -8.888 1.00 0.00 H new ATOM 967 N PRO A 88 101.608 3.279 -6.836 1.00 0.00 N ATOM 968 CA PRO A 88 100.239 3.819 -7.029 1.00 0.00 C ATOM 969 C PRO A 88 100.294 5.161 -7.775 1.00 0.00 C ATOM 970 O PRO A 88 101.325 5.804 -7.799 1.00 0.00 O ATOM 971 CB PRO A 88 99.720 4.008 -5.606 1.00 0.00 C ATOM 972 CG PRO A 88 100.944 4.165 -4.764 1.00 0.00 C ATOM 973 CD PRO A 88 102.039 3.371 -5.430 1.00 0.00 C ATOM 0 HA PRO A 88 99.601 3.165 -7.624 1.00 0.00 H new ATOM 0 HB2 PRO A 88 99.077 4.885 -5.534 1.00 0.00 H new ATOM 0 HB3 PRO A 88 99.128 3.151 -5.285 1.00 0.00 H new ATOM 0 HG2 PRO A 88 101.224 5.215 -4.682 1.00 0.00 H new ATOM 0 HG3 PRO A 88 100.765 3.803 -3.752 1.00 0.00 H new ATOM 0 HD2 PRO A 88 103.004 3.869 -5.340 1.00 0.00 H new ATOM 0 HD3 PRO A 88 102.147 2.384 -4.980 1.00 0.00 H new ATOM 981 N PRO A 89 99.184 5.550 -8.366 1.00 0.00 N ATOM 982 CA PRO A 89 99.142 6.832 -9.111 1.00 0.00 C ATOM 983 C PRO A 89 99.141 8.016 -8.139 1.00 0.00 C ATOM 984 O PRO A 89 98.327 8.087 -7.237 1.00 0.00 O ATOM 985 CB PRO A 89 97.829 6.760 -9.885 1.00 0.00 C ATOM 986 CG PRO A 89 96.970 5.816 -9.106 1.00 0.00 C ATOM 987 CD PRO A 89 97.885 4.855 -8.400 1.00 0.00 C ATOM 0 HA PRO A 89 100.004 6.975 -9.763 1.00 0.00 H new ATOM 0 HB2 PRO A 89 97.364 7.742 -9.965 1.00 0.00 H new ATOM 0 HB3 PRO A 89 97.989 6.400 -10.901 1.00 0.00 H new ATOM 0 HG2 PRO A 89 96.356 6.359 -8.388 1.00 0.00 H new ATOM 0 HG3 PRO A 89 96.289 5.281 -9.768 1.00 0.00 H new ATOM 0 HD2 PRO A 89 97.527 4.630 -7.395 1.00 0.00 H new ATOM 0 HD3 PRO A 89 97.955 3.907 -8.933 1.00 0.00 H new ATOM 995 N GLY A 90 100.050 8.940 -8.318 1.00 0.00 N ATOM 996 CA GLY A 90 100.114 10.122 -7.410 1.00 0.00 C ATOM 997 C GLY A 90 101.350 10.013 -6.516 1.00 0.00 C ATOM 998 O GLY A 90 101.361 10.492 -5.397 1.00 0.00 O ATOM 0 H GLY A 90 100.753 8.926 -9.057 1.00 0.00 H new ATOM 0 HA2 GLY A 90 100.155 11.041 -7.995 1.00 0.00 H new ATOM 0 HA3 GLY A 90 99.213 10.173 -6.798 1.00 0.00 H new ATOM 1002 N ALA A 91 102.392 9.388 -7.003 1.00 0.00 N ATOM 1003 CA ALA A 91 103.635 9.241 -6.189 1.00 0.00 C ATOM 1004 C ALA A 91 104.800 9.962 -6.873 1.00 0.00 C ATOM 1005 O ALA A 91 104.767 10.222 -8.062 1.00 0.00 O ATOM 1006 CB ALA A 91 103.896 7.737 -6.130 1.00 0.00 C ATOM 0 H ALA A 91 102.435 8.972 -7.933 1.00 0.00 H new ATOM 0 HA ALA A 91 103.532 9.674 -5.194 1.00 0.00 H new ATOM 0 HB1 ALA A 91 104.797 7.547 -5.547 1.00 0.00 H new ATOM 0 HB2 ALA A 91 103.048 7.239 -5.661 1.00 0.00 H new ATOM 0 HB3 ALA A 91 104.030 7.351 -7.141 1.00 0.00 H new ATOM 1012 N ARG A 92 105.828 10.285 -6.130 1.00 0.00 N ATOM 1013 CA ARG A 92 106.999 10.990 -6.730 1.00 0.00 C ATOM 1014 C ARG A 92 108.095 9.986 -7.097 1.00 0.00 C ATOM 1015 O ARG A 92 108.091 8.857 -6.644 1.00 0.00 O ATOM 1016 CB ARG A 92 107.494 11.942 -5.641 1.00 0.00 C ATOM 1017 CG ARG A 92 106.517 13.110 -5.497 1.00 0.00 C ATOM 1018 CD ARG A 92 107.221 14.279 -4.806 1.00 0.00 C ATOM 1019 NE ARG A 92 108.128 14.850 -5.849 1.00 0.00 N ATOM 1020 CZ ARG A 92 109.250 15.459 -5.523 1.00 0.00 C ATOM 1021 NH1 ARG A 92 109.527 15.768 -4.278 1.00 0.00 N ATOM 1022 NH2 ARG A 92 110.104 15.766 -6.461 1.00 0.00 N ATOM 0 H ARG A 92 105.906 10.090 -5.132 1.00 0.00 H new ATOM 0 HA ARG A 92 106.732 11.519 -7.645 1.00 0.00 H new ATOM 0 HB2 ARG A 92 107.584 11.411 -4.693 1.00 0.00 H new ATOM 0 HB3 ARG A 92 108.487 12.314 -5.893 1.00 0.00 H new ATOM 0 HG2 ARG A 92 106.154 13.418 -6.478 1.00 0.00 H new ATOM 0 HG3 ARG A 92 105.647 12.801 -4.918 1.00 0.00 H new ATOM 0 HD2 ARG A 92 106.504 15.022 -4.456 1.00 0.00 H new ATOM 0 HD3 ARG A 92 107.783 13.943 -3.934 1.00 0.00 H new ATOM 0 HE ARG A 92 107.873 14.766 -6.833 1.00 0.00 H new ATOM 0 HH11 ARG A 92 108.866 15.537 -3.536 1.00 0.00 H new ATOM 0 HH12 ARG A 92 110.403 16.239 -4.052 1.00 0.00 H new ATOM 0 HH21 ARG A 92 109.899 15.534 -7.433 1.00 0.00 H new ATOM 0 HH22 ARG A 92 110.976 16.238 -6.222 1.00 0.00 H new ATOM 1036 N SER A 93 109.031 10.395 -7.914 1.00 0.00 N ATOM 1037 CA SER A 93 110.137 9.477 -8.318 1.00 0.00 C ATOM 1038 C SER A 93 111.487 10.179 -8.144 1.00 0.00 C ATOM 1039 O SER A 93 111.603 11.373 -8.349 1.00 0.00 O ATOM 1040 CB SER A 93 109.878 9.169 -9.792 1.00 0.00 C ATOM 1041 OG SER A 93 109.908 10.380 -10.536 1.00 0.00 O ATOM 0 H SER A 93 109.077 11.329 -8.320 1.00 0.00 H new ATOM 0 HA SER A 93 110.167 8.570 -7.714 1.00 0.00 H new ATOM 0 HB2 SER A 93 110.632 8.478 -10.169 1.00 0.00 H new ATOM 0 HB3 SER A 93 108.911 8.680 -9.909 1.00 0.00 H new ATOM 0 HG SER A 93 109.744 10.187 -11.483 1.00 0.00 H new ATOM 1047 N LEU A 94 112.504 9.446 -7.767 1.00 0.00 N ATOM 1048 CA LEU A 94 113.848 10.068 -7.576 1.00 0.00 C ATOM 1049 C LEU A 94 114.774 9.700 -8.739 1.00 0.00 C ATOM 1050 O LEU A 94 114.774 8.578 -9.211 1.00 0.00 O ATOM 1051 CB LEU A 94 114.374 9.484 -6.265 1.00 0.00 C ATOM 1052 CG LEU A 94 115.186 10.547 -5.522 1.00 0.00 C ATOM 1053 CD1 LEU A 94 114.264 11.334 -4.588 1.00 0.00 C ATOM 1054 CD2 LEU A 94 116.283 9.867 -4.700 1.00 0.00 C ATOM 0 H LEU A 94 112.461 8.444 -7.583 1.00 0.00 H new ATOM 0 HA LEU A 94 113.797 11.156 -7.545 1.00 0.00 H new ATOM 0 HB2 LEU A 94 113.543 9.147 -5.645 1.00 0.00 H new ATOM 0 HB3 LEU A 94 114.995 8.612 -6.467 1.00 0.00 H new ATOM 0 HG LEU A 94 115.639 11.227 -6.243 1.00 0.00 H new ATOM 0 HD11 LEU A 94 114.843 12.091 -4.059 1.00 0.00 H new ATOM 0 HD12 LEU A 94 113.481 11.818 -5.172 1.00 0.00 H new ATOM 0 HD13 LEU A 94 113.810 10.654 -3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 94 116.862 10.623 -4.170 1.00 0.00 H new ATOM 0 HD22 LEU A 94 115.829 9.187 -3.979 1.00 0.00 H new ATOM 0 HD23 LEU A 94 116.940 9.306 -5.364 1.00 0.00 H new ATOM 1066 N THR A 95 115.562 10.638 -9.195 1.00 0.00 N ATOM 1067 CA THR A 95 116.497 10.355 -10.326 1.00 0.00 C ATOM 1068 C THR A 95 117.724 9.584 -9.811 1.00 0.00 C ATOM 1069 O THR A 95 118.180 9.833 -8.712 1.00 0.00 O ATOM 1070 CB THR A 95 116.909 11.735 -10.852 1.00 0.00 C ATOM 1071 OG1 THR A 95 115.745 12.470 -11.202 1.00 0.00 O ATOM 1072 CG2 THR A 95 117.801 11.575 -12.082 1.00 0.00 C ATOM 0 H THR A 95 115.599 11.591 -8.832 1.00 0.00 H new ATOM 0 HA THR A 95 116.039 9.744 -11.104 1.00 0.00 H new ATOM 0 HB THR A 95 117.460 12.268 -10.077 1.00 0.00 H new ATOM 0 HG1 THR A 95 116.005 13.354 -11.537 1.00 0.00 H new ATOM 0 HG21 THR A 95 118.091 12.559 -12.452 1.00 0.00 H new ATOM 0 HG22 THR A 95 118.694 11.011 -11.813 1.00 0.00 H new ATOM 0 HG23 THR A 95 117.255 11.041 -12.860 1.00 0.00 H new ATOM 1080 N PRO A 96 118.227 8.667 -10.612 1.00 0.00 N ATOM 1081 CA PRO A 96 119.412 7.876 -10.190 1.00 0.00 C ATOM 1082 C PRO A 96 120.658 8.764 -10.153 1.00 0.00 C ATOM 1083 O PRO A 96 120.685 9.833 -10.735 1.00 0.00 O ATOM 1084 CB PRO A 96 119.532 6.799 -11.267 1.00 0.00 C ATOM 1085 CG PRO A 96 118.860 7.380 -12.468 1.00 0.00 C ATOM 1086 CD PRO A 96 117.766 8.280 -11.957 1.00 0.00 C ATOM 0 HA PRO A 96 119.313 7.454 -9.190 1.00 0.00 H new ATOM 0 HB2 PRO A 96 120.576 6.562 -11.474 1.00 0.00 H new ATOM 0 HB3 PRO A 96 119.051 5.872 -10.954 1.00 0.00 H new ATOM 0 HG2 PRO A 96 119.570 7.940 -13.076 1.00 0.00 H new ATOM 0 HG3 PRO A 96 118.450 6.593 -13.101 1.00 0.00 H new ATOM 0 HD2 PRO A 96 117.632 9.150 -12.599 1.00 0.00 H new ATOM 0 HD3 PRO A 96 116.808 7.762 -11.918 1.00 0.00 H new ATOM 1094 N CYS A 97 121.687 8.330 -9.470 1.00 0.00 N ATOM 1095 CA CYS A 97 122.934 9.150 -9.386 1.00 0.00 C ATOM 1096 C CYS A 97 123.685 9.120 -10.718 1.00 0.00 C ATOM 1097 O CYS A 97 123.966 8.068 -11.262 1.00 0.00 O ATOM 1098 CB CYS A 97 123.774 8.499 -8.285 1.00 0.00 C ATOM 1099 SG CYS A 97 125.257 9.496 -7.985 1.00 0.00 S ATOM 0 H CYS A 97 121.718 7.443 -8.967 1.00 0.00 H new ATOM 0 HA CYS A 97 122.717 10.196 -9.168 1.00 0.00 H new ATOM 0 HB2 CYS A 97 123.189 8.414 -7.369 1.00 0.00 H new ATOM 0 HB3 CYS A 97 124.056 7.488 -8.578 1.00 0.00 H new ATOM 0 HG CYS A 97 125.083 10.223 -6.921 1.00 0.00 H new ATOM 1104 N THR A 98 124.017 10.272 -11.239 1.00 0.00 N ATOM 1105 CA THR A 98 124.758 10.335 -12.532 1.00 0.00 C ATOM 1106 C THR A 98 125.887 11.362 -12.425 1.00 0.00 C ATOM 1107 O THR A 98 125.964 12.297 -13.201 1.00 0.00 O ATOM 1108 CB THR A 98 123.717 10.777 -13.564 1.00 0.00 C ATOM 1109 OG1 THR A 98 122.565 9.952 -13.455 1.00 0.00 O ATOM 1110 CG2 THR A 98 124.305 10.653 -14.970 1.00 0.00 C ATOM 0 H THR A 98 123.805 11.178 -10.821 1.00 0.00 H new ATOM 0 HA THR A 98 125.213 9.383 -12.805 1.00 0.00 H new ATOM 0 HB THR A 98 123.440 11.815 -13.380 1.00 0.00 H new ATOM 0 HG1 THR A 98 121.897 10.234 -14.114 1.00 0.00 H new ATOM 0 HG21 THR A 98 123.563 10.968 -15.704 1.00 0.00 H new ATOM 0 HG22 THR A 98 125.188 11.286 -15.052 1.00 0.00 H new ATOM 0 HG23 THR A 98 124.584 9.616 -15.158 1.00 0.00 H new ATOM 1118 N CYS A 99 126.753 11.202 -11.456 1.00 0.00 N ATOM 1119 CA CYS A 99 127.874 12.179 -11.278 1.00 0.00 C ATOM 1120 C CYS A 99 129.165 11.499 -10.784 1.00 0.00 C ATOM 1121 O CYS A 99 130.147 12.165 -10.517 1.00 0.00 O ATOM 1122 CB CYS A 99 127.362 13.179 -10.230 1.00 0.00 C ATOM 1123 SG CYS A 99 126.945 12.319 -8.685 1.00 0.00 S ATOM 0 H CYS A 99 126.733 10.438 -10.780 1.00 0.00 H new ATOM 0 HA CYS A 99 128.135 12.653 -12.224 1.00 0.00 H new ATOM 0 HB2 CYS A 99 128.122 13.936 -10.038 1.00 0.00 H new ATOM 0 HB3 CYS A 99 126.484 13.699 -10.613 1.00 0.00 H new ATOM 0 HG CYS A 99 126.192 11.293 -8.949 1.00 0.00 H new ATOM 1128 N GLY A 100 129.185 10.187 -10.667 1.00 0.00 N ATOM 1129 CA GLY A 100 130.424 9.480 -10.197 1.00 0.00 C ATOM 1130 C GLY A 100 130.939 10.107 -8.894 1.00 0.00 C ATOM 1131 O GLY A 100 131.721 11.039 -8.915 1.00 0.00 O ATOM 0 H GLY A 100 128.396 9.576 -10.877 1.00 0.00 H new ATOM 0 HA2 GLY A 100 130.209 8.423 -10.039 1.00 0.00 H new ATOM 0 HA3 GLY A 100 131.196 9.537 -10.965 1.00 0.00 H new ATOM 1135 N SER A 101 130.506 9.604 -7.765 1.00 0.00 N ATOM 1136 CA SER A 101 130.970 10.171 -6.462 1.00 0.00 C ATOM 1137 C SER A 101 131.238 9.047 -5.457 1.00 0.00 C ATOM 1138 O SER A 101 130.590 8.019 -5.476 1.00 0.00 O ATOM 1139 CB SER A 101 129.818 11.053 -5.985 1.00 0.00 C ATOM 1140 OG SER A 101 128.678 10.243 -5.736 1.00 0.00 O ATOM 0 H SER A 101 129.851 8.825 -7.689 1.00 0.00 H new ATOM 0 HA SER A 101 131.900 10.731 -6.563 1.00 0.00 H new ATOM 0 HB2 SER A 101 130.104 11.586 -5.078 1.00 0.00 H new ATOM 0 HB3 SER A 101 129.586 11.806 -6.738 1.00 0.00 H new ATOM 0 HG SER A 101 127.898 10.628 -6.187 1.00 0.00 H new ATOM 1146 N SER A 102 132.190 9.243 -4.579 1.00 0.00 N ATOM 1147 CA SER A 102 132.509 8.194 -3.565 1.00 0.00 C ATOM 1148 C SER A 102 131.762 8.478 -2.258 1.00 0.00 C ATOM 1149 O SER A 102 131.349 7.569 -1.563 1.00 0.00 O ATOM 1150 CB SER A 102 134.019 8.290 -3.351 1.00 0.00 C ATOM 1151 OG SER A 102 134.685 8.019 -4.577 1.00 0.00 O ATOM 0 H SER A 102 132.761 10.086 -4.522 1.00 0.00 H new ATOM 0 HA SER A 102 132.209 7.199 -3.894 1.00 0.00 H new ATOM 0 HB2 SER A 102 134.285 9.284 -2.992 1.00 0.00 H new ATOM 0 HB3 SER A 102 134.336 7.580 -2.587 1.00 0.00 H new ATOM 0 HG SER A 102 135.654 8.081 -4.444 1.00 0.00 H new ATOM 1157 N ASP A 103 131.588 9.731 -1.924 1.00 0.00 N ATOM 1158 CA ASP A 103 130.865 10.080 -0.662 1.00 0.00 C ATOM 1159 C ASP A 103 129.398 9.658 -0.768 1.00 0.00 C ATOM 1160 O ASP A 103 128.726 9.969 -1.734 1.00 0.00 O ATOM 1161 CB ASP A 103 130.979 11.601 -0.535 1.00 0.00 C ATOM 1162 CG ASP A 103 132.396 11.972 -0.090 1.00 0.00 C ATOM 1163 OD1 ASP A 103 132.907 11.313 0.801 1.00 0.00 O ATOM 1164 OD2 ASP A 103 132.946 12.907 -0.648 1.00 0.00 O ATOM 0 H ASP A 103 131.915 10.528 -2.470 1.00 0.00 H new ATOM 0 HA ASP A 103 131.285 9.573 0.207 1.00 0.00 H new ATOM 0 HB2 ASP A 103 130.751 12.074 -1.490 1.00 0.00 H new ATOM 0 HB3 ASP A 103 130.251 11.972 0.187 1.00 0.00 H new ATOM 1169 N LEU A 104 128.902 8.949 0.213 1.00 0.00 N ATOM 1170 CA LEU A 104 127.478 8.498 0.172 1.00 0.00 C ATOM 1171 C LEU A 104 126.811 8.700 1.535 1.00 0.00 C ATOM 1172 O LEU A 104 127.470 8.750 2.556 1.00 0.00 O ATOM 1173 CB LEU A 104 127.545 7.010 -0.174 1.00 0.00 C ATOM 1174 CG LEU A 104 128.075 6.836 -1.599 1.00 0.00 C ATOM 1175 CD1 LEU A 104 128.331 5.353 -1.872 1.00 0.00 C ATOM 1176 CD2 LEU A 104 127.041 7.366 -2.595 1.00 0.00 C ATOM 0 H LEU A 104 129.422 8.662 1.042 1.00 0.00 H new ATOM 0 HA LEU A 104 126.891 9.063 -0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 104 128.194 6.491 0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 104 126.556 6.561 -0.086 1.00 0.00 H new ATOM 0 HG LEU A 104 129.006 7.391 -1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 104 128.708 5.230 -2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 104 129.067 4.974 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 104 127.400 4.797 -1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 104 127.417 7.243 -3.610 1.00 0.00 H new ATOM 0 HD22 LEU A 104 126.110 6.810 -2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 104 126.858 8.423 -2.402 1.00 0.00 H new ATOM 1188 N TYR A 105 125.508 8.808 1.553 1.00 0.00 N ATOM 1189 CA TYR A 105 124.782 8.996 2.843 1.00 0.00 C ATOM 1190 C TYR A 105 123.695 7.926 2.979 1.00 0.00 C ATOM 1191 O TYR A 105 122.699 7.952 2.283 1.00 0.00 O ATOM 1192 CB TYR A 105 124.160 10.390 2.751 1.00 0.00 C ATOM 1193 CG TYR A 105 125.251 11.432 2.785 1.00 0.00 C ATOM 1194 CD1 TYR A 105 125.909 11.716 3.988 1.00 0.00 C ATOM 1195 CD2 TYR A 105 125.606 12.115 1.615 1.00 0.00 C ATOM 1196 CE1 TYR A 105 126.922 12.682 4.021 1.00 0.00 C ATOM 1197 CE2 TYR A 105 126.618 13.081 1.648 1.00 0.00 C ATOM 1198 CZ TYR A 105 127.277 13.365 2.851 1.00 0.00 C ATOM 1199 OH TYR A 105 128.275 14.317 2.883 1.00 0.00 O ATOM 0 H TYR A 105 124.913 8.774 0.725 1.00 0.00 H new ATOM 0 HA TYR A 105 125.436 8.906 3.710 1.00 0.00 H new ATOM 0 HB2 TYR A 105 123.583 10.482 1.831 1.00 0.00 H new ATOM 0 HB3 TYR A 105 123.468 10.546 3.578 1.00 0.00 H new ATOM 0 HD1 TYR A 105 125.635 11.190 4.891 1.00 0.00 H new ATOM 0 HD2 TYR A 105 125.099 11.896 0.687 1.00 0.00 H new ATOM 0 HE1 TYR A 105 127.430 12.900 4.949 1.00 0.00 H new ATOM 0 HE2 TYR A 105 126.891 13.608 0.746 1.00 0.00 H new ATOM 0 HH TYR A 105 128.397 14.694 1.987 1.00 0.00 H new ATOM 1209 N LEU A 106 123.889 6.983 3.864 1.00 0.00 N ATOM 1210 CA LEU A 106 122.880 5.895 4.043 1.00 0.00 C ATOM 1211 C LEU A 106 121.832 6.293 5.085 1.00 0.00 C ATOM 1212 O LEU A 106 122.160 6.700 6.183 1.00 0.00 O ATOM 1213 CB LEU A 106 123.687 4.691 4.528 1.00 0.00 C ATOM 1214 CG LEU A 106 122.767 3.476 4.655 1.00 0.00 C ATOM 1215 CD1 LEU A 106 123.549 2.206 4.316 1.00 0.00 C ATOM 1216 CD2 LEU A 106 122.241 3.382 6.089 1.00 0.00 C ATOM 0 H LEU A 106 124.705 6.919 4.473 1.00 0.00 H new ATOM 0 HA LEU A 106 122.336 5.685 3.122 1.00 0.00 H new ATOM 0 HB2 LEU A 106 124.495 4.477 3.829 1.00 0.00 H new ATOM 0 HB3 LEU A 106 124.148 4.913 5.490 1.00 0.00 H new ATOM 0 HG LEU A 106 121.929 3.582 3.966 1.00 0.00 H new ATOM 0 HD11 LEU A 106 122.893 1.340 4.407 1.00 0.00 H new ATOM 0 HD12 LEU A 106 123.925 2.272 3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 106 124.387 2.100 5.005 1.00 0.00 H new ATOM 0 HD21 LEU A 106 121.585 2.516 6.180 1.00 0.00 H new ATOM 0 HD22 LEU A 106 123.079 3.276 6.778 1.00 0.00 H new ATOM 0 HD23 LEU A 106 121.683 4.287 6.332 1.00 0.00 H new ATOM 1228 N VAL A 107 120.573 6.164 4.748 1.00 0.00 N ATOM 1229 CA VAL A 107 119.492 6.520 5.718 1.00 0.00 C ATOM 1230 C VAL A 107 119.214 5.327 6.637 1.00 0.00 C ATOM 1231 O VAL A 107 119.042 4.212 6.180 1.00 0.00 O ATOM 1232 CB VAL A 107 118.266 6.838 4.854 1.00 0.00 C ATOM 1233 CG1 VAL A 107 117.087 7.222 5.753 1.00 0.00 C ATOM 1234 CG2 VAL A 107 118.586 8.005 3.916 1.00 0.00 C ATOM 0 H VAL A 107 120.247 5.827 3.842 1.00 0.00 H new ATOM 0 HA VAL A 107 119.761 7.363 6.355 1.00 0.00 H new ATOM 0 HB VAL A 107 118.005 5.958 4.266 1.00 0.00 H new ATOM 0 HG11 VAL A 107 116.217 7.447 5.136 1.00 0.00 H new ATOM 0 HG12 VAL A 107 116.853 6.393 6.421 1.00 0.00 H new ATOM 0 HG13 VAL A 107 117.350 8.100 6.343 1.00 0.00 H new ATOM 0 HG21 VAL A 107 117.713 8.229 3.303 1.00 0.00 H new ATOM 0 HG22 VAL A 107 118.851 8.883 4.505 1.00 0.00 H new ATOM 0 HG23 VAL A 107 119.422 7.735 3.271 1.00 0.00 H new ATOM 1244 N THR A 108 119.170 5.552 7.927 1.00 0.00 N ATOM 1245 CA THR A 108 118.906 4.427 8.878 1.00 0.00 C ATOM 1246 C THR A 108 117.427 4.398 9.278 1.00 0.00 C ATOM 1247 O THR A 108 116.621 5.155 8.772 1.00 0.00 O ATOM 1248 CB THR A 108 119.785 4.701 10.101 1.00 0.00 C ATOM 1249 OG1 THR A 108 119.825 6.101 10.360 1.00 0.00 O ATOM 1250 CG2 THR A 108 121.199 4.165 9.846 1.00 0.00 C ATOM 0 H THR A 108 119.305 6.464 8.362 1.00 0.00 H new ATOM 0 HA THR A 108 119.133 3.461 8.428 1.00 0.00 H new ATOM 0 HB THR A 108 119.367 4.196 10.972 1.00 0.00 H new ATOM 0 HG1 THR A 108 120.544 6.510 9.835 1.00 0.00 H new ATOM 0 HG21 THR A 108 121.825 4.360 10.717 1.00 0.00 H new ATOM 0 HG22 THR A 108 121.154 3.091 9.665 1.00 0.00 H new ATOM 0 HG23 THR A 108 121.625 4.662 8.975 1.00 0.00 H new ATOM 1258 N ARG A 109 117.072 3.517 10.179 1.00 0.00 N ATOM 1259 CA ARG A 109 115.647 3.414 10.621 1.00 0.00 C ATOM 1260 C ARG A 109 115.242 4.641 11.449 1.00 0.00 C ATOM 1261 O ARG A 109 114.082 5.006 11.493 1.00 0.00 O ATOM 1262 CB ARG A 109 115.582 2.146 11.477 1.00 0.00 C ATOM 1263 CG ARG A 109 114.140 1.905 11.929 1.00 0.00 C ATOM 1264 CD ARG A 109 114.115 0.825 13.012 1.00 0.00 C ATOM 1265 NE ARG A 109 112.667 0.499 13.197 1.00 0.00 N ATOM 1266 CZ ARG A 109 111.894 1.229 13.976 1.00 0.00 C ATOM 1267 NH1 ARG A 109 112.302 2.379 14.462 1.00 0.00 N ATOM 1268 NH2 ARG A 109 110.696 0.802 14.266 1.00 0.00 N ATOM 0 H ARG A 109 117.711 2.862 10.630 1.00 0.00 H new ATOM 0 HA ARG A 109 114.964 3.371 9.773 1.00 0.00 H new ATOM 0 HB2 ARG A 109 115.942 1.291 10.906 1.00 0.00 H new ATOM 0 HB3 ARG A 109 116.234 2.247 12.345 1.00 0.00 H new ATOM 0 HG2 ARG A 109 113.709 2.830 12.313 1.00 0.00 H new ATOM 0 HG3 ARG A 109 113.529 1.597 11.080 1.00 0.00 H new ATOM 0 HD2 ARG A 109 114.682 -0.054 12.706 1.00 0.00 H new ATOM 0 HD3 ARG A 109 114.561 1.185 13.939 1.00 0.00 H new ATOM 0 HE ARG A 109 112.270 -0.305 12.710 1.00 0.00 H new ATOM 0 HH11 ARG A 109 113.235 2.725 14.239 1.00 0.00 H new ATOM 0 HH12 ARG A 109 111.686 2.926 15.063 1.00 0.00 H new ATOM 0 HH21 ARG A 109 110.367 -0.088 13.891 1.00 0.00 H new ATOM 0 HH22 ARG A 109 110.088 1.358 14.868 1.00 0.00 H new ATOM 1282 N HIS A 110 116.183 5.275 12.104 1.00 0.00 N ATOM 1283 CA HIS A 110 115.839 6.476 12.930 1.00 0.00 C ATOM 1284 C HIS A 110 116.311 7.764 12.244 1.00 0.00 C ATOM 1285 O HIS A 110 116.610 8.751 12.887 1.00 0.00 O ATOM 1286 CB HIS A 110 116.509 6.274 14.300 1.00 0.00 C ATOM 1287 CG HIS A 110 117.988 6.024 14.160 1.00 0.00 C ATOM 1288 ND1 HIS A 110 118.504 4.769 13.875 1.00 0.00 N ATOM 1289 CD2 HIS A 110 119.073 6.849 14.310 1.00 0.00 C ATOM 1290 CE1 HIS A 110 119.845 4.874 13.864 1.00 0.00 C ATOM 1291 NE2 HIS A 110 120.245 6.120 14.124 1.00 0.00 N ATOM 0 H HIS A 110 117.169 5.016 12.104 1.00 0.00 H new ATOM 0 HA HIS A 110 114.761 6.580 13.050 1.00 0.00 H new ATOM 0 HB2 HIS A 110 116.345 7.155 14.920 1.00 0.00 H new ATOM 0 HB3 HIS A 110 116.044 5.432 14.813 1.00 0.00 H new ATOM 0 HD1 HIS A 110 117.965 3.920 13.705 1.00 0.00 H new ATOM 0 HD2 HIS A 110 119.026 7.904 14.538 1.00 0.00 H new ATOM 0 HE1 HIS A 110 120.516 4.050 13.669 1.00 0.00 H new ATOM 1299 N ALA A 111 116.349 7.762 10.931 1.00 0.00 N ATOM 1300 CA ALA A 111 116.765 8.983 10.163 1.00 0.00 C ATOM 1301 C ALA A 111 118.146 9.489 10.598 1.00 0.00 C ATOM 1302 O ALA A 111 118.300 10.634 10.984 1.00 0.00 O ATOM 1303 CB ALA A 111 115.687 10.035 10.452 1.00 0.00 C ATOM 0 H ALA A 111 116.107 6.958 10.352 1.00 0.00 H new ATOM 0 HA ALA A 111 116.851 8.764 9.099 1.00 0.00 H new ATOM 0 HB1 ALA A 111 115.927 10.957 9.922 1.00 0.00 H new ATOM 0 HB2 ALA A 111 114.718 9.665 10.117 1.00 0.00 H new ATOM 0 HB3 ALA A 111 115.649 10.232 11.523 1.00 0.00 H new ATOM 1309 N ASP A 112 119.151 8.654 10.522 1.00 0.00 N ATOM 1310 CA ASP A 112 120.526 9.094 10.913 1.00 0.00 C ATOM 1311 C ASP A 112 121.419 9.178 9.671 1.00 0.00 C ATOM 1312 O ASP A 112 121.385 8.313 8.815 1.00 0.00 O ATOM 1313 CB ASP A 112 121.040 8.015 11.869 1.00 0.00 C ATOM 1314 CG ASP A 112 121.695 8.671 13.087 1.00 0.00 C ATOM 1315 OD1 ASP A 112 121.015 8.834 14.086 1.00 0.00 O ATOM 1316 OD2 ASP A 112 122.867 8.997 12.999 1.00 0.00 O ATOM 0 H ASP A 112 119.080 7.687 10.206 1.00 0.00 H new ATOM 0 HA ASP A 112 120.527 10.079 11.380 1.00 0.00 H new ATOM 0 HB2 ASP A 112 120.216 7.376 12.188 1.00 0.00 H new ATOM 0 HB3 ASP A 112 121.760 7.376 11.358 1.00 0.00 H new ATOM 1321 N VAL A 113 122.214 10.214 9.570 1.00 0.00 N ATOM 1322 CA VAL A 113 123.114 10.360 8.387 1.00 0.00 C ATOM 1323 C VAL A 113 124.411 9.573 8.606 1.00 0.00 C ATOM 1324 O VAL A 113 125.071 9.717 9.619 1.00 0.00 O ATOM 1325 CB VAL A 113 123.393 11.866 8.278 1.00 0.00 C ATOM 1326 CG1 VAL A 113 124.096 12.372 9.548 1.00 0.00 C ATOM 1327 CG2 VAL A 113 124.280 12.129 7.056 1.00 0.00 C ATOM 0 H VAL A 113 122.278 10.965 10.257 1.00 0.00 H new ATOM 0 HA VAL A 113 122.665 9.969 7.474 1.00 0.00 H new ATOM 0 HB VAL A 113 122.448 12.397 8.167 1.00 0.00 H new ATOM 0 HG11 VAL A 113 124.287 13.441 9.456 1.00 0.00 H new ATOM 0 HG12 VAL A 113 123.459 12.190 10.414 1.00 0.00 H new ATOM 0 HG13 VAL A 113 125.041 11.844 9.676 1.00 0.00 H new ATOM 0 HG21 VAL A 113 124.480 13.197 6.975 1.00 0.00 H new ATOM 0 HG22 VAL A 113 125.221 11.591 7.167 1.00 0.00 H new ATOM 0 HG23 VAL A 113 123.770 11.786 6.156 1.00 0.00 H new ATOM 1337 N ILE A 114 124.776 8.741 7.664 1.00 0.00 N ATOM 1338 CA ILE A 114 126.027 7.937 7.807 1.00 0.00 C ATOM 1339 C ILE A 114 126.890 8.070 6.538 1.00 0.00 C ATOM 1340 O ILE A 114 126.565 7.493 5.520 1.00 0.00 O ATOM 1341 CB ILE A 114 125.548 6.488 7.982 1.00 0.00 C ATOM 1342 CG1 ILE A 114 124.657 6.379 9.233 1.00 0.00 C ATOM 1343 CG2 ILE A 114 126.754 5.554 8.126 1.00 0.00 C ATOM 1344 CD1 ILE A 114 125.438 6.794 10.487 1.00 0.00 C ATOM 0 H ILE A 114 124.259 8.584 6.799 1.00 0.00 H new ATOM 0 HA ILE A 114 126.640 8.269 8.645 1.00 0.00 H new ATOM 0 HB ILE A 114 124.972 6.197 7.104 1.00 0.00 H new ATOM 0 HG12 ILE A 114 123.779 7.014 9.118 1.00 0.00 H new ATOM 0 HG13 ILE A 114 124.298 5.356 9.343 1.00 0.00 H new ATOM 0 HG21 ILE A 114 126.407 4.528 8.250 1.00 0.00 H new ATOM 0 HG22 ILE A 114 127.375 5.622 7.233 1.00 0.00 H new ATOM 0 HG23 ILE A 114 127.339 5.847 8.998 1.00 0.00 H new ATOM 0 HD11 ILE A 114 124.793 6.711 11.362 1.00 0.00 H new ATOM 0 HD12 ILE A 114 126.302 6.141 10.610 1.00 0.00 H new ATOM 0 HD13 ILE A 114 125.775 7.825 10.381 1.00 0.00 H new ATOM 1356 N PRO A 115 127.968 8.823 6.629 1.00 0.00 N ATOM 1357 CA PRO A 115 128.857 9.001 5.451 1.00 0.00 C ATOM 1358 C PRO A 115 129.612 7.702 5.156 1.00 0.00 C ATOM 1359 O PRO A 115 130.350 7.202 5.984 1.00 0.00 O ATOM 1360 CB PRO A 115 129.817 10.106 5.884 1.00 0.00 C ATOM 1361 CG PRO A 115 129.828 10.042 7.376 1.00 0.00 C ATOM 1362 CD PRO A 115 128.464 9.566 7.801 1.00 0.00 C ATOM 0 HA PRO A 115 128.316 9.253 4.539 1.00 0.00 H new ATOM 0 HB2 PRO A 115 130.814 9.946 5.474 1.00 0.00 H new ATOM 0 HB3 PRO A 115 129.481 11.082 5.533 1.00 0.00 H new ATOM 0 HG2 PRO A 115 130.602 9.360 7.728 1.00 0.00 H new ATOM 0 HG3 PRO A 115 130.046 11.021 7.803 1.00 0.00 H new ATOM 0 HD2 PRO A 115 128.520 8.929 8.684 1.00 0.00 H new ATOM 0 HD3 PRO A 115 127.809 10.401 8.051 1.00 0.00 H new ATOM 1370 N VAL A 116 129.425 7.150 3.984 1.00 0.00 N ATOM 1371 CA VAL A 116 130.122 5.876 3.628 1.00 0.00 C ATOM 1372 C VAL A 116 131.002 6.084 2.391 1.00 0.00 C ATOM 1373 O VAL A 116 130.553 6.589 1.379 1.00 0.00 O ATOM 1374 CB VAL A 116 128.996 4.879 3.329 1.00 0.00 C ATOM 1375 CG1 VAL A 116 129.591 3.516 2.961 1.00 0.00 C ATOM 1376 CG2 VAL A 116 128.109 4.719 4.569 1.00 0.00 C ATOM 0 H VAL A 116 128.818 7.527 3.256 1.00 0.00 H new ATOM 0 HA VAL A 116 130.776 5.524 4.426 1.00 0.00 H new ATOM 0 HB VAL A 116 128.402 5.254 2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 116 128.786 2.812 2.750 1.00 0.00 H new ATOM 0 HG12 VAL A 116 130.222 3.621 2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 116 130.189 3.144 3.793 1.00 0.00 H new ATOM 0 HG21 VAL A 116 127.309 4.010 4.355 1.00 0.00 H new ATOM 0 HG22 VAL A 116 128.709 4.349 5.400 1.00 0.00 H new ATOM 0 HG23 VAL A 116 127.677 5.684 4.834 1.00 0.00 H new ATOM 1386 N ARG A 117 132.247 5.689 2.465 1.00 0.00 N ATOM 1387 CA ARG A 117 133.162 5.850 1.295 1.00 0.00 C ATOM 1388 C ARG A 117 132.968 4.686 0.321 1.00 0.00 C ATOM 1389 O ARG A 117 132.875 3.541 0.723 1.00 0.00 O ATOM 1390 CB ARG A 117 134.573 5.826 1.887 1.00 0.00 C ATOM 1391 CG ARG A 117 134.955 7.232 2.358 1.00 0.00 C ATOM 1392 CD ARG A 117 135.529 8.030 1.182 1.00 0.00 C ATOM 1393 NE ARG A 117 136.716 8.748 1.742 1.00 0.00 N ATOM 1394 CZ ARG A 117 137.695 9.163 0.965 1.00 0.00 C ATOM 1395 NH1 ARG A 117 137.585 9.147 -0.343 1.00 0.00 N ATOM 1396 NH2 ARG A 117 138.797 9.604 1.506 1.00 0.00 N ATOM 0 H ARG A 117 132.671 5.261 3.288 1.00 0.00 H new ATOM 0 HA ARG A 117 132.972 6.769 0.741 1.00 0.00 H new ATOM 0 HB2 ARG A 117 134.616 5.127 2.722 1.00 0.00 H new ATOM 0 HB3 ARG A 117 135.286 5.475 1.141 1.00 0.00 H new ATOM 0 HG2 ARG A 117 134.080 7.741 2.763 1.00 0.00 H new ATOM 0 HG3 ARG A 117 135.689 7.170 3.162 1.00 0.00 H new ATOM 0 HD2 ARG A 117 135.817 7.372 0.362 1.00 0.00 H new ATOM 0 HD3 ARG A 117 134.795 8.731 0.785 1.00 0.00 H new ATOM 0 HE ARG A 117 136.768 8.920 2.746 1.00 0.00 H new ATOM 0 HH11 ARG A 117 136.727 8.808 -0.779 1.00 0.00 H new ATOM 0 HH12 ARG A 117 138.357 9.474 -0.924 1.00 0.00 H new ATOM 0 HH21 ARG A 117 138.894 9.625 2.521 1.00 0.00 H new ATOM 0 HH22 ARG A 117 139.562 9.928 0.914 1.00 0.00 H new ATOM 1410 N ARG A 118 132.901 4.971 -0.955 1.00 0.00 N ATOM 1411 CA ARG A 118 132.706 3.883 -1.960 1.00 0.00 C ATOM 1412 C ARG A 118 134.042 3.210 -2.285 1.00 0.00 C ATOM 1413 O ARG A 118 135.039 3.868 -2.517 1.00 0.00 O ATOM 1414 CB ARG A 118 132.142 4.580 -3.198 1.00 0.00 C ATOM 1415 CG ARG A 118 131.335 3.576 -4.024 1.00 0.00 C ATOM 1416 CD ARG A 118 131.160 4.104 -5.450 1.00 0.00 C ATOM 1417 NE ARG A 118 129.901 3.467 -5.944 1.00 0.00 N ATOM 1418 CZ ARG A 118 129.718 3.208 -7.224 1.00 0.00 C ATOM 1419 NH1 ARG A 118 130.535 3.672 -8.140 1.00 0.00 N ATOM 1420 NH2 ARG A 118 128.701 2.477 -7.588 1.00 0.00 N ATOM 0 H ARG A 118 132.973 5.911 -1.344 1.00 0.00 H new ATOM 0 HA ARG A 118 132.040 3.102 -1.593 1.00 0.00 H new ATOM 0 HB2 ARG A 118 131.508 5.416 -2.901 1.00 0.00 H new ATOM 0 HB3 ARG A 118 132.953 4.992 -3.798 1.00 0.00 H new ATOM 0 HG2 ARG A 118 131.845 2.613 -4.043 1.00 0.00 H new ATOM 0 HG3 ARG A 118 130.360 3.412 -3.564 1.00 0.00 H new ATOM 0 HD2 ARG A 118 131.084 5.191 -5.462 1.00 0.00 H new ATOM 0 HD3 ARG A 118 132.010 3.837 -6.077 1.00 0.00 H new ATOM 0 HE ARG A 118 129.168 3.228 -5.277 1.00 0.00 H new ATOM 0 HH11 ARG A 118 131.333 4.247 -7.868 1.00 0.00 H new ATOM 0 HH12 ARG A 118 130.372 3.458 -9.124 1.00 0.00 H new ATOM 0 HH21 ARG A 118 128.058 2.112 -6.886 1.00 0.00 H new ATOM 0 HH22 ARG A 118 128.549 2.270 -8.575 1.00 0.00 H new ATOM 1434 N ARG A 119 134.062 1.901 -2.314 1.00 0.00 N ATOM 1435 CA ARG A 119 135.327 1.170 -2.635 1.00 0.00 C ATOM 1436 C ARG A 119 135.054 0.027 -3.623 1.00 0.00 C ATOM 1437 O ARG A 119 135.849 -0.883 -3.759 1.00 0.00 O ATOM 1438 CB ARG A 119 135.838 0.624 -1.295 1.00 0.00 C ATOM 1439 CG ARG A 119 134.802 -0.323 -0.671 1.00 0.00 C ATOM 1440 CD ARG A 119 135.241 -1.781 -0.859 1.00 0.00 C ATOM 1441 NE ARG A 119 136.572 -1.880 -0.183 1.00 0.00 N ATOM 1442 CZ ARG A 119 137.435 -2.821 -0.508 1.00 0.00 C ATOM 1443 NH1 ARG A 119 137.097 -3.823 -1.286 1.00 0.00 N ATOM 1444 NH2 ARG A 119 138.653 -2.758 -0.043 1.00 0.00 N ATOM 0 H ARG A 119 133.255 1.305 -2.129 1.00 0.00 H new ATOM 0 HA ARG A 119 136.062 1.821 -3.108 1.00 0.00 H new ATOM 0 HB2 ARG A 119 136.779 0.095 -1.446 1.00 0.00 H new ATOM 0 HB3 ARG A 119 136.042 1.449 -0.613 1.00 0.00 H new ATOM 0 HG2 ARG A 119 134.689 -0.103 0.391 1.00 0.00 H new ATOM 0 HG3 ARG A 119 133.828 -0.166 -1.134 1.00 0.00 H new ATOM 0 HD2 ARG A 119 134.522 -2.469 -0.415 1.00 0.00 H new ATOM 0 HD3 ARG A 119 135.316 -2.036 -1.916 1.00 0.00 H new ATOM 0 HE ARG A 119 136.816 -1.206 0.543 1.00 0.00 H new ATOM 0 HH11 ARG A 119 136.148 -3.886 -1.654 1.00 0.00 H new ATOM 0 HH12 ARG A 119 137.784 -4.539 -1.523 1.00 0.00 H new ATOM 0 HH21 ARG A 119 138.928 -1.986 0.565 1.00 0.00 H new ATOM 0 HH22 ARG A 119 139.330 -3.481 -0.287 1.00 0.00 H new ATOM 1458 N GLY A 120 133.940 0.070 -4.313 1.00 0.00 N ATOM 1459 CA GLY A 120 133.616 -1.009 -5.290 1.00 0.00 C ATOM 1460 C GLY A 120 132.356 -0.629 -6.067 1.00 0.00 C ATOM 1461 O GLY A 120 131.765 0.409 -5.837 1.00 0.00 O ATOM 0 H GLY A 120 133.241 0.809 -4.239 1.00 0.00 H new ATOM 0 HA2 GLY A 120 134.450 -1.155 -5.977 1.00 0.00 H new ATOM 0 HA3 GLY A 120 133.464 -1.954 -4.768 1.00 0.00 H new ATOM 1465 N ASP A 121 131.943 -1.463 -6.986 1.00 0.00 N ATOM 1466 CA ASP A 121 130.718 -1.157 -7.787 1.00 0.00 C ATOM 1467 C ASP A 121 129.469 -1.251 -6.906 1.00 0.00 C ATOM 1468 O ASP A 121 128.560 -0.449 -7.020 1.00 0.00 O ATOM 1469 CB ASP A 121 130.680 -2.222 -8.885 1.00 0.00 C ATOM 1470 CG ASP A 121 131.814 -1.972 -9.880 1.00 0.00 C ATOM 1471 OD1 ASP A 121 132.117 -0.816 -10.124 1.00 0.00 O ATOM 1472 OD2 ASP A 121 132.363 -2.940 -10.379 1.00 0.00 O ATOM 0 H ASP A 121 132.401 -2.344 -7.217 1.00 0.00 H new ATOM 0 HA ASP A 121 130.740 -0.148 -8.199 1.00 0.00 H new ATOM 0 HB2 ASP A 121 130.779 -3.215 -8.446 1.00 0.00 H new ATOM 0 HB3 ASP A 121 129.719 -2.195 -9.399 1.00 0.00 H new ATOM 1477 N SER A 122 129.417 -2.225 -6.033 1.00 0.00 N ATOM 1478 CA SER A 122 128.224 -2.378 -5.145 1.00 0.00 C ATOM 1479 C SER A 122 128.652 -2.534 -3.681 1.00 0.00 C ATOM 1480 O SER A 122 127.935 -3.103 -2.878 1.00 0.00 O ATOM 1481 CB SER A 122 127.530 -3.648 -5.633 1.00 0.00 C ATOM 1482 OG SER A 122 126.777 -3.352 -6.802 1.00 0.00 O ATOM 0 H SER A 122 130.150 -2.922 -5.897 1.00 0.00 H new ATOM 0 HA SER A 122 127.571 -1.506 -5.188 1.00 0.00 H new ATOM 0 HB2 SER A 122 128.269 -4.420 -5.848 1.00 0.00 H new ATOM 0 HB3 SER A 122 126.876 -4.041 -4.855 1.00 0.00 H new ATOM 0 HG SER A 122 126.332 -4.165 -7.119 1.00 0.00 H new ATOM 1488 N ARG A 123 129.811 -2.034 -3.328 1.00 0.00 N ATOM 1489 CA ARG A 123 130.281 -2.154 -1.914 1.00 0.00 C ATOM 1490 C ARG A 123 131.020 -0.882 -1.490 1.00 0.00 C ATOM 1491 O ARG A 123 131.748 -0.291 -2.265 1.00 0.00 O ATOM 1492 CB ARG A 123 131.226 -3.356 -1.910 1.00 0.00 C ATOM 1493 CG ARG A 123 131.574 -3.725 -0.466 1.00 0.00 C ATOM 1494 CD ARG A 123 131.942 -5.210 -0.391 1.00 0.00 C ATOM 1495 NE ARG A 123 133.439 -5.250 -0.406 1.00 0.00 N ATOM 1496 CZ ARG A 123 134.094 -6.387 -0.281 1.00 0.00 C ATOM 1497 NH1 ARG A 123 133.475 -7.544 -0.337 1.00 0.00 N ATOM 1498 NH2 ARG A 123 135.386 -6.364 -0.100 1.00 0.00 N ATOM 0 H ARG A 123 130.450 -1.549 -3.957 1.00 0.00 H new ATOM 0 HA ARG A 123 129.455 -2.285 -1.214 1.00 0.00 H new ATOM 0 HB2 ARG A 123 130.757 -4.203 -2.410 1.00 0.00 H new ATOM 0 HB3 ARG A 123 132.134 -3.121 -2.466 1.00 0.00 H new ATOM 0 HG2 ARG A 123 132.406 -3.115 -0.114 1.00 0.00 H new ATOM 0 HG3 ARG A 123 130.727 -3.516 0.188 1.00 0.00 H new ATOM 0 HD2 ARG A 123 131.546 -5.668 0.515 1.00 0.00 H new ATOM 0 HD3 ARG A 123 131.526 -5.761 -1.234 1.00 0.00 H new ATOM 0 HE ARG A 123 133.962 -4.381 -0.515 1.00 0.00 H new ATOM 0 HH11 ARG A 123 132.466 -7.576 -0.480 1.00 0.00 H new ATOM 0 HH12 ARG A 123 134.004 -8.411 -0.238 1.00 0.00 H new ATOM 0 HH21 ARG A 123 135.879 -5.472 -0.056 1.00 0.00 H new ATOM 0 HH22 ARG A 123 135.903 -7.238 -0.002 1.00 0.00 H new ATOM 1512 N GLY A 124 130.833 -0.460 -0.265 1.00 0.00 N ATOM 1513 CA GLY A 124 131.520 0.774 0.221 1.00 0.00 C ATOM 1514 C GLY A 124 131.947 0.584 1.678 1.00 0.00 C ATOM 1515 O GLY A 124 131.394 -0.230 2.393 1.00 0.00 O ATOM 0 H GLY A 124 130.233 -0.918 0.421 1.00 0.00 H new ATOM 0 HA2 GLY A 124 132.391 0.986 -0.399 1.00 0.00 H new ATOM 0 HA3 GLY A 124 130.852 1.631 0.136 1.00 0.00 H new ATOM 1519 N SER A 125 132.928 1.331 2.118 1.00 0.00 N ATOM 1520 CA SER A 125 133.399 1.202 3.529 1.00 0.00 C ATOM 1521 C SER A 125 132.646 2.187 4.428 1.00 0.00 C ATOM 1522 O SER A 125 132.115 3.179 3.965 1.00 0.00 O ATOM 1523 CB SER A 125 134.887 1.548 3.482 1.00 0.00 C ATOM 1524 OG SER A 125 135.053 2.823 2.875 1.00 0.00 O ATOM 0 H SER A 125 133.423 2.026 1.559 1.00 0.00 H new ATOM 0 HA SER A 125 133.225 0.205 3.934 1.00 0.00 H new ATOM 0 HB2 SER A 125 135.303 1.555 4.490 1.00 0.00 H new ATOM 0 HB3 SER A 125 135.431 0.790 2.918 1.00 0.00 H new ATOM 0 HG SER A 125 136.006 3.049 2.844 1.00 0.00 H new ATOM 1530 N LEU A 126 132.594 1.917 5.707 1.00 0.00 N ATOM 1531 CA LEU A 126 131.873 2.830 6.644 1.00 0.00 C ATOM 1532 C LEU A 126 132.874 3.639 7.476 1.00 0.00 C ATOM 1533 O LEU A 126 133.757 3.088 8.104 1.00 0.00 O ATOM 1534 CB LEU A 126 131.054 1.901 7.541 1.00 0.00 C ATOM 1535 CG LEU A 126 130.200 2.730 8.501 1.00 0.00 C ATOM 1536 CD1 LEU A 126 129.105 3.454 7.715 1.00 0.00 C ATOM 1537 CD2 LEU A 126 129.555 1.806 9.535 1.00 0.00 C ATOM 0 H LEU A 126 133.021 1.101 6.144 1.00 0.00 H new ATOM 0 HA LEU A 126 131.246 3.551 6.120 1.00 0.00 H new ATOM 0 HB2 LEU A 126 130.416 1.261 6.932 1.00 0.00 H new ATOM 0 HB3 LEU A 126 131.718 1.245 8.104 1.00 0.00 H new ATOM 0 HG LEU A 126 130.829 3.462 9.007 1.00 0.00 H new ATOM 0 HD11 LEU A 126 128.496 4.045 8.399 1.00 0.00 H new ATOM 0 HD12 LEU A 126 129.562 4.112 6.976 1.00 0.00 H new ATOM 0 HD13 LEU A 126 128.475 2.722 7.209 1.00 0.00 H new ATOM 0 HD21 LEU A 126 128.946 2.396 10.220 1.00 0.00 H new ATOM 0 HD22 LEU A 126 128.926 1.075 9.027 1.00 0.00 H new ATOM 0 HD23 LEU A 126 130.333 1.288 10.096 1.00 0.00 H new ATOM 1549 N LEU A 127 132.736 4.942 7.485 1.00 0.00 N ATOM 1550 CA LEU A 127 133.676 5.793 8.279 1.00 0.00 C ATOM 1551 C LEU A 127 133.451 5.569 9.776 1.00 0.00 C ATOM 1552 O LEU A 127 134.388 5.464 10.544 1.00 0.00 O ATOM 1553 CB LEU A 127 133.338 7.236 7.898 1.00 0.00 C ATOM 1554 CG LEU A 127 134.266 7.699 6.774 1.00 0.00 C ATOM 1555 CD1 LEU A 127 133.760 7.159 5.434 1.00 0.00 C ATOM 1556 CD2 LEU A 127 134.289 9.228 6.734 1.00 0.00 C ATOM 0 H LEU A 127 132.014 5.453 6.977 1.00 0.00 H new ATOM 0 HA LEU A 127 134.719 5.555 8.071 1.00 0.00 H new ATOM 0 HB2 LEU A 127 132.299 7.304 7.577 1.00 0.00 H new ATOM 0 HB3 LEU A 127 133.447 7.887 8.765 1.00 0.00 H new ATOM 0 HG LEU A 127 135.273 7.323 6.956 1.00 0.00 H new ATOM 0 HD11 LEU A 127 134.423 7.490 4.635 1.00 0.00 H new ATOM 0 HD12 LEU A 127 133.743 6.070 5.464 1.00 0.00 H new ATOM 0 HD13 LEU A 127 132.753 7.532 5.248 1.00 0.00 H new ATOM 0 HD21 LEU A 127 134.950 9.561 5.934 1.00 0.00 H new ATOM 0 HD22 LEU A 127 133.282 9.602 6.552 1.00 0.00 H new ATOM 0 HD23 LEU A 127 134.652 9.611 7.688 1.00 0.00 H new ATOM 1568 N SER A 128 132.211 5.491 10.189 1.00 0.00 N ATOM 1569 CA SER A 128 131.911 5.267 11.633 1.00 0.00 C ATOM 1570 C SER A 128 131.524 3.796 11.860 1.00 0.00 C ATOM 1571 O SER A 128 130.400 3.414 11.597 1.00 0.00 O ATOM 1572 CB SER A 128 130.730 6.188 11.941 1.00 0.00 C ATOM 1573 OG SER A 128 129.744 6.042 10.928 1.00 0.00 O ATOM 0 H SER A 128 131.393 5.573 9.586 1.00 0.00 H new ATOM 0 HA SER A 128 132.766 5.479 12.276 1.00 0.00 H new ATOM 0 HB2 SER A 128 130.307 5.942 12.915 1.00 0.00 H new ATOM 0 HB3 SER A 128 131.065 7.224 11.992 1.00 0.00 H new ATOM 0 HG SER A 128 129.562 5.090 10.783 1.00 0.00 H new ATOM 1579 N PRO A 129 132.466 3.006 12.333 1.00 0.00 N ATOM 1580 CA PRO A 129 132.188 1.574 12.573 1.00 0.00 C ATOM 1581 C PRO A 129 131.259 1.391 13.776 1.00 0.00 C ATOM 1582 O PRO A 129 131.660 1.558 14.913 1.00 0.00 O ATOM 1583 CB PRO A 129 133.564 0.971 12.846 1.00 0.00 C ATOM 1584 CG PRO A 129 134.392 2.112 13.336 1.00 0.00 C ATOM 1585 CD PRO A 129 133.849 3.356 12.686 1.00 0.00 C ATOM 0 HA PRO A 129 131.683 1.098 11.733 1.00 0.00 H new ATOM 0 HB2 PRO A 129 133.507 0.176 13.590 1.00 0.00 H new ATOM 0 HB3 PRO A 129 133.990 0.533 11.943 1.00 0.00 H new ATOM 0 HG2 PRO A 129 134.339 2.189 14.422 1.00 0.00 H new ATOM 0 HG3 PRO A 129 135.441 1.967 13.077 1.00 0.00 H new ATOM 0 HD2 PRO A 129 133.883 4.207 13.366 1.00 0.00 H new ATOM 0 HD3 PRO A 129 134.428 3.629 11.804 1.00 0.00 H new ATOM 1593 N ARG A 130 130.023 1.042 13.527 1.00 0.00 N ATOM 1594 CA ARG A 130 129.057 0.835 14.645 1.00 0.00 C ATOM 1595 C ARG A 130 128.638 -0.641 14.702 1.00 0.00 C ATOM 1596 O ARG A 130 128.808 -1.360 13.739 1.00 0.00 O ATOM 1597 CB ARG A 130 127.854 1.718 14.309 1.00 0.00 C ATOM 1598 CG ARG A 130 128.041 3.098 14.940 1.00 0.00 C ATOM 1599 CD ARG A 130 128.729 4.030 13.939 1.00 0.00 C ATOM 1600 NE ARG A 130 128.745 5.367 14.607 1.00 0.00 N ATOM 1601 CZ ARG A 130 129.684 5.688 15.473 1.00 0.00 C ATOM 1602 NH1 ARG A 130 130.526 4.794 15.935 1.00 0.00 N ATOM 1603 NH2 ARG A 130 129.778 6.924 15.883 1.00 0.00 N ATOM 0 H ARG A 130 129.641 0.891 12.593 1.00 0.00 H new ATOM 0 HA ARG A 130 129.485 1.090 15.614 1.00 0.00 H new ATOM 0 HB2 ARG A 130 127.749 1.812 13.228 1.00 0.00 H new ATOM 0 HB3 ARG A 130 126.938 1.258 14.679 1.00 0.00 H new ATOM 0 HG2 ARG A 130 127.075 3.510 15.231 1.00 0.00 H new ATOM 0 HG3 ARG A 130 128.640 3.016 15.847 1.00 0.00 H new ATOM 0 HD2 ARG A 130 129.739 3.690 13.712 1.00 0.00 H new ATOM 0 HD3 ARG A 130 128.185 4.066 12.995 1.00 0.00 H new ATOM 0 HE ARG A 130 128.014 6.044 14.388 1.00 0.00 H new ATOM 0 HH11 ARG A 130 130.462 3.825 15.624 1.00 0.00 H new ATOM 0 HH12 ARG A 130 131.244 5.068 16.605 1.00 0.00 H new ATOM 0 HH21 ARG A 130 129.129 7.628 15.533 1.00 0.00 H new ATOM 0 HH22 ARG A 130 130.501 7.185 16.554 1.00 0.00 H new ATOM 1617 N PRO A 131 128.103 -1.056 15.830 1.00 0.00 N ATOM 1618 CA PRO A 131 127.671 -2.467 15.975 1.00 0.00 C ATOM 1619 C PRO A 131 126.421 -2.731 15.130 1.00 0.00 C ATOM 1620 O PRO A 131 125.619 -1.845 14.905 1.00 0.00 O ATOM 1621 CB PRO A 131 127.361 -2.599 17.465 1.00 0.00 C ATOM 1622 CG PRO A 131 127.044 -1.210 17.917 1.00 0.00 C ATOM 1623 CD PRO A 131 127.849 -0.276 17.053 1.00 0.00 C ATOM 0 HA PRO A 131 128.422 -3.182 15.639 1.00 0.00 H new ATOM 0 HB2 PRO A 131 126.520 -3.271 17.635 1.00 0.00 H new ATOM 0 HB3 PRO A 131 128.212 -3.008 18.011 1.00 0.00 H new ATOM 0 HG2 PRO A 131 125.978 -1.005 17.818 1.00 0.00 H new ATOM 0 HG3 PRO A 131 127.298 -1.079 18.969 1.00 0.00 H new ATOM 0 HD2 PRO A 131 127.300 0.640 16.836 1.00 0.00 H new ATOM 0 HD3 PRO A 131 128.779 0.017 17.540 1.00 0.00 H new ATOM 1631 N VAL A 132 126.246 -3.948 14.664 1.00 0.00 N ATOM 1632 CA VAL A 132 125.038 -4.284 13.832 1.00 0.00 C ATOM 1633 C VAL A 132 123.760 -3.817 14.554 1.00 0.00 C ATOM 1634 O VAL A 132 122.777 -3.480 13.926 1.00 0.00 O ATOM 1635 CB VAL A 132 125.075 -5.823 13.682 1.00 0.00 C ATOM 1636 CG1 VAL A 132 123.784 -6.350 13.033 1.00 0.00 C ATOM 1637 CG2 VAL A 132 126.270 -6.219 12.802 1.00 0.00 C ATOM 0 H VAL A 132 126.887 -4.725 14.823 1.00 0.00 H new ATOM 0 HA VAL A 132 125.041 -3.791 12.860 1.00 0.00 H new ATOM 0 HB VAL A 132 125.169 -6.260 14.676 1.00 0.00 H new ATOM 0 HG11 VAL A 132 123.840 -7.435 12.941 1.00 0.00 H new ATOM 0 HG12 VAL A 132 122.929 -6.082 13.654 1.00 0.00 H new ATOM 0 HG13 VAL A 132 123.667 -5.907 12.044 1.00 0.00 H new ATOM 0 HG21 VAL A 132 126.299 -7.303 12.694 1.00 0.00 H new ATOM 0 HG22 VAL A 132 126.166 -5.759 11.819 1.00 0.00 H new ATOM 0 HG23 VAL A 132 127.194 -5.876 13.267 1.00 0.00 H new ATOM 1647 N SER A 133 123.780 -3.800 15.862 1.00 0.00 N ATOM 1648 CA SER A 133 122.575 -3.361 16.635 1.00 0.00 C ATOM 1649 C SER A 133 122.215 -1.907 16.310 1.00 0.00 C ATOM 1650 O SER A 133 121.053 -1.565 16.184 1.00 0.00 O ATOM 1651 CB SER A 133 122.971 -3.494 18.107 1.00 0.00 C ATOM 1652 OG SER A 133 121.835 -3.238 18.923 1.00 0.00 O ATOM 0 H SER A 133 124.581 -4.072 16.432 1.00 0.00 H new ATOM 0 HA SER A 133 121.700 -3.962 16.388 1.00 0.00 H new ATOM 0 HB2 SER A 133 123.356 -4.495 18.303 1.00 0.00 H new ATOM 0 HB3 SER A 133 123.770 -2.792 18.346 1.00 0.00 H new ATOM 0 HG SER A 133 122.084 -3.324 19.867 1.00 0.00 H new ATOM 1658 N TYR A 134 123.197 -1.049 16.172 1.00 0.00 N ATOM 1659 CA TYR A 134 122.905 0.384 15.854 1.00 0.00 C ATOM 1660 C TYR A 134 122.309 0.485 14.449 1.00 0.00 C ATOM 1661 O TYR A 134 121.396 1.247 14.198 1.00 0.00 O ATOM 1662 CB TYR A 134 124.261 1.097 15.922 1.00 0.00 C ATOM 1663 CG TYR A 134 124.085 2.566 15.613 1.00 0.00 C ATOM 1664 CD1 TYR A 134 123.527 3.425 16.568 1.00 0.00 C ATOM 1665 CD2 TYR A 134 124.480 3.065 14.368 1.00 0.00 C ATOM 1666 CE1 TYR A 134 123.366 4.784 16.275 1.00 0.00 C ATOM 1667 CE2 TYR A 134 124.319 4.423 14.075 1.00 0.00 C ATOM 1668 CZ TYR A 134 123.761 5.284 15.028 1.00 0.00 C ATOM 1669 OH TYR A 134 123.601 6.624 14.739 1.00 0.00 O ATOM 0 H TYR A 134 124.186 -1.279 16.266 1.00 0.00 H new ATOM 0 HA TYR A 134 122.187 0.828 16.543 1.00 0.00 H new ATOM 0 HB2 TYR A 134 124.697 0.975 16.914 1.00 0.00 H new ATOM 0 HB3 TYR A 134 124.954 0.647 15.211 1.00 0.00 H new ATOM 0 HD1 TYR A 134 123.221 3.039 17.529 1.00 0.00 H new ATOM 0 HD2 TYR A 134 124.910 2.401 13.632 1.00 0.00 H new ATOM 0 HE1 TYR A 134 122.937 5.448 17.011 1.00 0.00 H new ATOM 0 HE2 TYR A 134 124.625 4.808 13.113 1.00 0.00 H new ATOM 0 HH TYR A 134 123.927 6.804 13.832 1.00 0.00 H new ATOM 1679 N LEU A 135 122.832 -0.287 13.539 1.00 0.00 N ATOM 1680 CA LEU A 135 122.327 -0.266 12.138 1.00 0.00 C ATOM 1681 C LEU A 135 121.291 -1.380 11.933 1.00 0.00 C ATOM 1682 O LEU A 135 121.020 -1.782 10.816 1.00 0.00 O ATOM 1683 CB LEU A 135 123.577 -0.526 11.293 1.00 0.00 C ATOM 1684 CG LEU A 135 123.306 -0.190 9.823 1.00 0.00 C ATOM 1685 CD1 LEU A 135 123.168 1.326 9.647 1.00 0.00 C ATOM 1686 CD2 LEU A 135 124.473 -0.695 8.970 1.00 0.00 C ATOM 0 H LEU A 135 123.597 -0.940 13.708 1.00 0.00 H new ATOM 0 HA LEU A 135 121.833 0.669 11.876 1.00 0.00 H new ATOM 0 HB2 LEU A 135 124.406 0.076 11.664 1.00 0.00 H new ATOM 0 HB3 LEU A 135 123.876 -1.570 11.385 1.00 0.00 H new ATOM 0 HG LEU A 135 122.379 -0.670 9.509 1.00 0.00 H new ATOM 0 HD11 LEU A 135 122.976 1.555 8.599 1.00 0.00 H new ATOM 0 HD12 LEU A 135 122.340 1.689 10.256 1.00 0.00 H new ATOM 0 HD13 LEU A 135 124.090 1.814 9.961 1.00 0.00 H new ATOM 0 HD21 LEU A 135 124.287 -0.459 7.922 1.00 0.00 H new ATOM 0 HD22 LEU A 135 125.395 -0.212 9.292 1.00 0.00 H new ATOM 0 HD23 LEU A 135 124.569 -1.774 9.087 1.00 0.00 H new ATOM 1698 N LYS A 136 120.723 -1.903 12.998 1.00 0.00 N ATOM 1699 CA LYS A 136 119.730 -3.006 12.841 1.00 0.00 C ATOM 1700 C LYS A 136 118.358 -2.497 12.481 1.00 0.00 C ATOM 1701 O LYS A 136 117.708 -1.787 13.224 1.00 0.00 O ATOM 1702 CB LYS A 136 119.729 -3.777 14.157 1.00 0.00 C ATOM 1703 CG LYS A 136 119.448 -5.247 13.854 1.00 0.00 C ATOM 1704 CD LYS A 136 119.937 -6.118 15.010 1.00 0.00 C ATOM 1705 CE LYS A 136 120.325 -7.495 14.470 1.00 0.00 C ATOM 1706 NZ LYS A 136 120.965 -8.193 15.620 1.00 0.00 N ATOM 0 H LYS A 136 120.905 -1.613 13.959 1.00 0.00 H new ATOM 0 HA LYS A 136 120.009 -3.656 12.012 1.00 0.00 H new ATOM 0 HB2 LYS A 136 120.690 -3.670 14.660 1.00 0.00 H new ATOM 0 HB3 LYS A 136 118.971 -3.377 14.830 1.00 0.00 H new ATOM 0 HG2 LYS A 136 118.380 -5.398 13.700 1.00 0.00 H new ATOM 0 HG3 LYS A 136 119.948 -5.539 12.930 1.00 0.00 H new ATOM 0 HD2 LYS A 136 120.793 -5.650 15.497 1.00 0.00 H new ATOM 0 HD3 LYS A 136 119.156 -6.216 15.764 1.00 0.00 H new ATOM 0 HE2 LYS A 136 119.451 -8.040 14.114 1.00 0.00 H new ATOM 0 HE3 LYS A 136 121.012 -7.410 13.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 121.259 -9.147 15.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 121.798 -7.655 15.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 120.285 -8.266 16.404 1.00 0.00 H new ATOM 1720 N GLY A 137 117.923 -2.885 11.315 1.00 0.00 N ATOM 1721 CA GLY A 137 116.575 -2.459 10.838 1.00 0.00 C ATOM 1722 C GLY A 137 116.705 -1.300 9.848 1.00 0.00 C ATOM 1723 O GLY A 137 115.769 -0.550 9.639 1.00 0.00 O ATOM 0 H GLY A 137 118.443 -3.480 10.670 1.00 0.00 H new ATOM 0 HA2 GLY A 137 116.068 -3.298 10.362 1.00 0.00 H new ATOM 0 HA3 GLY A 137 115.961 -2.155 11.686 1.00 0.00 H new ATOM 1727 N SER A 138 117.851 -1.150 9.234 1.00 0.00 N ATOM 1728 CA SER A 138 118.036 -0.041 8.254 1.00 0.00 C ATOM 1729 C SER A 138 117.975 -0.576 6.819 1.00 0.00 C ATOM 1730 O SER A 138 118.457 0.059 5.899 1.00 0.00 O ATOM 1731 CB SER A 138 119.423 0.524 8.554 1.00 0.00 C ATOM 1732 OG SER A 138 119.530 0.789 9.947 1.00 0.00 O ATOM 0 H SER A 138 118.666 -1.748 9.370 1.00 0.00 H new ATOM 0 HA SER A 138 117.257 0.716 8.341 1.00 0.00 H new ATOM 0 HB2 SER A 138 120.192 -0.185 8.247 1.00 0.00 H new ATOM 0 HB3 SER A 138 119.587 1.439 7.984 1.00 0.00 H new ATOM 0 HG SER A 138 119.393 1.746 10.110 1.00 0.00 H new ATOM 1738 N SER A 139 117.382 -1.733 6.614 1.00 0.00 N ATOM 1739 CA SER A 139 117.294 -2.286 5.228 1.00 0.00 C ATOM 1740 C SER A 139 116.322 -1.442 4.401 1.00 0.00 C ATOM 1741 O SER A 139 115.260 -1.075 4.867 1.00 0.00 O ATOM 1742 CB SER A 139 116.766 -3.709 5.389 1.00 0.00 C ATOM 1743 OG SER A 139 117.387 -4.319 6.512 1.00 0.00 O ATOM 0 H SER A 139 116.960 -2.310 7.342 1.00 0.00 H new ATOM 0 HA SER A 139 118.256 -2.275 4.715 1.00 0.00 H new ATOM 0 HB2 SER A 139 115.684 -3.694 5.521 1.00 0.00 H new ATOM 0 HB3 SER A 139 116.969 -4.288 4.488 1.00 0.00 H new ATOM 0 HG SER A 139 117.048 -5.232 6.618 1.00 0.00 H new ATOM 1749 N GLY A 140 116.681 -1.125 3.184 1.00 0.00 N ATOM 1750 CA GLY A 140 115.786 -0.293 2.329 1.00 0.00 C ATOM 1751 C GLY A 140 116.271 1.160 2.338 1.00 0.00 C ATOM 1752 O GLY A 140 115.995 1.918 1.429 1.00 0.00 O ATOM 0 H GLY A 140 117.557 -1.408 2.745 1.00 0.00 H new ATOM 0 HA2 GLY A 140 115.779 -0.678 1.309 1.00 0.00 H new ATOM 0 HA3 GLY A 140 114.761 -0.347 2.697 1.00 0.00 H new ATOM 1756 N GLY A 141 117.000 1.554 3.361 1.00 0.00 N ATOM 1757 CA GLY A 141 117.510 2.958 3.434 1.00 0.00 C ATOM 1758 C GLY A 141 118.342 3.269 2.176 1.00 0.00 C ATOM 1759 O GLY A 141 119.418 2.729 2.013 1.00 0.00 O ATOM 0 H GLY A 141 117.262 0.960 4.148 1.00 0.00 H new ATOM 0 HA2 GLY A 141 116.676 3.655 3.513 1.00 0.00 H new ATOM 0 HA3 GLY A 141 118.120 3.088 4.328 1.00 0.00 H new ATOM 1763 N PRO A 142 117.823 4.119 1.312 1.00 0.00 N ATOM 1764 CA PRO A 142 118.558 4.458 0.069 1.00 0.00 C ATOM 1765 C PRO A 142 119.764 5.349 0.369 1.00 0.00 C ATOM 1766 O PRO A 142 119.688 6.271 1.161 1.00 0.00 O ATOM 1767 CB PRO A 142 117.527 5.211 -0.769 1.00 0.00 C ATOM 1768 CG PRO A 142 116.561 5.775 0.221 1.00 0.00 C ATOM 1769 CD PRO A 142 116.537 4.835 1.397 1.00 0.00 C ATOM 0 HA PRO A 142 118.955 3.577 -0.436 1.00 0.00 H new ATOM 0 HB2 PRO A 142 117.996 6.000 -1.356 1.00 0.00 H new ATOM 0 HB3 PRO A 142 117.027 4.545 -1.472 1.00 0.00 H new ATOM 0 HG2 PRO A 142 116.867 6.774 0.532 1.00 0.00 H new ATOM 0 HG3 PRO A 142 115.568 5.868 -0.219 1.00 0.00 H new ATOM 0 HD2 PRO A 142 116.444 5.377 2.338 1.00 0.00 H new ATOM 0 HD3 PRO A 142 115.693 4.147 1.340 1.00 0.00 H new ATOM 1777 N LEU A 143 120.870 5.087 -0.278 1.00 0.00 N ATOM 1778 CA LEU A 143 122.086 5.921 -0.065 1.00 0.00 C ATOM 1779 C LEU A 143 122.022 7.128 -1.004 1.00 0.00 C ATOM 1780 O LEU A 143 121.499 7.032 -2.099 1.00 0.00 O ATOM 1781 CB LEU A 143 123.264 5.013 -0.422 1.00 0.00 C ATOM 1782 CG LEU A 143 123.573 4.089 0.757 1.00 0.00 C ATOM 1783 CD1 LEU A 143 122.785 2.786 0.607 1.00 0.00 C ATOM 1784 CD2 LEU A 143 125.071 3.776 0.781 1.00 0.00 C ATOM 0 H LEU A 143 120.982 4.326 -0.948 1.00 0.00 H new ATOM 0 HA LEU A 143 122.176 6.297 0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 143 123.027 4.423 -1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 143 124.140 5.615 -0.665 1.00 0.00 H new ATOM 0 HG LEU A 143 123.288 4.581 1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 143 123.006 2.128 1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 143 121.718 3.006 0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 143 123.069 2.294 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 143 125.292 3.118 1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 143 125.355 3.285 -0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 143 125.635 4.703 0.889 1.00 0.00 H new ATOM 1796 N LEU A 144 122.529 8.261 -0.587 1.00 0.00 N ATOM 1797 CA LEU A 144 122.471 9.471 -1.464 1.00 0.00 C ATOM 1798 C LEU A 144 123.857 10.093 -1.642 1.00 0.00 C ATOM 1799 O LEU A 144 124.770 9.842 -0.881 1.00 0.00 O ATOM 1800 CB LEU A 144 121.542 10.442 -0.733 1.00 0.00 C ATOM 1801 CG LEU A 144 120.088 10.122 -1.082 1.00 0.00 C ATOM 1802 CD1 LEU A 144 119.544 9.081 -0.101 1.00 0.00 C ATOM 1803 CD2 LEU A 144 119.250 11.398 -0.990 1.00 0.00 C ATOM 0 H LEU A 144 122.978 8.401 0.318 1.00 0.00 H new ATOM 0 HA LEU A 144 122.115 9.226 -2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 144 121.693 10.365 0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 144 121.777 11.468 -1.015 1.00 0.00 H new ATOM 0 HG LEU A 144 120.036 9.726 -2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 144 118.508 8.853 -0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 144 120.141 8.172 -0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 144 119.595 9.476 0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 144 118.213 11.171 -1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 144 119.302 11.795 0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 144 119.637 12.139 -1.690 1.00 0.00 H new ATOM 1815 N CYS A 145 124.005 10.916 -2.646 1.00 0.00 N ATOM 1816 CA CYS A 145 125.316 11.587 -2.900 1.00 0.00 C ATOM 1817 C CYS A 145 125.132 13.112 -2.805 1.00 0.00 C ATOM 1818 O CYS A 145 124.014 13.588 -2.810 1.00 0.00 O ATOM 1819 CB CYS A 145 125.725 11.146 -4.318 1.00 0.00 C ATOM 1820 SG CYS A 145 124.478 11.657 -5.530 1.00 0.00 S ATOM 0 H CYS A 145 123.267 11.155 -3.308 1.00 0.00 H new ATOM 0 HA CYS A 145 126.085 11.318 -2.176 1.00 0.00 H new ATOM 0 HB2 CYS A 145 126.690 11.582 -4.576 1.00 0.00 H new ATOM 0 HB3 CYS A 145 125.846 10.063 -4.347 1.00 0.00 H new ATOM 0 HG CYS A 145 123.462 10.847 -5.475 1.00 0.00 H new ATOM 1825 N PRO A 146 126.224 13.842 -2.702 1.00 0.00 N ATOM 1826 CA PRO A 146 126.127 15.323 -2.586 1.00 0.00 C ATOM 1827 C PRO A 146 125.550 15.960 -3.860 1.00 0.00 C ATOM 1828 O PRO A 146 125.191 17.124 -3.859 1.00 0.00 O ATOM 1829 CB PRO A 146 127.572 15.761 -2.350 1.00 0.00 C ATOM 1830 CG PRO A 146 128.399 14.659 -2.922 1.00 0.00 C ATOM 1831 CD PRO A 146 127.626 13.391 -2.689 1.00 0.00 C ATOM 0 HA PRO A 146 125.453 15.635 -1.788 1.00 0.00 H new ATOM 0 HB2 PRO A 146 127.783 16.711 -2.841 1.00 0.00 H new ATOM 0 HB3 PRO A 146 127.776 15.899 -1.288 1.00 0.00 H new ATOM 0 HG2 PRO A 146 128.576 14.817 -3.986 1.00 0.00 H new ATOM 0 HG3 PRO A 146 129.375 14.614 -2.439 1.00 0.00 H new ATOM 0 HD2 PRO A 146 127.819 12.653 -3.468 1.00 0.00 H new ATOM 0 HD3 PRO A 146 127.891 12.927 -1.739 1.00 0.00 H new ATOM 1839 N SER A 147 125.450 15.220 -4.940 1.00 0.00 N ATOM 1840 CA SER A 147 124.886 15.807 -6.196 1.00 0.00 C ATOM 1841 C SER A 147 123.372 16.013 -6.044 1.00 0.00 C ATOM 1842 O SER A 147 122.805 16.939 -6.592 1.00 0.00 O ATOM 1843 CB SER A 147 125.207 14.791 -7.302 1.00 0.00 C ATOM 1844 OG SER A 147 124.151 13.844 -7.419 1.00 0.00 O ATOM 0 H SER A 147 125.733 14.242 -5.005 1.00 0.00 H new ATOM 0 HA SER A 147 125.311 16.784 -6.428 1.00 0.00 H new ATOM 0 HB2 SER A 147 125.349 15.308 -8.251 1.00 0.00 H new ATOM 0 HB3 SER A 147 126.142 14.278 -7.075 1.00 0.00 H new ATOM 0 HG SER A 147 124.454 12.973 -7.087 1.00 0.00 H new ATOM 1850 N GLY A 148 122.719 15.155 -5.299 1.00 0.00 N ATOM 1851 CA GLY A 148 121.245 15.294 -5.099 1.00 0.00 C ATOM 1852 C GLY A 148 120.508 14.088 -5.696 1.00 0.00 C ATOM 1853 O GLY A 148 119.326 14.162 -5.978 1.00 0.00 O ATOM 0 H GLY A 148 123.146 14.362 -4.820 1.00 0.00 H new ATOM 0 HA2 GLY A 148 121.022 15.374 -4.035 1.00 0.00 H new ATOM 0 HA3 GLY A 148 120.893 16.212 -5.569 1.00 0.00 H new ATOM 1857 N HIS A 149 121.187 12.983 -5.889 1.00 0.00 N ATOM 1858 CA HIS A 149 120.516 11.779 -6.469 1.00 0.00 C ATOM 1859 C HIS A 149 120.833 10.536 -5.631 1.00 0.00 C ATOM 1860 O HIS A 149 121.861 10.458 -4.986 1.00 0.00 O ATOM 1861 CB HIS A 149 121.103 11.638 -7.873 1.00 0.00 C ATOM 1862 CG HIS A 149 120.686 12.813 -8.717 1.00 0.00 C ATOM 1863 ND1 HIS A 149 121.478 13.301 -9.744 1.00 0.00 N ATOM 1864 CD2 HIS A 149 119.563 13.603 -8.700 1.00 0.00 C ATOM 1865 CE1 HIS A 149 120.827 14.341 -10.298 1.00 0.00 C ATOM 1866 NE2 HIS A 149 119.655 14.568 -9.699 1.00 0.00 N ATOM 0 H HIS A 149 122.176 12.864 -5.670 1.00 0.00 H new ATOM 0 HA HIS A 149 119.431 11.882 -6.486 1.00 0.00 H new ATOM 0 HB2 HIS A 149 122.190 11.584 -7.819 1.00 0.00 H new ATOM 0 HB3 HIS A 149 120.760 10.710 -8.330 1.00 0.00 H new ATOM 0 HD2 HIS A 149 118.735 13.492 -8.016 1.00 0.00 H new ATOM 0 HE1 HIS A 149 121.206 14.921 -11.126 1.00 0.00 H new ATOM 0 HE2 HIS A 149 118.974 15.293 -9.925 1.00 0.00 H new ATOM 1874 N ALA A 150 119.955 9.563 -5.642 1.00 0.00 N ATOM 1875 CA ALA A 150 120.198 8.317 -4.852 1.00 0.00 C ATOM 1876 C ALA A 150 121.181 7.409 -5.598 1.00 0.00 C ATOM 1877 O ALA A 150 121.270 7.448 -6.810 1.00 0.00 O ATOM 1878 CB ALA A 150 118.830 7.646 -4.731 1.00 0.00 C ATOM 0 H ALA A 150 119.079 9.578 -6.165 1.00 0.00 H new ATOM 0 HA ALA A 150 120.632 8.524 -3.874 1.00 0.00 H new ATOM 0 HB1 ALA A 150 118.927 6.722 -4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 150 118.140 8.317 -4.219 1.00 0.00 H new ATOM 0 HB3 ALA A 150 118.446 7.421 -5.726 1.00 0.00 H new ATOM 1884 N VAL A 151 121.921 6.598 -4.883 1.00 0.00 N ATOM 1885 CA VAL A 151 122.904 5.693 -5.551 1.00 0.00 C ATOM 1886 C VAL A 151 122.485 4.225 -5.407 1.00 0.00 C ATOM 1887 O VAL A 151 122.801 3.407 -6.250 1.00 0.00 O ATOM 1888 CB VAL A 151 124.242 5.949 -4.845 1.00 0.00 C ATOM 1889 CG1 VAL A 151 124.644 7.414 -5.028 1.00 0.00 C ATOM 1890 CG2 VAL A 151 124.117 5.644 -3.349 1.00 0.00 C ATOM 0 H VAL A 151 121.886 6.524 -3.866 1.00 0.00 H new ATOM 0 HA VAL A 151 122.967 5.890 -6.621 1.00 0.00 H new ATOM 0 HB VAL A 151 125.001 5.299 -5.281 1.00 0.00 H new ATOM 0 HG11 VAL A 151 125.595 7.596 -4.526 1.00 0.00 H new ATOM 0 HG12 VAL A 151 124.747 7.633 -6.091 1.00 0.00 H new ATOM 0 HG13 VAL A 151 123.877 8.058 -4.597 1.00 0.00 H new ATOM 0 HG21 VAL A 151 125.073 5.829 -2.859 1.00 0.00 H new ATOM 0 HG22 VAL A 151 123.353 6.286 -2.909 1.00 0.00 H new ATOM 0 HG23 VAL A 151 123.836 4.600 -3.213 1.00 0.00 H new ATOM 1900 N GLY A 152 121.784 3.881 -4.351 1.00 0.00 N ATOM 1901 CA GLY A 152 121.359 2.456 -4.173 1.00 0.00 C ATOM 1902 C GLY A 152 120.607 2.286 -2.849 1.00 0.00 C ATOM 1903 O GLY A 152 120.117 3.237 -2.275 1.00 0.00 O ATOM 0 H GLY A 152 121.490 4.519 -3.612 1.00 0.00 H new ATOM 0 HA2 GLY A 152 120.720 2.154 -5.003 1.00 0.00 H new ATOM 0 HA3 GLY A 152 122.233 1.804 -4.189 1.00 0.00 H new ATOM 1907 N ILE A 153 120.509 1.068 -2.371 1.00 0.00 N ATOM 1908 CA ILE A 153 119.785 0.810 -1.087 1.00 0.00 C ATOM 1909 C ILE A 153 120.608 -0.133 -0.195 1.00 0.00 C ATOM 1910 O ILE A 153 121.371 -0.950 -0.680 1.00 0.00 O ATOM 1911 CB ILE A 153 118.462 0.150 -1.503 1.00 0.00 C ATOM 1912 CG1 ILE A 153 117.632 1.140 -2.322 1.00 0.00 C ATOM 1913 CG2 ILE A 153 117.663 -0.255 -0.261 1.00 0.00 C ATOM 1914 CD1 ILE A 153 116.446 0.410 -2.955 1.00 0.00 C ATOM 0 H ILE A 153 120.901 0.239 -2.817 1.00 0.00 H new ATOM 0 HA ILE A 153 119.620 1.722 -0.513 1.00 0.00 H new ATOM 0 HB ILE A 153 118.683 -0.736 -2.099 1.00 0.00 H new ATOM 0 HG12 ILE A 153 117.276 1.948 -1.683 1.00 0.00 H new ATOM 0 HG13 ILE A 153 118.249 1.594 -3.097 1.00 0.00 H new ATOM 0 HG21 ILE A 153 116.727 -0.722 -0.567 1.00 0.00 H new ATOM 0 HG22 ILE A 153 118.244 -0.962 0.331 1.00 0.00 H new ATOM 0 HG23 ILE A 153 117.448 0.630 0.338 1.00 0.00 H new ATOM 0 HD11 ILE A 153 115.854 1.115 -3.539 1.00 0.00 H new ATOM 0 HD12 ILE A 153 116.813 -0.383 -3.607 1.00 0.00 H new ATOM 0 HD13 ILE A 153 115.825 -0.023 -2.171 1.00 0.00 H new ATOM 1926 N PHE A 154 120.449 -0.024 1.103 1.00 0.00 N ATOM 1927 CA PHE A 154 121.210 -0.913 2.034 1.00 0.00 C ATOM 1928 C PHE A 154 120.692 -2.345 1.934 1.00 0.00 C ATOM 1929 O PHE A 154 119.546 -2.577 1.594 1.00 0.00 O ATOM 1930 CB PHE A 154 120.950 -0.362 3.441 1.00 0.00 C ATOM 1931 CG PHE A 154 121.903 -1.010 4.427 1.00 0.00 C ATOM 1932 CD1 PHE A 154 123.280 -1.048 4.160 1.00 0.00 C ATOM 1933 CD2 PHE A 154 121.409 -1.574 5.611 1.00 0.00 C ATOM 1934 CE1 PHE A 154 124.155 -1.648 5.073 1.00 0.00 C ATOM 1935 CE2 PHE A 154 122.288 -2.171 6.521 1.00 0.00 C ATOM 1936 CZ PHE A 154 123.659 -2.208 6.253 1.00 0.00 C ATOM 0 H PHE A 154 119.825 0.643 1.557 1.00 0.00 H new ATOM 0 HA PHE A 154 122.273 -0.929 1.794 1.00 0.00 H new ATOM 0 HB2 PHE A 154 121.083 0.720 3.449 1.00 0.00 H new ATOM 0 HB3 PHE A 154 119.919 -0.558 3.734 1.00 0.00 H new ATOM 0 HD1 PHE A 154 123.665 -0.614 3.249 1.00 0.00 H new ATOM 0 HD2 PHE A 154 120.350 -1.548 5.821 1.00 0.00 H new ATOM 0 HE1 PHE A 154 125.214 -1.678 4.865 1.00 0.00 H new ATOM 0 HE2 PHE A 154 121.906 -2.605 7.433 1.00 0.00 H new ATOM 0 HZ PHE A 154 124.335 -2.669 6.958 1.00 0.00 H new ATOM 1946 N ARG A 155 121.526 -3.305 2.234 1.00 0.00 N ATOM 1947 CA ARG A 155 121.086 -4.726 2.167 1.00 0.00 C ATOM 1948 C ARG A 155 121.577 -5.494 3.399 1.00 0.00 C ATOM 1949 O ARG A 155 120.815 -5.775 4.310 1.00 0.00 O ATOM 1950 CB ARG A 155 121.712 -5.279 0.882 1.00 0.00 C ATOM 1951 CG ARG A 155 121.316 -6.752 0.726 1.00 0.00 C ATOM 1952 CD ARG A 155 121.686 -7.286 -0.671 1.00 0.00 C ATOM 1953 NE ARG A 155 121.185 -6.280 -1.665 1.00 0.00 N ATOM 1954 CZ ARG A 155 119.911 -6.200 -1.988 1.00 0.00 C ATOM 1955 NH1 ARG A 155 118.993 -6.852 -1.326 1.00 0.00 N ATOM 1956 NH2 ARG A 155 119.556 -5.458 -2.997 1.00 0.00 N ATOM 0 H ARG A 155 122.494 -3.165 2.523 1.00 0.00 H new ATOM 0 HA ARG A 155 120.000 -4.824 2.156 1.00 0.00 H new ATOM 0 HB2 ARG A 155 121.372 -4.705 0.020 1.00 0.00 H new ATOM 0 HB3 ARG A 155 122.797 -5.183 0.921 1.00 0.00 H new ATOM 0 HG2 ARG A 155 121.816 -7.348 1.490 1.00 0.00 H new ATOM 0 HG3 ARG A 155 120.244 -6.862 0.887 1.00 0.00 H new ATOM 0 HD2 ARG A 155 122.764 -7.416 -0.762 1.00 0.00 H new ATOM 0 HD3 ARG A 155 121.232 -8.261 -0.845 1.00 0.00 H new ATOM 0 HE ARG A 155 121.849 -5.641 -2.102 1.00 0.00 H new ATOM 0 HH11 ARG A 155 119.256 -7.442 -0.536 1.00 0.00 H new ATOM 0 HH12 ARG A 155 118.013 -6.771 -1.599 1.00 0.00 H new ATOM 0 HH21 ARG A 155 120.262 -4.947 -3.527 1.00 0.00 H new ATOM 0 HH22 ARG A 155 118.572 -5.388 -3.257 1.00 0.00 H new ATOM 1970 N ALA A 156 122.838 -5.839 3.435 1.00 0.00 N ATOM 1971 CA ALA A 156 123.365 -6.592 4.604 1.00 0.00 C ATOM 1972 C ALA A 156 124.488 -5.814 5.282 1.00 0.00 C ATOM 1973 O ALA A 156 125.300 -5.175 4.641 1.00 0.00 O ATOM 1974 CB ALA A 156 123.891 -7.913 4.035 1.00 0.00 C ATOM 0 H ALA A 156 123.521 -5.631 2.707 1.00 0.00 H new ATOM 0 HA ALA A 156 122.596 -6.755 5.360 1.00 0.00 H new ATOM 0 HB1 ALA A 156 124.296 -8.522 4.843 1.00 0.00 H new ATOM 0 HB2 ALA A 156 123.076 -8.450 3.550 1.00 0.00 H new ATOM 0 HB3 ALA A 156 124.676 -7.709 3.306 1.00 0.00 H new ATOM 1980 N ALA A 157 124.537 -5.888 6.579 1.00 0.00 N ATOM 1981 CA ALA A 157 125.610 -5.178 7.344 1.00 0.00 C ATOM 1982 C ALA A 157 126.777 -6.144 7.568 1.00 0.00 C ATOM 1983 O ALA A 157 126.592 -7.257 8.014 1.00 0.00 O ATOM 1984 CB ALA A 157 124.965 -4.784 8.672 1.00 0.00 C ATOM 0 H ALA A 157 123.877 -6.413 7.152 1.00 0.00 H new ATOM 0 HA ALA A 157 125.999 -4.303 6.823 1.00 0.00 H new ATOM 0 HB1 ALA A 157 125.694 -4.257 9.288 1.00 0.00 H new ATOM 0 HB2 ALA A 157 124.112 -4.133 8.483 1.00 0.00 H new ATOM 0 HB3 ALA A 157 124.629 -5.680 9.193 1.00 0.00 H new ATOM 1990 N VAL A 158 127.968 -5.737 7.214 1.00 0.00 N ATOM 1991 CA VAL A 158 129.156 -6.646 7.345 1.00 0.00 C ATOM 1992 C VAL A 158 129.926 -6.381 8.641 1.00 0.00 C ATOM 1993 O VAL A 158 130.470 -5.309 8.832 1.00 0.00 O ATOM 1994 CB VAL A 158 130.073 -6.322 6.145 1.00 0.00 C ATOM 1995 CG1 VAL A 158 131.022 -7.502 5.888 1.00 0.00 C ATOM 1996 CG2 VAL A 158 129.249 -6.042 4.874 1.00 0.00 C ATOM 0 H VAL A 158 128.174 -4.812 6.838 1.00 0.00 H new ATOM 0 HA VAL A 158 128.834 -7.687 7.363 1.00 0.00 H new ATOM 0 HB VAL A 158 130.647 -5.427 6.387 1.00 0.00 H new ATOM 0 HG11 VAL A 158 131.668 -7.271 5.041 1.00 0.00 H new ATOM 0 HG12 VAL A 158 131.633 -7.677 6.773 1.00 0.00 H new ATOM 0 HG13 VAL A 158 130.439 -8.396 5.667 1.00 0.00 H new ATOM 0 HG21 VAL A 158 129.922 -5.817 4.046 1.00 0.00 H new ATOM 0 HG22 VAL A 158 128.651 -6.919 4.627 1.00 0.00 H new ATOM 0 HG23 VAL A 158 128.590 -5.191 5.048 1.00 0.00 H new ATOM 2006 N CYS A 159 130.005 -7.355 9.519 1.00 0.00 N ATOM 2007 CA CYS A 159 130.775 -7.153 10.785 1.00 0.00 C ATOM 2008 C CYS A 159 131.568 -8.419 11.142 1.00 0.00 C ATOM 2009 O CYS A 159 131.140 -9.525 10.872 1.00 0.00 O ATOM 2010 CB CYS A 159 129.724 -6.836 11.856 1.00 0.00 C ATOM 2011 SG CYS A 159 128.589 -8.234 12.050 1.00 0.00 S ATOM 0 H CYS A 159 129.573 -8.273 9.413 1.00 0.00 H new ATOM 0 HA CYS A 159 131.506 -6.349 10.695 1.00 0.00 H new ATOM 0 HB2 CYS A 159 130.215 -6.622 12.805 1.00 0.00 H new ATOM 0 HB3 CYS A 159 129.167 -5.942 11.576 1.00 0.00 H new ATOM 0 HG CYS A 159 129.170 -9.324 11.646 1.00 0.00 H new ATOM 2017 N THR A 160 132.714 -8.260 11.757 1.00 0.00 N ATOM 2018 CA THR A 160 133.532 -9.449 12.145 1.00 0.00 C ATOM 2019 C THR A 160 132.969 -10.069 13.427 1.00 0.00 C ATOM 2020 O THR A 160 132.721 -11.257 13.496 1.00 0.00 O ATOM 2021 CB THR A 160 134.942 -8.902 12.385 1.00 0.00 C ATOM 2022 OG1 THR A 160 135.323 -8.083 11.288 1.00 0.00 O ATOM 2023 CG2 THR A 160 135.927 -10.065 12.522 1.00 0.00 C ATOM 0 H THR A 160 133.118 -7.357 12.007 1.00 0.00 H new ATOM 0 HA THR A 160 133.526 -10.227 11.381 1.00 0.00 H new ATOM 0 HB THR A 160 134.952 -8.311 13.301 1.00 0.00 H new ATOM 0 HG1 THR A 160 136.261 -8.254 11.062 1.00 0.00 H new ATOM 0 HG21 THR A 160 136.930 -9.674 12.693 1.00 0.00 H new ATOM 0 HG22 THR A 160 135.634 -10.693 13.364 1.00 0.00 H new ATOM 0 HG23 THR A 160 135.919 -10.658 11.607 1.00 0.00 H new ATOM 2031 N ARG A 161 132.758 -9.264 14.437 1.00 0.00 N ATOM 2032 CA ARG A 161 132.199 -9.787 15.719 1.00 0.00 C ATOM 2033 C ARG A 161 131.016 -8.921 16.164 1.00 0.00 C ATOM 2034 O ARG A 161 130.822 -8.671 17.339 1.00 0.00 O ATOM 2035 CB ARG A 161 133.350 -9.710 16.726 1.00 0.00 C ATOM 2036 CG ARG A 161 133.835 -8.260 16.870 1.00 0.00 C ATOM 2037 CD ARG A 161 134.106 -7.959 18.349 1.00 0.00 C ATOM 2038 NE ARG A 161 132.985 -7.065 18.784 1.00 0.00 N ATOM 2039 CZ ARG A 161 132.991 -6.490 19.971 1.00 0.00 C ATOM 2040 NH1 ARG A 161 133.865 -6.827 20.891 1.00 0.00 N ATOM 2041 NH2 ARG A 161 132.107 -5.569 20.237 1.00 0.00 N ATOM 0 H ARG A 161 132.950 -8.262 14.428 1.00 0.00 H new ATOM 0 HA ARG A 161 131.825 -10.807 15.625 1.00 0.00 H new ATOM 0 HB2 ARG A 161 133.022 -10.089 17.694 1.00 0.00 H new ATOM 0 HB3 ARG A 161 134.173 -10.345 16.398 1.00 0.00 H new ATOM 0 HG2 ARG A 161 134.742 -8.108 16.284 1.00 0.00 H new ATOM 0 HG3 ARG A 161 133.084 -7.573 16.479 1.00 0.00 H new ATOM 0 HD2 ARG A 161 134.129 -8.875 18.939 1.00 0.00 H new ATOM 0 HD3 ARG A 161 135.072 -7.471 18.480 1.00 0.00 H new ATOM 0 HE ARG A 161 132.203 -6.898 18.151 1.00 0.00 H new ATOM 0 HH11 ARG A 161 134.559 -7.548 20.695 1.00 0.00 H new ATOM 0 HH12 ARG A 161 133.850 -6.368 21.802 1.00 0.00 H new ATOM 0 HH21 ARG A 161 131.421 -5.301 19.531 1.00 0.00 H new ATOM 0 HH22 ARG A 161 132.101 -5.117 21.151 1.00 0.00 H new ATOM 2055 N GLY A 162 130.234 -8.457 15.224 1.00 0.00 N ATOM 2056 CA GLY A 162 129.061 -7.599 15.564 1.00 0.00 C ATOM 2057 C GLY A 162 129.368 -6.129 15.233 1.00 0.00 C ATOM 2058 O GLY A 162 128.479 -5.302 15.220 1.00 0.00 O ATOM 0 H GLY A 162 130.359 -8.637 14.228 1.00 0.00 H new ATOM 0 HA2 GLY A 162 128.185 -7.930 15.007 1.00 0.00 H new ATOM 0 HA3 GLY A 162 128.822 -7.699 16.623 1.00 0.00 H new ATOM 2062 N VAL A 163 130.611 -5.800 14.952 1.00 0.00 N ATOM 2063 CA VAL A 163 130.957 -4.385 14.609 1.00 0.00 C ATOM 2064 C VAL A 163 130.907 -4.210 13.090 1.00 0.00 C ATOM 2065 O VAL A 163 131.589 -4.902 12.362 1.00 0.00 O ATOM 2066 CB VAL A 163 132.382 -4.178 15.134 1.00 0.00 C ATOM 2067 CG1 VAL A 163 132.843 -2.750 14.828 1.00 0.00 C ATOM 2068 CG2 VAL A 163 132.408 -4.402 16.647 1.00 0.00 C ATOM 0 H VAL A 163 131.396 -6.451 14.946 1.00 0.00 H new ATOM 0 HA VAL A 163 130.267 -3.663 15.046 1.00 0.00 H new ATOM 0 HB VAL A 163 133.050 -4.888 14.646 1.00 0.00 H new ATOM 0 HG11 VAL A 163 133.856 -2.607 15.203 1.00 0.00 H new ATOM 0 HG12 VAL A 163 132.828 -2.586 13.751 1.00 0.00 H new ATOM 0 HG13 VAL A 163 132.173 -2.040 15.313 1.00 0.00 H new ATOM 0 HG21 VAL A 163 133.422 -4.255 17.019 1.00 0.00 H new ATOM 0 HG22 VAL A 163 131.737 -3.693 17.131 1.00 0.00 H new ATOM 0 HG23 VAL A 163 132.084 -5.419 16.870 1.00 0.00 H new ATOM 2078 N ALA A 164 130.094 -3.304 12.609 1.00 0.00 N ATOM 2079 CA ALA A 164 129.981 -3.104 11.133 1.00 0.00 C ATOM 2080 C ALA A 164 131.033 -2.113 10.622 1.00 0.00 C ATOM 2081 O ALA A 164 131.080 -0.971 11.036 1.00 0.00 O ATOM 2082 CB ALA A 164 128.575 -2.542 10.921 1.00 0.00 C ATOM 0 H ALA A 164 129.504 -2.694 13.175 1.00 0.00 H new ATOM 0 HA ALA A 164 130.147 -4.033 10.588 1.00 0.00 H new ATOM 0 HB1 ALA A 164 128.410 -2.366 9.858 1.00 0.00 H new ATOM 0 HB2 ALA A 164 127.838 -3.256 11.289 1.00 0.00 H new ATOM 0 HB3 ALA A 164 128.473 -1.603 11.465 1.00 0.00 H new ATOM 2088 N LYS A 165 131.866 -2.552 9.712 1.00 0.00 N ATOM 2089 CA LYS A 165 132.915 -1.654 9.146 1.00 0.00 C ATOM 2090 C LYS A 165 132.628 -1.384 7.664 1.00 0.00 C ATOM 2091 O LYS A 165 132.954 -0.337 7.139 1.00 0.00 O ATOM 2092 CB LYS A 165 134.228 -2.422 9.306 1.00 0.00 C ATOM 2093 CG LYS A 165 134.503 -2.664 10.794 1.00 0.00 C ATOM 2094 CD LYS A 165 135.961 -3.111 10.991 1.00 0.00 C ATOM 2095 CE LYS A 165 136.001 -4.465 11.706 1.00 0.00 C ATOM 2096 NZ LYS A 165 135.932 -5.477 10.617 1.00 0.00 N ATOM 0 H LYS A 165 131.863 -3.500 9.336 1.00 0.00 H new ATOM 0 HA LYS A 165 132.948 -0.687 9.649 1.00 0.00 H new ATOM 0 HB2 LYS A 165 134.172 -3.373 8.777 1.00 0.00 H new ATOM 0 HB3 LYS A 165 135.048 -1.858 8.861 1.00 0.00 H new ATOM 0 HG2 LYS A 165 134.313 -1.752 11.361 1.00 0.00 H new ATOM 0 HG3 LYS A 165 133.825 -3.426 11.179 1.00 0.00 H new ATOM 0 HD2 LYS A 165 136.461 -3.185 10.025 1.00 0.00 H new ATOM 0 HD3 LYS A 165 136.503 -2.366 11.574 1.00 0.00 H new ATOM 0 HE2 LYS A 165 136.914 -4.576 12.291 1.00 0.00 H new ATOM 0 HE3 LYS A 165 135.165 -4.571 12.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 135.886 -6.430 11.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 135.083 -5.309 10.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 136.779 -5.400 10.018 1.00 0.00 H new ATOM 2110 N ALA A 166 132.013 -2.327 6.990 1.00 0.00 N ATOM 2111 CA ALA A 166 131.691 -2.141 5.544 1.00 0.00 C ATOM 2112 C ALA A 166 130.186 -2.323 5.317 1.00 0.00 C ATOM 2113 O ALA A 166 129.472 -2.773 6.191 1.00 0.00 O ATOM 2114 CB ALA A 166 132.483 -3.226 4.813 1.00 0.00 C ATOM 0 H ALA A 166 131.720 -3.221 7.384 1.00 0.00 H new ATOM 0 HA ALA A 166 131.951 -1.145 5.186 1.00 0.00 H new ATOM 0 HB1 ALA A 166 132.297 -3.153 3.742 1.00 0.00 H new ATOM 0 HB2 ALA A 166 133.547 -3.092 5.006 1.00 0.00 H new ATOM 0 HB3 ALA A 166 132.170 -4.207 5.169 1.00 0.00 H new ATOM 2120 N VAL A 167 129.702 -1.967 4.153 1.00 0.00 N ATOM 2121 CA VAL A 167 128.238 -2.111 3.871 1.00 0.00 C ATOM 2122 C VAL A 167 128.003 -2.603 2.437 1.00 0.00 C ATOM 2123 O VAL A 167 128.639 -2.152 1.503 1.00 0.00 O ATOM 2124 CB VAL A 167 127.655 -0.704 4.058 1.00 0.00 C ATOM 2125 CG1 VAL A 167 127.870 -0.253 5.504 1.00 0.00 C ATOM 2126 CG2 VAL A 167 128.350 0.282 3.111 1.00 0.00 C ATOM 0 H VAL A 167 130.255 -1.584 3.387 1.00 0.00 H new ATOM 0 HA VAL A 167 127.769 -2.842 4.530 1.00 0.00 H new ATOM 0 HB VAL A 167 126.589 -0.727 3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 167 127.456 0.746 5.639 1.00 0.00 H new ATOM 0 HG12 VAL A 167 127.370 -0.947 6.180 1.00 0.00 H new ATOM 0 HG13 VAL A 167 128.937 -0.237 5.725 1.00 0.00 H new ATOM 0 HG21 VAL A 167 127.930 1.278 3.251 1.00 0.00 H new ATOM 0 HG22 VAL A 167 129.418 0.305 3.329 1.00 0.00 H new ATOM 0 HG23 VAL A 167 128.197 -0.035 2.079 1.00 0.00 H new ATOM 2136 N ASP A 168 127.090 -3.526 2.262 1.00 0.00 N ATOM 2137 CA ASP A 168 126.798 -4.057 0.895 1.00 0.00 C ATOM 2138 C ASP A 168 125.476 -3.483 0.363 1.00 0.00 C ATOM 2139 O ASP A 168 124.446 -3.572 1.008 1.00 0.00 O ATOM 2140 CB ASP A 168 126.688 -5.570 1.079 1.00 0.00 C ATOM 2141 CG ASP A 168 126.763 -6.258 -0.285 1.00 0.00 C ATOM 2142 OD1 ASP A 168 125.811 -6.141 -1.038 1.00 0.00 O ATOM 2143 OD2 ASP A 168 127.772 -6.889 -0.553 1.00 0.00 O ATOM 0 H ASP A 168 126.532 -3.936 3.011 1.00 0.00 H new ATOM 0 HA ASP A 168 127.569 -3.784 0.175 1.00 0.00 H new ATOM 0 HB2 ASP A 168 127.491 -5.928 1.723 1.00 0.00 H new ATOM 0 HB3 ASP A 168 125.749 -5.819 1.573 1.00 0.00 H new ATOM 2148 N PHE A 169 125.503 -2.900 -0.812 1.00 0.00 N ATOM 2149 CA PHE A 169 124.257 -2.314 -1.404 1.00 0.00 C ATOM 2150 C PHE A 169 124.288 -2.430 -2.935 1.00 0.00 C ATOM 2151 O PHE A 169 125.333 -2.632 -3.525 1.00 0.00 O ATOM 2152 CB PHE A 169 124.255 -0.838 -0.976 1.00 0.00 C ATOM 2153 CG PHE A 169 125.519 -0.155 -1.454 1.00 0.00 C ATOM 2154 CD1 PHE A 169 125.548 0.462 -2.711 1.00 0.00 C ATOM 2155 CD2 PHE A 169 126.656 -0.138 -0.639 1.00 0.00 C ATOM 2156 CE1 PHE A 169 126.716 1.095 -3.152 1.00 0.00 C ATOM 2157 CE2 PHE A 169 127.824 0.496 -1.080 1.00 0.00 C ATOM 2158 CZ PHE A 169 127.855 1.112 -2.337 1.00 0.00 C ATOM 0 H PHE A 169 126.338 -2.804 -1.389 1.00 0.00 H new ATOM 0 HA PHE A 169 123.362 -2.834 -1.063 1.00 0.00 H new ATOM 0 HB2 PHE A 169 123.381 -0.333 -1.388 1.00 0.00 H new ATOM 0 HB3 PHE A 169 124.182 -0.766 0.109 1.00 0.00 H new ATOM 0 HD1 PHE A 169 124.670 0.449 -3.340 1.00 0.00 H new ATOM 0 HD2 PHE A 169 126.633 -0.614 0.330 1.00 0.00 H new ATOM 0 HE1 PHE A 169 126.739 1.571 -4.121 1.00 0.00 H new ATOM 0 HE2 PHE A 169 128.701 0.510 -0.450 1.00 0.00 H new ATOM 0 HZ PHE A 169 128.756 1.600 -2.678 1.00 0.00 H new ATOM 2168 N VAL A 170 123.151 -2.302 -3.582 1.00 0.00 N ATOM 2169 CA VAL A 170 123.120 -2.401 -5.080 1.00 0.00 C ATOM 2170 C VAL A 170 122.802 -1.036 -5.708 1.00 0.00 C ATOM 2171 O VAL A 170 122.085 -0.248 -5.123 1.00 0.00 O ATOM 2172 CB VAL A 170 122.000 -3.393 -5.422 1.00 0.00 C ATOM 2173 CG1 VAL A 170 122.339 -4.778 -4.878 1.00 0.00 C ATOM 2174 CG2 VAL A 170 120.674 -2.912 -4.820 1.00 0.00 C ATOM 0 H VAL A 170 122.247 -2.134 -3.140 1.00 0.00 H new ATOM 0 HA VAL A 170 124.086 -2.726 -5.466 1.00 0.00 H new ATOM 0 HB VAL A 170 121.903 -3.452 -6.506 1.00 0.00 H new ATOM 0 HG11 VAL A 170 121.537 -5.473 -5.127 1.00 0.00 H new ATOM 0 HG12 VAL A 170 123.271 -5.125 -5.323 1.00 0.00 H new ATOM 0 HG13 VAL A 170 122.451 -4.726 -3.795 1.00 0.00 H new ATOM 0 HG21 VAL A 170 119.884 -3.621 -5.067 1.00 0.00 H new ATOM 0 HG22 VAL A 170 120.771 -2.840 -3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 170 120.423 -1.933 -5.228 1.00 0.00 H new ATOM 2184 N PRO A 171 123.321 -0.803 -6.895 1.00 0.00 N ATOM 2185 CA PRO A 171 123.043 0.471 -7.590 1.00 0.00 C ATOM 2186 C PRO A 171 121.648 0.412 -8.221 1.00 0.00 C ATOM 2187 O PRO A 171 121.097 -0.656 -8.413 1.00 0.00 O ATOM 2188 CB PRO A 171 124.121 0.540 -8.667 1.00 0.00 C ATOM 2189 CG PRO A 171 124.510 -0.882 -8.929 1.00 0.00 C ATOM 2190 CD PRO A 171 124.203 -1.679 -7.686 1.00 0.00 C ATOM 0 HA PRO A 171 123.059 1.340 -6.932 1.00 0.00 H new ATOM 0 HB2 PRO A 171 123.743 1.017 -9.571 1.00 0.00 H new ATOM 0 HB3 PRO A 171 124.976 1.126 -8.330 1.00 0.00 H new ATOM 0 HG2 PRO A 171 123.960 -1.278 -9.782 1.00 0.00 H new ATOM 0 HG3 PRO A 171 125.570 -0.949 -9.174 1.00 0.00 H new ATOM 0 HD2 PRO A 171 123.712 -2.621 -7.930 1.00 0.00 H new ATOM 0 HD3 PRO A 171 125.112 -1.926 -7.138 1.00 0.00 H new ATOM 2198 N VAL A 172 121.076 1.543 -8.549 1.00 0.00 N ATOM 2199 CA VAL A 172 119.713 1.543 -9.176 1.00 0.00 C ATOM 2200 C VAL A 172 119.734 0.735 -10.481 1.00 0.00 C ATOM 2201 O VAL A 172 118.724 0.212 -10.913 1.00 0.00 O ATOM 2202 CB VAL A 172 119.389 3.015 -9.460 1.00 0.00 C ATOM 2203 CG1 VAL A 172 117.983 3.127 -10.058 1.00 0.00 C ATOM 2204 CG2 VAL A 172 119.447 3.819 -8.157 1.00 0.00 C ATOM 0 H VAL A 172 121.490 2.465 -8.412 1.00 0.00 H new ATOM 0 HA VAL A 172 118.965 1.087 -8.527 1.00 0.00 H new ATOM 0 HB VAL A 172 120.120 3.411 -10.165 1.00 0.00 H new ATOM 0 HG11 VAL A 172 117.755 4.174 -10.259 1.00 0.00 H new ATOM 0 HG12 VAL A 172 117.937 2.561 -10.988 1.00 0.00 H new ATOM 0 HG13 VAL A 172 117.255 2.726 -9.353 1.00 0.00 H new ATOM 0 HG21 VAL A 172 119.216 4.864 -8.364 1.00 0.00 H new ATOM 0 HG22 VAL A 172 118.720 3.420 -7.450 1.00 0.00 H new ATOM 0 HG23 VAL A 172 120.447 3.746 -7.729 1.00 0.00 H new ATOM 2214 N GLU A 173 120.878 0.639 -11.110 1.00 0.00 N ATOM 2215 CA GLU A 173 120.978 -0.127 -12.392 1.00 0.00 C ATOM 2216 C GLU A 173 120.578 -1.587 -12.180 1.00 0.00 C ATOM 2217 O GLU A 173 119.995 -2.207 -13.052 1.00 0.00 O ATOM 2218 CB GLU A 173 122.447 -0.044 -12.799 1.00 0.00 C ATOM 2219 CG GLU A 173 122.579 -0.307 -14.298 1.00 0.00 C ATOM 2220 CD GLU A 173 123.936 -0.951 -14.593 1.00 0.00 C ATOM 2221 OE1 GLU A 173 124.880 -0.659 -13.878 1.00 0.00 O ATOM 2222 OE2 GLU A 173 124.006 -1.729 -15.531 1.00 0.00 O ATOM 0 H GLU A 173 121.751 1.059 -10.791 1.00 0.00 H new ATOM 0 HA GLU A 173 120.314 0.280 -13.155 1.00 0.00 H new ATOM 0 HB2 GLU A 173 122.847 0.940 -12.556 1.00 0.00 H new ATOM 0 HB3 GLU A 173 123.032 -0.773 -12.239 1.00 0.00 H new ATOM 0 HG2 GLU A 173 121.775 -0.961 -14.634 1.00 0.00 H new ATOM 0 HG3 GLU A 173 122.482 0.627 -14.851 1.00 0.00 H new ATOM 2229 N SER A 174 120.898 -2.147 -11.041 1.00 0.00 N ATOM 2230 CA SER A 174 120.547 -3.576 -10.789 1.00 0.00 C ATOM 2231 C SER A 174 119.027 -3.773 -10.832 1.00 0.00 C ATOM 2232 O SER A 174 118.544 -4.859 -11.088 1.00 0.00 O ATOM 2233 CB SER A 174 121.090 -3.889 -9.394 1.00 0.00 C ATOM 2234 OG SER A 174 121.329 -5.287 -9.286 1.00 0.00 O ATOM 0 H SER A 174 121.385 -1.678 -10.278 1.00 0.00 H new ATOM 0 HA SER A 174 120.971 -4.236 -11.546 1.00 0.00 H new ATOM 0 HB2 SER A 174 122.013 -3.336 -9.218 1.00 0.00 H new ATOM 0 HB3 SER A 174 120.377 -3.570 -8.634 1.00 0.00 H new ATOM 0 HG SER A 174 121.678 -5.491 -8.393 1.00 0.00 H new ATOM 2240 N MET A 175 118.272 -2.731 -10.581 1.00 0.00 N ATOM 2241 CA MET A 175 116.780 -2.857 -10.606 1.00 0.00 C ATOM 2242 C MET A 175 116.283 -3.066 -12.040 1.00 0.00 C ATOM 2243 O MET A 175 115.366 -3.827 -12.282 1.00 0.00 O ATOM 2244 CB MET A 175 116.256 -1.533 -10.047 1.00 0.00 C ATOM 2245 CG MET A 175 116.669 -1.398 -8.581 1.00 0.00 C ATOM 2246 SD MET A 175 116.058 0.174 -7.924 1.00 0.00 S ATOM 2247 CE MET A 175 116.714 -0.011 -6.248 1.00 0.00 C ATOM 0 H MET A 175 118.624 -1.799 -10.360 1.00 0.00 H new ATOM 0 HA MET A 175 116.434 -3.711 -10.024 1.00 0.00 H new ATOM 0 HB2 MET A 175 116.653 -0.699 -10.626 1.00 0.00 H new ATOM 0 HB3 MET A 175 115.170 -1.493 -10.135 1.00 0.00 H new ATOM 0 HG2 MET A 175 116.266 -2.228 -8.001 1.00 0.00 H new ATOM 0 HG3 MET A 175 117.754 -1.444 -8.492 1.00 0.00 H new ATOM 0 HE1 MET A 175 116.434 0.856 -5.650 1.00 0.00 H new ATOM 0 HE2 MET A 175 116.303 -0.913 -5.794 1.00 0.00 H new ATOM 0 HE3 MET A 175 117.800 -0.088 -6.289 1.00 0.00 H new ATOM 2257 N GLU A 176 116.878 -2.388 -12.991 1.00 0.00 N ATOM 2258 CA GLU A 176 116.436 -2.537 -14.415 1.00 0.00 C ATOM 2259 C GLU A 176 116.590 -3.989 -14.877 1.00 0.00 C ATOM 2260 O GLU A 176 115.747 -4.516 -15.579 1.00 0.00 O ATOM 2261 CB GLU A 176 117.361 -1.622 -15.223 1.00 0.00 C ATOM 2262 CG GLU A 176 117.029 -0.161 -14.916 1.00 0.00 C ATOM 2263 CD GLU A 176 117.964 0.752 -15.710 1.00 0.00 C ATOM 2264 OE1 GLU A 176 119.030 1.061 -15.203 1.00 0.00 O ATOM 2265 OE2 GLU A 176 117.600 1.127 -16.812 1.00 0.00 O ATOM 0 H GLU A 176 117.650 -1.738 -12.844 1.00 0.00 H new ATOM 0 HA GLU A 176 115.386 -2.273 -14.542 1.00 0.00 H new ATOM 0 HB2 GLU A 176 118.402 -1.829 -14.975 1.00 0.00 H new ATOM 0 HB3 GLU A 176 117.242 -1.817 -16.289 1.00 0.00 H new ATOM 0 HG2 GLU A 176 115.991 0.049 -15.175 1.00 0.00 H new ATOM 0 HG3 GLU A 176 117.136 0.031 -13.848 1.00 0.00 H new ATOM 2272 N THR A 177 117.659 -4.638 -14.488 1.00 0.00 N ATOM 2273 CA THR A 177 117.871 -6.061 -14.905 1.00 0.00 C ATOM 2274 C THR A 177 116.730 -6.939 -14.382 1.00 0.00 C ATOM 2275 O THR A 177 116.255 -7.827 -15.064 1.00 0.00 O ATOM 2276 CB THR A 177 119.203 -6.473 -14.271 1.00 0.00 C ATOM 2277 OG1 THR A 177 120.230 -5.603 -14.728 1.00 0.00 O ATOM 2278 CG2 THR A 177 119.541 -7.911 -14.668 1.00 0.00 C ATOM 0 H THR A 177 118.394 -4.246 -13.900 1.00 0.00 H new ATOM 0 HA THR A 177 117.889 -6.174 -15.989 1.00 0.00 H new ATOM 0 HB THR A 177 119.122 -6.409 -13.186 1.00 0.00 H new ATOM 0 HG1 THR A 177 121.083 -5.863 -14.323 1.00 0.00 H new ATOM 0 HG21 THR A 177 120.489 -8.200 -14.215 1.00 0.00 H new ATOM 0 HG22 THR A 177 118.754 -8.579 -14.320 1.00 0.00 H new ATOM 0 HG23 THR A 177 119.621 -7.980 -15.753 1.00 0.00 H new ATOM 2286 N THR A 178 116.292 -6.695 -13.173 1.00 0.00 N ATOM 2287 CA THR A 178 115.181 -7.511 -12.592 1.00 0.00 C ATOM 2288 C THR A 178 113.872 -7.236 -13.339 1.00 0.00 C ATOM 2289 O THR A 178 113.063 -8.123 -13.536 1.00 0.00 O ATOM 2290 CB THR A 178 115.066 -7.059 -11.135 1.00 0.00 C ATOM 2291 OG1 THR A 178 116.323 -7.222 -10.490 1.00 0.00 O ATOM 2292 CG2 THR A 178 114.011 -7.902 -10.419 1.00 0.00 C ATOM 0 H THR A 178 116.656 -5.964 -12.561 1.00 0.00 H new ATOM 0 HA THR A 178 115.377 -8.580 -12.672 1.00 0.00 H new ATOM 0 HB THR A 178 114.773 -6.010 -11.102 1.00 0.00 H new ATOM 0 HG1 THR A 178 116.866 -6.418 -10.625 1.00 0.00 H new ATOM 0 HG21 THR A 178 113.930 -7.579 -9.381 1.00 0.00 H new ATOM 0 HG22 THR A 178 113.048 -7.777 -10.914 1.00 0.00 H new ATOM 0 HG23 THR A 178 114.302 -8.952 -10.451 1.00 0.00 H new ATOM 2300 N MET A 179 113.659 -6.011 -13.749 1.00 0.00 N ATOM 2301 CA MET A 179 112.398 -5.667 -14.478 1.00 0.00 C ATOM 2302 C MET A 179 112.280 -6.489 -15.765 1.00 0.00 C ATOM 2303 O MET A 179 111.221 -6.984 -16.097 1.00 0.00 O ATOM 2304 CB MET A 179 112.518 -4.177 -14.805 1.00 0.00 C ATOM 2305 CG MET A 179 111.134 -3.616 -15.137 1.00 0.00 C ATOM 2306 SD MET A 179 111.291 -1.885 -15.642 1.00 0.00 S ATOM 2307 CE MET A 179 109.622 -1.361 -15.176 1.00 0.00 C ATOM 0 H MET A 179 114.304 -5.233 -13.611 1.00 0.00 H new ATOM 0 HA MET A 179 111.511 -5.885 -13.882 1.00 0.00 H new ATOM 0 HB2 MET A 179 112.946 -3.641 -13.958 1.00 0.00 H new ATOM 0 HB3 MET A 179 113.193 -4.032 -15.648 1.00 0.00 H new ATOM 0 HG2 MET A 179 110.675 -4.199 -15.936 1.00 0.00 H new ATOM 0 HG3 MET A 179 110.480 -3.695 -14.269 1.00 0.00 H new ATOM 0 HE1 MET A 179 109.496 -0.303 -15.405 1.00 0.00 H new ATOM 0 HE2 MET A 179 108.889 -1.943 -15.734 1.00 0.00 H new ATOM 0 HE3 MET A 179 109.475 -1.521 -14.108 1.00 0.00 H new ATOM 2317 N ARG A 180 113.363 -6.638 -16.488 1.00 0.00 N ATOM 2318 CA ARG A 180 113.317 -7.431 -17.757 1.00 0.00 C ATOM 2319 C ARG A 180 112.885 -8.872 -17.469 1.00 0.00 C ATOM 2320 O ARG A 180 112.124 -9.459 -18.215 1.00 0.00 O ATOM 2321 CB ARG A 180 114.744 -7.398 -18.310 1.00 0.00 C ATOM 2322 CG ARG A 180 115.068 -5.986 -18.802 1.00 0.00 C ATOM 2323 CD ARG A 180 116.413 -5.994 -19.535 1.00 0.00 C ATOM 2324 NE ARG A 180 116.565 -4.620 -20.096 1.00 0.00 N ATOM 2325 CZ ARG A 180 117.647 -4.301 -20.751 1.00 0.00 C ATOM 2326 NH1 ARG A 180 118.230 -3.154 -20.529 1.00 0.00 N ATOM 2327 NH2 ARG A 180 118.146 -5.126 -21.630 1.00 0.00 N ATOM 0 H ARG A 180 114.275 -6.246 -16.255 1.00 0.00 H new ATOM 0 HA ARG A 180 112.600 -7.021 -18.468 1.00 0.00 H new ATOM 0 HB2 ARG A 180 115.452 -7.697 -17.537 1.00 0.00 H new ATOM 0 HB3 ARG A 180 114.845 -8.112 -19.128 1.00 0.00 H new ATOM 0 HG2 ARG A 180 114.281 -5.633 -19.468 1.00 0.00 H new ATOM 0 HG3 ARG A 180 115.106 -5.296 -17.959 1.00 0.00 H new ATOM 0 HD2 ARG A 180 117.230 -6.233 -18.855 1.00 0.00 H new ATOM 0 HD3 ARG A 180 116.426 -6.745 -20.325 1.00 0.00 H new ATOM 0 HE ARG A 180 115.824 -3.931 -19.968 1.00 0.00 H new ATOM 0 HH11 ARG A 180 117.839 -2.508 -19.843 1.00 0.00 H new ATOM 0 HH12 ARG A 180 119.076 -2.904 -21.041 1.00 0.00 H new ATOM 0 HH21 ARG A 180 117.690 -6.021 -21.806 1.00 0.00 H new ATOM 0 HH22 ARG A 180 118.992 -4.876 -22.142 1.00 0.00 H new ATOM 2341 N ALA A 181 113.364 -9.441 -16.392 1.00 0.00 N ATOM 2342 CA ALA A 181 112.985 -10.844 -16.048 1.00 0.00 C ATOM 2343 C ALA A 181 111.577 -10.879 -15.449 1.00 0.00 C ATOM 2344 O ALA A 181 110.597 -10.634 -16.125 1.00 0.00 O ATOM 2345 CB ALA A 181 114.018 -11.299 -15.015 1.00 0.00 C ATOM 0 H ALA A 181 114.003 -8.993 -15.735 1.00 0.00 H new ATOM 0 HA ALA A 181 112.976 -11.493 -16.924 1.00 0.00 H new ATOM 0 HB1 ALA A 181 113.804 -12.324 -14.714 1.00 0.00 H new ATOM 0 HB2 ALA A 181 115.015 -11.250 -15.452 1.00 0.00 H new ATOM 0 HB3 ALA A 181 113.972 -10.647 -14.143 1.00 0.00 H new