USER MOD reduce.3.24.130724 H: found=0, std=0, add=1020, rem=0, adj=38 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 80 GLN : amide:sc= 0.606 K(o=1.5,f=-2.7!) USER MOD Set 1.2: A 178 THR OG1 : rot 115:sc= 0.933 USER MOD Set 2.1: A 97 CYS SG : rot 172:sc= 0.0265 USER MOD Set 2.2: A 99 CYS SG : rot -48:sc= 1.36 USER MOD Set 2.3: A 101 SER OG : rot 96:sc= 1.42 USER MOD Set 2.4: A 145 CYS SG : rot -142:sc= -0.972! USER MOD Set 3.1: A 95 THR OG1 : rot 175:sc= -1.42 USER MOD Set 3.2: A 149 HIS : no HD1:sc= -1.89 K(o=-3.3,f=-0.98) USER MOD Set 4.1: A 74 MET CE :methyl -138:sc= -4.79! (180deg=-12.8!) USER MOD Set 4.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 4.3: A 179 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.414 X(o=-0.41,f=-0.21) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 71:sc= 0.0755 USER MOD Single : A 40 THR OG1 : rot -34:sc= 0.57 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 18:sc= 0.431! USER MOD Single : A 46 THR OG1 : rot 130:sc= -0.295 USER MOD Single : A 47 CYS SG : rot 37:sc= 0.331 USER MOD Single : A 49 ASN : amide:sc= -0.0131 K(o=-0.013,f=-1.4!) USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 134:sc= -0.287 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HE2:sc= -5.7! C(o=-5.7!,f=-8.7!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0.0316 K(o=0.032,f=-3.3!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.254 USER MOD Single : A 77 ASN : amide:sc= -0.815 K(o=-0.81,f=-3.8!) USER MOD Single : A 86 GLN : amide:sc= -0.26 K(o=-0.26,f=-2.5!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot -59:sc= 0.246 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 130:sc= -1.09 USER MOD Single : A 110 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.38) USER MOD Single : A 122 SER OG : rot 180:sc= -0.0224 USER MOD Single : A 125 SER OG : rot -160:sc= -1.05 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 TYR OH : rot -175:sc= 0.306 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 SER OG : rot 90:sc= -0.692 USER MOD Single : A 139 SER OG : rot 180:sc= 0.0144 USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 159 CYS SG : rot 24:sc= -2.2! USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 174 SER OG : rot -170:sc= -1.1 USER MOD Single : A 175 MET CE :methyl -133:sc= -4.47! (180deg=-7.19!) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 149 N GLU A 32 110.257 10.114 0.117 1.00 0.00 N ATOM 150 CA GLU A 32 111.419 9.210 -0.175 1.00 0.00 C ATOM 151 C GLU A 32 111.170 7.795 0.378 1.00 0.00 C ATOM 152 O GLU A 32 110.720 6.920 -0.342 1.00 0.00 O ATOM 153 CB GLU A 32 112.636 9.865 0.491 1.00 0.00 C ATOM 154 CG GLU A 32 113.179 10.971 -0.417 1.00 0.00 C ATOM 155 CD GLU A 32 114.333 11.690 0.285 1.00 0.00 C ATOM 156 OE1 GLU A 32 114.070 12.675 0.955 1.00 0.00 O ATOM 157 OE2 GLU A 32 115.459 11.243 0.140 1.00 0.00 O ATOM 0 HA GLU A 32 111.574 9.090 -1.247 1.00 0.00 H new ATOM 0 HB2 GLU A 32 112.355 10.279 1.459 1.00 0.00 H new ATOM 0 HB3 GLU A 32 113.409 9.119 0.676 1.00 0.00 H new ATOM 0 HG2 GLU A 32 113.522 10.546 -1.360 1.00 0.00 H new ATOM 0 HG3 GLU A 32 112.387 11.680 -0.657 1.00 0.00 H new ATOM 164 N VAL A 33 111.459 7.558 1.636 1.00 0.00 N ATOM 165 CA VAL A 33 111.237 6.195 2.218 1.00 0.00 C ATOM 166 C VAL A 33 110.233 6.249 3.367 1.00 0.00 C ATOM 167 O VAL A 33 109.968 7.293 3.931 1.00 0.00 O ATOM 168 CB VAL A 33 112.600 5.729 2.747 1.00 0.00 C ATOM 169 CG1 VAL A 33 113.559 5.491 1.577 1.00 0.00 C ATOM 170 CG2 VAL A 33 113.185 6.785 3.695 1.00 0.00 C ATOM 0 H VAL A 33 111.838 8.248 2.284 1.00 0.00 H new ATOM 0 HA VAL A 33 110.835 5.515 1.466 1.00 0.00 H new ATOM 0 HB VAL A 33 112.467 4.796 3.295 1.00 0.00 H new ATOM 0 HG11 VAL A 33 114.525 5.160 1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 33 113.148 4.725 0.919 1.00 0.00 H new ATOM 0 HG13 VAL A 33 113.688 6.418 1.018 1.00 0.00 H new ATOM 0 HG21 VAL A 33 114.152 6.445 4.065 1.00 0.00 H new ATOM 0 HG22 VAL A 33 113.312 7.725 3.159 1.00 0.00 H new ATOM 0 HG23 VAL A 33 112.507 6.935 4.535 1.00 0.00 H new ATOM 180 N GLN A 34 109.687 5.117 3.717 1.00 0.00 N ATOM 181 CA GLN A 34 108.705 5.060 4.834 1.00 0.00 C ATOM 182 C GLN A 34 109.002 3.845 5.716 1.00 0.00 C ATOM 183 O GLN A 34 109.074 2.726 5.239 1.00 0.00 O ATOM 184 CB GLN A 34 107.341 4.918 4.158 1.00 0.00 C ATOM 185 CG GLN A 34 106.900 6.276 3.608 1.00 0.00 C ATOM 186 CD GLN A 34 106.571 7.215 4.771 1.00 0.00 C ATOM 187 OE1 GLN A 34 107.053 8.329 4.822 1.00 0.00 O ATOM 188 NE2 GLN A 34 105.762 6.811 5.713 1.00 0.00 N ATOM 0 H GLN A 34 109.882 4.220 3.271 1.00 0.00 H new ATOM 0 HA GLN A 34 108.745 5.941 5.474 1.00 0.00 H new ATOM 0 HB2 GLN A 34 107.398 4.188 3.351 1.00 0.00 H new ATOM 0 HB3 GLN A 34 106.606 4.547 4.872 1.00 0.00 H new ATOM 0 HG2 GLN A 34 107.691 6.705 2.993 1.00 0.00 H new ATOM 0 HG3 GLN A 34 106.027 6.155 2.967 1.00 0.00 H new ATOM 0 HE21 GLN A 34 105.357 5.876 5.671 1.00 0.00 H new ATOM 0 HE22 GLN A 34 105.535 7.431 6.491 1.00 0.00 H new ATOM 197 N VAL A 35 109.182 4.058 6.995 1.00 0.00 N ATOM 198 CA VAL A 35 109.480 2.917 7.913 1.00 0.00 C ATOM 199 C VAL A 35 108.213 2.086 8.143 1.00 0.00 C ATOM 200 O VAL A 35 107.240 2.564 8.695 1.00 0.00 O ATOM 201 CB VAL A 35 109.955 3.563 9.222 1.00 0.00 C ATOM 202 CG1 VAL A 35 111.223 4.380 8.953 1.00 0.00 C ATOM 203 CG2 VAL A 35 108.860 4.484 9.785 1.00 0.00 C ATOM 0 H VAL A 35 109.135 4.973 7.443 1.00 0.00 H new ATOM 0 HA VAL A 35 110.233 2.243 7.505 1.00 0.00 H new ATOM 0 HB VAL A 35 110.168 2.781 9.950 1.00 0.00 H new ATOM 0 HG11 VAL A 35 111.563 4.840 9.881 1.00 0.00 H new ATOM 0 HG12 VAL A 35 112.003 3.724 8.566 1.00 0.00 H new ATOM 0 HG13 VAL A 35 111.006 5.158 8.221 1.00 0.00 H new ATOM 0 HG21 VAL A 35 109.207 4.937 10.714 1.00 0.00 H new ATOM 0 HG22 VAL A 35 108.636 5.267 9.061 1.00 0.00 H new ATOM 0 HG23 VAL A 35 107.960 3.902 9.980 1.00 0.00 H new ATOM 213 N VAL A 36 108.220 0.845 7.725 1.00 0.00 N ATOM 214 CA VAL A 36 107.018 -0.021 7.917 1.00 0.00 C ATOM 215 C VAL A 36 107.313 -1.111 8.949 1.00 0.00 C ATOM 216 O VAL A 36 108.445 -1.525 9.122 1.00 0.00 O ATOM 217 CB VAL A 36 106.730 -0.636 6.542 1.00 0.00 C ATOM 218 CG1 VAL A 36 106.400 0.476 5.548 1.00 0.00 C ATOM 219 CG2 VAL A 36 107.956 -1.409 6.042 1.00 0.00 C ATOM 0 H VAL A 36 109.007 0.394 7.259 1.00 0.00 H new ATOM 0 HA VAL A 36 106.162 0.543 8.287 1.00 0.00 H new ATOM 0 HB VAL A 36 105.886 -1.320 6.630 1.00 0.00 H new ATOM 0 HG11 VAL A 36 106.195 0.041 4.570 1.00 0.00 H new ATOM 0 HG12 VAL A 36 105.523 1.024 5.893 1.00 0.00 H new ATOM 0 HG13 VAL A 36 107.247 1.158 5.471 1.00 0.00 H new ATOM 0 HG21 VAL A 36 107.740 -1.841 5.065 1.00 0.00 H new ATOM 0 HG22 VAL A 36 108.805 -0.730 5.959 1.00 0.00 H new ATOM 0 HG23 VAL A 36 108.196 -2.206 6.746 1.00 0.00 H new ATOM 229 N SER A 37 106.301 -1.574 9.638 1.00 0.00 N ATOM 230 CA SER A 37 106.512 -2.633 10.667 1.00 0.00 C ATOM 231 C SER A 37 105.785 -3.917 10.266 1.00 0.00 C ATOM 232 O SER A 37 104.594 -3.919 10.018 1.00 0.00 O ATOM 233 CB SER A 37 105.916 -2.060 11.951 1.00 0.00 C ATOM 234 OG SER A 37 106.806 -1.091 12.490 1.00 0.00 O ATOM 0 H SER A 37 105.336 -1.262 9.531 1.00 0.00 H new ATOM 0 HA SER A 37 107.565 -2.890 10.783 1.00 0.00 H new ATOM 0 HB2 SER A 37 104.947 -1.606 11.745 1.00 0.00 H new ATOM 0 HB3 SER A 37 105.747 -2.857 12.675 1.00 0.00 H new ATOM 0 HG SER A 37 106.426 -0.720 13.313 1.00 0.00 H new ATOM 240 N THR A 38 106.499 -5.010 10.210 1.00 0.00 N ATOM 241 CA THR A 38 105.871 -6.311 9.835 1.00 0.00 C ATOM 242 C THR A 38 105.526 -7.093 11.097 1.00 0.00 C ATOM 243 O THR A 38 105.573 -6.566 12.193 1.00 0.00 O ATOM 244 CB THR A 38 106.914 -7.069 8.994 1.00 0.00 C ATOM 245 OG1 THR A 38 107.857 -6.159 8.438 1.00 0.00 O ATOM 246 CG2 THR A 38 106.209 -7.815 7.859 1.00 0.00 C ATOM 0 H THR A 38 107.498 -5.058 10.410 1.00 0.00 H new ATOM 0 HA THR A 38 104.949 -6.170 9.271 1.00 0.00 H new ATOM 0 HB THR A 38 107.437 -7.777 9.638 1.00 0.00 H new ATOM 0 HG1 THR A 38 108.431 -5.807 9.150 1.00 0.00 H new ATOM 0 HG21 THR A 38 106.947 -8.352 7.263 1.00 0.00 H new ATOM 0 HG22 THR A 38 105.495 -8.524 8.278 1.00 0.00 H new ATOM 0 HG23 THR A 38 105.682 -7.101 7.226 1.00 0.00 H new ATOM 254 N ALA A 39 105.161 -8.339 10.952 1.00 0.00 N ATOM 255 CA ALA A 39 104.791 -9.152 12.145 1.00 0.00 C ATOM 256 C ALA A 39 105.959 -9.230 13.138 1.00 0.00 C ATOM 257 O ALA A 39 105.796 -8.965 14.315 1.00 0.00 O ATOM 258 CB ALA A 39 104.458 -10.543 11.602 1.00 0.00 C ATOM 0 H ALA A 39 105.103 -8.828 10.059 1.00 0.00 H new ATOM 0 HA ALA A 39 103.952 -8.713 12.684 1.00 0.00 H new ATOM 0 HB1 ALA A 39 104.176 -11.198 12.427 1.00 0.00 H new ATOM 0 HB2 ALA A 39 103.630 -10.470 10.897 1.00 0.00 H new ATOM 0 HB3 ALA A 39 105.331 -10.954 11.095 1.00 0.00 H new ATOM 264 N THR A 40 107.130 -9.596 12.676 1.00 0.00 N ATOM 265 CA THR A 40 108.304 -9.695 13.601 1.00 0.00 C ATOM 266 C THR A 40 109.513 -8.899 13.078 1.00 0.00 C ATOM 267 O THR A 40 110.560 -8.888 13.700 1.00 0.00 O ATOM 268 CB THR A 40 108.635 -11.191 13.665 1.00 0.00 C ATOM 269 OG1 THR A 40 109.758 -11.386 14.514 1.00 0.00 O ATOM 270 CG2 THR A 40 108.954 -11.722 12.265 1.00 0.00 C ATOM 0 H THR A 40 107.324 -9.830 11.702 1.00 0.00 H new ATOM 0 HA THR A 40 108.071 -9.276 14.580 1.00 0.00 H new ATOM 0 HB THR A 40 107.775 -11.731 14.060 1.00 0.00 H new ATOM 0 HG1 THR A 40 110.371 -10.627 14.425 1.00 0.00 H new ATOM 0 HG21 THR A 40 109.187 -12.785 12.324 1.00 0.00 H new ATOM 0 HG22 THR A 40 108.092 -11.575 11.615 1.00 0.00 H new ATOM 0 HG23 THR A 40 109.811 -11.184 11.858 1.00 0.00 H new ATOM 278 N GLN A 41 109.389 -8.237 11.950 1.00 0.00 N ATOM 279 CA GLN A 41 110.545 -7.455 11.409 1.00 0.00 C ATOM 280 C GLN A 41 110.064 -6.130 10.814 1.00 0.00 C ATOM 281 O GLN A 41 108.881 -5.896 10.679 1.00 0.00 O ATOM 282 CB GLN A 41 111.153 -8.343 10.323 1.00 0.00 C ATOM 283 CG GLN A 41 111.833 -9.548 10.976 1.00 0.00 C ATOM 284 CD GLN A 41 112.656 -10.302 9.930 1.00 0.00 C ATOM 285 OE1 GLN A 41 112.109 -10.914 9.034 1.00 0.00 O ATOM 286 NE2 GLN A 41 113.958 -10.285 10.007 1.00 0.00 N ATOM 0 H GLN A 41 108.541 -8.205 11.384 1.00 0.00 H new ATOM 0 HA GLN A 41 111.269 -7.206 12.184 1.00 0.00 H new ATOM 0 HB2 GLN A 41 110.377 -8.678 9.635 1.00 0.00 H new ATOM 0 HB3 GLN A 41 111.876 -7.776 9.737 1.00 0.00 H new ATOM 0 HG2 GLN A 41 112.477 -9.217 11.791 1.00 0.00 H new ATOM 0 HG3 GLN A 41 111.084 -10.210 11.410 1.00 0.00 H new ATOM 0 HE21 GLN A 41 114.418 -9.771 10.759 1.00 0.00 H new ATOM 0 HE22 GLN A 41 114.516 -10.785 9.315 1.00 0.00 H new ATOM 295 N SER A 42 110.981 -5.262 10.461 1.00 0.00 N ATOM 296 CA SER A 42 110.586 -3.946 9.872 1.00 0.00 C ATOM 297 C SER A 42 111.610 -3.510 8.820 1.00 0.00 C ATOM 298 O SER A 42 112.804 -3.531 9.055 1.00 0.00 O ATOM 299 CB SER A 42 110.576 -2.972 11.048 1.00 0.00 C ATOM 300 OG SER A 42 111.910 -2.736 11.477 1.00 0.00 O ATOM 0 H SER A 42 111.986 -5.409 10.556 1.00 0.00 H new ATOM 0 HA SER A 42 109.618 -3.990 9.373 1.00 0.00 H new ATOM 0 HB2 SER A 42 110.106 -2.034 10.753 1.00 0.00 H new ATOM 0 HB3 SER A 42 109.986 -3.381 11.868 1.00 0.00 H new ATOM 0 HG SER A 42 112.534 -3.014 10.774 1.00 0.00 H new ATOM 306 N PHE A 43 111.147 -3.112 7.661 1.00 0.00 N ATOM 307 CA PHE A 43 112.085 -2.668 6.579 1.00 0.00 C ATOM 308 C PHE A 43 111.641 -1.315 6.012 1.00 0.00 C ATOM 309 O PHE A 43 110.708 -0.704 6.499 1.00 0.00 O ATOM 310 CB PHE A 43 112.046 -3.754 5.486 1.00 0.00 C ATOM 311 CG PHE A 43 110.622 -4.182 5.188 1.00 0.00 C ATOM 312 CD1 PHE A 43 110.036 -5.208 5.938 1.00 0.00 C ATOM 313 CD2 PHE A 43 109.897 -3.564 4.162 1.00 0.00 C ATOM 314 CE1 PHE A 43 108.731 -5.616 5.669 1.00 0.00 C ATOM 315 CE2 PHE A 43 108.585 -3.974 3.892 1.00 0.00 C ATOM 316 CZ PHE A 43 108.004 -5.001 4.648 1.00 0.00 C ATOM 0 H PHE A 43 110.158 -3.075 7.415 1.00 0.00 H new ATOM 0 HA PHE A 43 113.097 -2.541 6.963 1.00 0.00 H new ATOM 0 HB2 PHE A 43 112.512 -3.375 4.577 1.00 0.00 H new ATOM 0 HB3 PHE A 43 112.628 -4.618 5.807 1.00 0.00 H new ATOM 0 HD1 PHE A 43 110.597 -5.685 6.728 1.00 0.00 H new ATOM 0 HD2 PHE A 43 110.348 -2.774 3.580 1.00 0.00 H new ATOM 0 HE1 PHE A 43 108.282 -6.408 6.250 1.00 0.00 H new ATOM 0 HE2 PHE A 43 108.022 -3.499 3.102 1.00 0.00 H new ATOM 0 HZ PHE A 43 106.992 -5.317 4.441 1.00 0.00 H new ATOM 326 N LEU A 44 112.311 -0.840 4.991 1.00 0.00 N ATOM 327 CA LEU A 44 111.946 0.478 4.389 1.00 0.00 C ATOM 328 C LEU A 44 111.550 0.309 2.921 1.00 0.00 C ATOM 329 O LEU A 44 111.904 -0.663 2.280 1.00 0.00 O ATOM 330 CB LEU A 44 113.218 1.324 4.499 1.00 0.00 C ATOM 331 CG LEU A 44 113.173 2.167 5.785 1.00 0.00 C ATOM 332 CD1 LEU A 44 114.451 1.947 6.594 1.00 0.00 C ATOM 333 CD2 LEU A 44 113.059 3.652 5.430 1.00 0.00 C ATOM 0 H LEU A 44 113.099 -1.312 4.547 1.00 0.00 H new ATOM 0 HA LEU A 44 111.096 0.937 4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 44 114.096 0.678 4.507 1.00 0.00 H new ATOM 0 HB3 LEU A 44 113.309 1.975 3.629 1.00 0.00 H new ATOM 0 HG LEU A 44 112.308 1.863 6.374 1.00 0.00 H new ATOM 0 HD11 LEU A 44 114.414 2.546 7.504 1.00 0.00 H new ATOM 0 HD12 LEU A 44 114.538 0.893 6.857 1.00 0.00 H new ATOM 0 HD13 LEU A 44 115.314 2.245 5.999 1.00 0.00 H new ATOM 0 HD21 LEU A 44 113.028 4.243 6.345 1.00 0.00 H new ATOM 0 HD22 LEU A 44 113.921 3.951 4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 44 112.147 3.820 4.858 1.00 0.00 H new ATOM 345 N ALA A 45 110.820 1.255 2.386 1.00 0.00 N ATOM 346 CA ALA A 45 110.398 1.167 0.954 1.00 0.00 C ATOM 347 C ALA A 45 110.795 2.446 0.211 1.00 0.00 C ATOM 348 O ALA A 45 110.364 3.531 0.554 1.00 0.00 O ATOM 349 CB ALA A 45 108.878 1.017 0.997 1.00 0.00 C ATOM 0 H ALA A 45 110.497 2.087 2.880 1.00 0.00 H new ATOM 0 HA ALA A 45 110.871 0.336 0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 45 108.491 0.946 -0.019 1.00 0.00 H new ATOM 0 HB2 ALA A 45 108.617 0.114 1.549 1.00 0.00 H new ATOM 0 HB3 ALA A 45 108.441 1.884 1.492 1.00 0.00 H new ATOM 355 N THR A 46 111.617 2.325 -0.803 1.00 0.00 N ATOM 356 CA THR A 46 112.053 3.529 -1.573 1.00 0.00 C ATOM 357 C THR A 46 111.280 3.632 -2.890 1.00 0.00 C ATOM 358 O THR A 46 110.983 2.635 -3.521 1.00 0.00 O ATOM 359 CB THR A 46 113.540 3.304 -1.853 1.00 0.00 C ATOM 360 OG1 THR A 46 113.731 1.988 -2.354 1.00 0.00 O ATOM 361 CG2 THR A 46 114.341 3.482 -0.565 1.00 0.00 C ATOM 0 H THR A 46 112.005 1.441 -1.131 1.00 0.00 H new ATOM 0 HA THR A 46 111.870 4.452 -1.023 1.00 0.00 H new ATOM 0 HB THR A 46 113.883 4.029 -2.591 1.00 0.00 H new ATOM 0 HG1 THR A 46 114.269 2.024 -3.172 1.00 0.00 H new ATOM 0 HG21 THR A 46 115.399 3.321 -0.770 1.00 0.00 H new ATOM 0 HG22 THR A 46 114.195 4.492 -0.182 1.00 0.00 H new ATOM 0 HG23 THR A 46 114.001 2.760 0.178 1.00 0.00 H new ATOM 369 N CYS A 47 110.966 4.831 -3.315 1.00 0.00 N ATOM 370 CA CYS A 47 110.220 4.998 -4.604 1.00 0.00 C ATOM 371 C CYS A 47 111.186 5.395 -5.729 1.00 0.00 C ATOM 372 O CYS A 47 111.724 6.486 -5.754 1.00 0.00 O ATOM 373 CB CYS A 47 109.161 6.088 -4.350 1.00 0.00 C ATOM 374 SG CYS A 47 109.933 7.644 -3.823 1.00 0.00 S ATOM 0 H CYS A 47 111.192 5.699 -2.829 1.00 0.00 H new ATOM 0 HA CYS A 47 109.743 4.071 -4.921 1.00 0.00 H new ATOM 0 HB2 CYS A 47 108.583 6.256 -5.259 1.00 0.00 H new ATOM 0 HB3 CYS A 47 108.462 5.749 -3.585 1.00 0.00 H new ATOM 0 HG CYS A 47 111.051 7.813 -4.465 1.00 0.00 H new ATOM 380 N VAL A 48 111.419 4.502 -6.660 1.00 0.00 N ATOM 381 CA VAL A 48 112.355 4.809 -7.784 1.00 0.00 C ATOM 382 C VAL A 48 111.700 4.468 -9.129 1.00 0.00 C ATOM 383 O VAL A 48 111.180 3.387 -9.321 1.00 0.00 O ATOM 384 CB VAL A 48 113.580 3.919 -7.537 1.00 0.00 C ATOM 385 CG1 VAL A 48 114.618 4.148 -8.638 1.00 0.00 C ATOM 386 CG2 VAL A 48 114.200 4.264 -6.180 1.00 0.00 C ATOM 0 H VAL A 48 111.000 3.572 -6.689 1.00 0.00 H new ATOM 0 HA VAL A 48 112.622 5.865 -7.822 1.00 0.00 H new ATOM 0 HB VAL A 48 113.269 2.874 -7.543 1.00 0.00 H new ATOM 0 HG11 VAL A 48 115.486 3.514 -8.458 1.00 0.00 H new ATOM 0 HG12 VAL A 48 114.182 3.900 -9.606 1.00 0.00 H new ATOM 0 HG13 VAL A 48 114.926 5.194 -8.636 1.00 0.00 H new ATOM 0 HG21 VAL A 48 115.070 3.631 -6.006 1.00 0.00 H new ATOM 0 HG22 VAL A 48 114.506 5.310 -6.175 1.00 0.00 H new ATOM 0 HG23 VAL A 48 113.466 4.097 -5.392 1.00 0.00 H new ATOM 396 N ASN A 49 111.731 5.388 -10.065 1.00 0.00 N ATOM 397 CA ASN A 49 111.123 5.137 -11.415 1.00 0.00 C ATOM 398 C ASN A 49 109.670 4.661 -11.287 1.00 0.00 C ATOM 399 O ASN A 49 109.227 3.795 -12.017 1.00 0.00 O ATOM 400 CB ASN A 49 111.988 4.045 -12.054 1.00 0.00 C ATOM 401 CG ASN A 49 113.363 4.618 -12.401 1.00 0.00 C ATOM 402 OD1 ASN A 49 113.507 5.808 -12.602 1.00 0.00 O ATOM 403 ND2 ASN A 49 114.390 3.814 -12.482 1.00 0.00 N ATOM 0 H ASN A 49 112.154 6.309 -9.952 1.00 0.00 H new ATOM 0 HA ASN A 49 111.099 6.046 -12.016 1.00 0.00 H new ATOM 0 HB2 ASN A 49 112.095 3.204 -11.369 1.00 0.00 H new ATOM 0 HB3 ASN A 49 111.504 3.663 -12.953 1.00 0.00 H new ATOM 0 HD21 ASN A 49 115.311 4.185 -12.714 1.00 0.00 H new ATOM 0 HD22 ASN A 49 114.270 2.815 -12.313 1.00 0.00 H new ATOM 410 N GLY A 50 108.928 5.227 -10.369 1.00 0.00 N ATOM 411 CA GLY A 50 107.502 4.817 -10.193 1.00 0.00 C ATOM 412 C GLY A 50 107.433 3.364 -9.714 1.00 0.00 C ATOM 413 O GLY A 50 106.444 2.684 -9.920 1.00 0.00 O ATOM 0 H GLY A 50 109.249 5.957 -9.733 1.00 0.00 H new ATOM 0 HA2 GLY A 50 107.013 5.471 -9.471 1.00 0.00 H new ATOM 0 HA3 GLY A 50 106.965 4.924 -11.135 1.00 0.00 H new ATOM 417 N VAL A 51 108.470 2.883 -9.075 1.00 0.00 N ATOM 418 CA VAL A 51 108.466 1.474 -8.577 1.00 0.00 C ATOM 419 C VAL A 51 109.007 1.432 -7.145 1.00 0.00 C ATOM 420 O VAL A 51 110.117 1.857 -6.883 1.00 0.00 O ATOM 421 CB VAL A 51 109.390 0.707 -9.529 1.00 0.00 C ATOM 422 CG1 VAL A 51 109.456 -0.765 -9.110 1.00 0.00 C ATOM 423 CG2 VAL A 51 108.847 0.799 -10.958 1.00 0.00 C ATOM 0 H VAL A 51 109.322 3.408 -8.876 1.00 0.00 H new ATOM 0 HA VAL A 51 107.466 1.041 -8.557 1.00 0.00 H new ATOM 0 HB VAL A 51 110.388 1.144 -9.487 1.00 0.00 H new ATOM 0 HG11 VAL A 51 110.114 -1.307 -9.789 1.00 0.00 H new ATOM 0 HG12 VAL A 51 109.844 -0.837 -8.094 1.00 0.00 H new ATOM 0 HG13 VAL A 51 108.457 -1.199 -9.148 1.00 0.00 H new ATOM 0 HG21 VAL A 51 109.506 0.253 -11.633 1.00 0.00 H new ATOM 0 HG22 VAL A 51 107.848 0.365 -10.996 1.00 0.00 H new ATOM 0 HG23 VAL A 51 108.801 1.844 -11.263 1.00 0.00 H new ATOM 433 N CYS A 52 108.235 0.918 -6.222 1.00 0.00 N ATOM 434 CA CYS A 52 108.706 0.845 -4.806 1.00 0.00 C ATOM 435 C CYS A 52 109.654 -0.345 -4.636 1.00 0.00 C ATOM 436 O CYS A 52 109.244 -1.487 -4.720 1.00 0.00 O ATOM 437 CB CYS A 52 107.438 0.649 -3.972 1.00 0.00 C ATOM 438 SG CYS A 52 106.544 2.219 -3.857 1.00 0.00 S ATOM 0 H CYS A 52 107.300 0.546 -6.387 1.00 0.00 H new ATOM 0 HA CYS A 52 109.253 1.738 -4.502 1.00 0.00 H new ATOM 0 HB2 CYS A 52 106.803 -0.111 -4.428 1.00 0.00 H new ATOM 0 HB3 CYS A 52 107.697 0.292 -2.975 1.00 0.00 H new ATOM 0 HG CYS A 52 105.465 2.053 -3.151 1.00 0.00 H new ATOM 444 N TRP A 53 110.917 -0.086 -4.406 1.00 0.00 N ATOM 445 CA TRP A 53 111.893 -1.205 -4.241 1.00 0.00 C ATOM 446 C TRP A 53 112.155 -1.484 -2.760 1.00 0.00 C ATOM 447 O TRP A 53 112.333 -0.581 -1.966 1.00 0.00 O ATOM 448 CB TRP A 53 113.171 -0.716 -4.924 1.00 0.00 C ATOM 449 CG TRP A 53 113.100 -1.019 -6.386 1.00 0.00 C ATOM 450 CD1 TRP A 53 112.942 -0.098 -7.363 1.00 0.00 C ATOM 451 CD2 TRP A 53 113.180 -2.312 -7.054 1.00 0.00 C ATOM 452 NE1 TRP A 53 112.918 -0.741 -8.588 1.00 0.00 N ATOM 453 CE2 TRP A 53 113.061 -2.107 -8.449 1.00 0.00 C ATOM 454 CE3 TRP A 53 113.341 -3.630 -6.589 1.00 0.00 C ATOM 455 CZ2 TRP A 53 113.102 -3.170 -9.352 1.00 0.00 C ATOM 456 CZ3 TRP A 53 113.382 -4.703 -7.495 1.00 0.00 C ATOM 457 CH2 TRP A 53 113.263 -4.473 -8.873 1.00 0.00 C ATOM 0 H TRP A 53 111.313 0.850 -4.326 1.00 0.00 H new ATOM 0 HA TRP A 53 111.522 -2.135 -4.672 1.00 0.00 H new ATOM 0 HB2 TRP A 53 113.292 0.356 -4.769 1.00 0.00 H new ATOM 0 HB3 TRP A 53 114.041 -1.202 -4.483 1.00 0.00 H new ATOM 0 HD1 TRP A 53 112.849 0.967 -7.212 1.00 0.00 H new ATOM 0 HE1 TRP A 53 112.808 -0.265 -9.483 1.00 0.00 H new ATOM 0 HE3 TRP A 53 113.434 -3.818 -5.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 113.010 -2.987 -10.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 113.506 -5.711 -7.128 1.00 0.00 H new ATOM 0 HH2 TRP A 53 113.296 -5.302 -9.564 1.00 0.00 H new ATOM 468 N THR A 54 112.193 -2.738 -2.394 1.00 0.00 N ATOM 469 CA THR A 54 112.457 -3.111 -0.974 1.00 0.00 C ATOM 470 C THR A 54 113.431 -4.291 -0.927 1.00 0.00 C ATOM 471 O THR A 54 113.860 -4.787 -1.952 1.00 0.00 O ATOM 472 CB THR A 54 111.094 -3.502 -0.390 1.00 0.00 C ATOM 473 OG1 THR A 54 111.262 -3.923 0.956 1.00 0.00 O ATOM 474 CG2 THR A 54 110.477 -4.643 -1.206 1.00 0.00 C ATOM 0 H THR A 54 112.051 -3.527 -3.025 1.00 0.00 H new ATOM 0 HA THR A 54 112.908 -2.297 -0.407 1.00 0.00 H new ATOM 0 HB THR A 54 110.430 -2.638 -0.428 1.00 0.00 H new ATOM 0 HG1 THR A 54 110.582 -3.498 1.519 1.00 0.00 H new ATOM 0 HG21 THR A 54 109.510 -4.912 -0.782 1.00 0.00 H new ATOM 0 HG22 THR A 54 110.344 -4.321 -2.239 1.00 0.00 H new ATOM 0 HG23 THR A 54 111.138 -5.509 -1.179 1.00 0.00 H new ATOM 482 N VAL A 55 113.774 -4.750 0.250 1.00 0.00 N ATOM 483 CA VAL A 55 114.711 -5.908 0.355 1.00 0.00 C ATOM 484 C VAL A 55 113.918 -7.215 0.249 1.00 0.00 C ATOM 485 O VAL A 55 112.818 -7.323 0.759 1.00 0.00 O ATOM 486 CB VAL A 55 115.362 -5.763 1.734 1.00 0.00 C ATOM 487 CG1 VAL A 55 116.339 -6.916 1.971 1.00 0.00 C ATOM 488 CG2 VAL A 55 116.118 -4.427 1.806 1.00 0.00 C ATOM 0 H VAL A 55 113.447 -4.374 1.140 1.00 0.00 H new ATOM 0 HA VAL A 55 115.460 -5.926 -0.437 1.00 0.00 H new ATOM 0 HB VAL A 55 114.587 -5.786 2.501 1.00 0.00 H new ATOM 0 HG11 VAL A 55 116.799 -6.807 2.953 1.00 0.00 H new ATOM 0 HG12 VAL A 55 115.802 -7.863 1.925 1.00 0.00 H new ATOM 0 HG13 VAL A 55 117.113 -6.900 1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 55 116.581 -4.324 2.787 1.00 0.00 H new ATOM 0 HG22 VAL A 55 116.889 -4.403 1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 55 115.420 -3.605 1.646 1.00 0.00 H new ATOM 498 N TYR A 56 114.463 -8.202 -0.417 1.00 0.00 N ATOM 499 CA TYR A 56 113.735 -9.497 -0.569 1.00 0.00 C ATOM 500 C TYR A 56 113.975 -10.421 0.639 1.00 0.00 C ATOM 501 O TYR A 56 113.057 -11.062 1.118 1.00 0.00 O ATOM 502 CB TYR A 56 114.301 -10.108 -1.870 1.00 0.00 C ATOM 503 CG TYR A 56 113.896 -11.565 -1.988 1.00 0.00 C ATOM 504 CD1 TYR A 56 112.771 -11.932 -2.734 1.00 0.00 C ATOM 505 CD2 TYR A 56 114.645 -12.541 -1.322 1.00 0.00 C ATOM 506 CE1 TYR A 56 112.397 -13.281 -2.810 1.00 0.00 C ATOM 507 CE2 TYR A 56 114.276 -13.884 -1.400 1.00 0.00 C ATOM 508 CZ TYR A 56 113.151 -14.256 -2.144 1.00 0.00 C ATOM 509 OH TYR A 56 112.782 -15.584 -2.220 1.00 0.00 O ATOM 0 H TYR A 56 115.380 -8.166 -0.862 1.00 0.00 H new ATOM 0 HA TYR A 56 112.655 -9.360 -0.616 1.00 0.00 H new ATOM 0 HB2 TYR A 56 113.933 -9.551 -2.731 1.00 0.00 H new ATOM 0 HB3 TYR A 56 115.388 -10.024 -1.876 1.00 0.00 H new ATOM 0 HD1 TYR A 56 112.193 -11.179 -3.249 1.00 0.00 H new ATOM 0 HD2 TYR A 56 115.512 -12.254 -0.745 1.00 0.00 H new ATOM 0 HE1 TYR A 56 111.527 -13.569 -3.382 1.00 0.00 H new ATOM 0 HE2 TYR A 56 114.858 -14.635 -0.887 1.00 0.00 H new ATOM 0 HH TYR A 56 113.411 -16.129 -1.703 1.00 0.00 H new ATOM 519 N HIS A 57 115.194 -10.525 1.106 1.00 0.00 N ATOM 520 CA HIS A 57 115.471 -11.448 2.251 1.00 0.00 C ATOM 521 C HIS A 57 114.669 -11.048 3.502 1.00 0.00 C ATOM 522 O HIS A 57 114.514 -11.832 4.419 1.00 0.00 O ATOM 523 CB HIS A 57 116.991 -11.375 2.479 1.00 0.00 C ATOM 524 CG HIS A 57 117.415 -10.083 3.138 1.00 0.00 C ATOM 525 ND1 HIS A 57 118.396 -9.255 2.583 1.00 0.00 N ATOM 526 CD2 HIS A 57 117.050 -9.491 4.325 1.00 0.00 C ATOM 527 CE1 HIS A 57 118.587 -8.223 3.430 1.00 0.00 C ATOM 528 NE2 HIS A 57 117.792 -8.338 4.483 1.00 0.00 N ATOM 0 H HIS A 57 116.003 -10.016 0.749 1.00 0.00 H new ATOM 0 HA HIS A 57 115.160 -12.470 2.034 1.00 0.00 H new ATOM 0 HB2 HIS A 57 117.303 -12.215 3.099 1.00 0.00 H new ATOM 0 HB3 HIS A 57 117.504 -11.477 1.523 1.00 0.00 H new ATOM 0 HD1 HIS A 57 118.880 -9.405 1.698 1.00 0.00 H new ATOM 0 HD2 HIS A 57 116.309 -9.865 5.016 1.00 0.00 H new ATOM 0 HE1 HIS A 57 119.289 -7.417 3.272 1.00 0.00 H new ATOM 536 N GLY A 58 114.164 -9.838 3.547 1.00 0.00 N ATOM 537 CA GLY A 58 113.383 -9.395 4.740 1.00 0.00 C ATOM 538 C GLY A 58 111.884 -9.417 4.424 1.00 0.00 C ATOM 539 O GLY A 58 111.123 -10.133 5.047 1.00 0.00 O ATOM 0 H GLY A 58 114.260 -9.141 2.809 1.00 0.00 H new ATOM 0 HA2 GLY A 58 113.594 -10.049 5.586 1.00 0.00 H new ATOM 0 HA3 GLY A 58 113.687 -8.389 5.031 1.00 0.00 H new ATOM 543 N ALA A 59 111.456 -8.628 3.471 1.00 0.00 N ATOM 544 CA ALA A 59 110.002 -8.588 3.119 1.00 0.00 C ATOM 545 C ALA A 59 109.698 -9.510 1.930 1.00 0.00 C ATOM 546 O ALA A 59 108.577 -9.945 1.749 1.00 0.00 O ATOM 547 CB ALA A 59 109.730 -7.131 2.746 1.00 0.00 C ATOM 0 H ALA A 59 112.051 -8.009 2.920 1.00 0.00 H new ATOM 0 HA ALA A 59 109.376 -8.931 3.943 1.00 0.00 H new ATOM 0 HB1 ALA A 59 108.681 -7.015 2.474 1.00 0.00 H new ATOM 0 HB2 ALA A 59 109.957 -6.489 3.597 1.00 0.00 H new ATOM 0 HB3 ALA A 59 110.358 -6.848 1.901 1.00 0.00 H new ATOM 553 N GLY A 60 110.683 -9.801 1.117 1.00 0.00 N ATOM 554 CA GLY A 60 110.450 -10.685 -0.067 1.00 0.00 C ATOM 555 C GLY A 60 109.951 -12.059 0.389 1.00 0.00 C ATOM 556 O GLY A 60 109.082 -12.646 -0.228 1.00 0.00 O ATOM 0 H GLY A 60 111.640 -9.464 1.222 1.00 0.00 H new ATOM 0 HA2 GLY A 60 109.719 -10.227 -0.733 1.00 0.00 H new ATOM 0 HA3 GLY A 60 111.374 -10.796 -0.635 1.00 0.00 H new ATOM 719 N THR A 72 99.715 -8.068 -4.770 1.00 0.00 N ATOM 720 CA THR A 72 100.339 -9.189 -5.540 1.00 0.00 C ATOM 721 C THR A 72 101.829 -8.910 -5.766 1.00 0.00 C ATOM 722 O THR A 72 102.250 -7.772 -5.851 1.00 0.00 O ATOM 723 CB THR A 72 99.585 -9.239 -6.877 1.00 0.00 C ATOM 724 OG1 THR A 72 100.145 -10.260 -7.691 1.00 0.00 O ATOM 725 CG2 THR A 72 99.697 -7.893 -7.600 1.00 0.00 C ATOM 0 HA THR A 72 100.271 -10.138 -5.008 1.00 0.00 H new ATOM 0 HB THR A 72 98.533 -9.450 -6.686 1.00 0.00 H new ATOM 0 HG1 THR A 72 99.666 -10.297 -8.545 1.00 0.00 H new ATOM 0 HG21 THR A 72 99.158 -7.942 -8.546 1.00 0.00 H new ATOM 0 HG22 THR A 72 99.266 -7.109 -6.978 1.00 0.00 H new ATOM 0 HG23 THR A 72 100.746 -7.669 -7.791 1.00 0.00 H new ATOM 733 N GLN A 73 102.626 -9.943 -5.860 1.00 0.00 N ATOM 734 CA GLN A 73 104.092 -9.750 -6.078 1.00 0.00 C ATOM 735 C GLN A 73 104.417 -9.822 -7.573 1.00 0.00 C ATOM 736 O GLN A 73 103.999 -10.734 -8.262 1.00 0.00 O ATOM 737 CB GLN A 73 104.763 -10.905 -5.329 1.00 0.00 C ATOM 738 CG GLN A 73 104.406 -10.832 -3.841 1.00 0.00 C ATOM 739 CD GLN A 73 105.102 -9.626 -3.207 1.00 0.00 C ATOM 740 OE1 GLN A 73 106.242 -9.338 -3.510 1.00 0.00 O ATOM 741 NE2 GLN A 73 104.457 -8.904 -2.331 1.00 0.00 N ATOM 0 H GLN A 73 102.324 -10.915 -5.795 1.00 0.00 H new ATOM 0 HA GLN A 73 104.437 -8.779 -5.722 1.00 0.00 H new ATOM 0 HB2 GLN A 73 104.437 -11.859 -5.745 1.00 0.00 H new ATOM 0 HB3 GLN A 73 105.844 -10.854 -5.456 1.00 0.00 H new ATOM 0 HG2 GLN A 73 103.326 -10.747 -3.719 1.00 0.00 H new ATOM 0 HG3 GLN A 73 104.713 -11.749 -3.337 1.00 0.00 H new ATOM 0 HE21 GLN A 73 103.499 -9.146 -2.077 1.00 0.00 H new ATOM 0 HE22 GLN A 73 104.911 -8.098 -1.901 1.00 0.00 H new ATOM 750 N MET A 74 105.161 -8.868 -8.076 1.00 0.00 N ATOM 751 CA MET A 74 105.521 -8.880 -9.527 1.00 0.00 C ATOM 752 C MET A 74 107.039 -9.023 -9.694 1.00 0.00 C ATOM 753 O MET A 74 107.509 -9.703 -10.586 1.00 0.00 O ATOM 754 CB MET A 74 105.016 -7.544 -10.090 1.00 0.00 C ATOM 755 CG MET A 74 105.711 -6.368 -9.396 1.00 0.00 C ATOM 756 SD MET A 74 105.107 -4.813 -10.097 1.00 0.00 S ATOM 757 CE MET A 74 105.606 -5.126 -11.809 1.00 0.00 C ATOM 0 H MET A 74 105.534 -8.082 -7.544 1.00 0.00 H new ATOM 0 HA MET A 74 105.072 -9.720 -10.057 1.00 0.00 H new ATOM 0 HB2 MET A 74 105.203 -7.502 -11.163 1.00 0.00 H new ATOM 0 HB3 MET A 74 103.937 -7.469 -9.951 1.00 0.00 H new ATOM 0 HG2 MET A 74 105.515 -6.397 -8.324 1.00 0.00 H new ATOM 0 HG3 MET A 74 106.791 -6.442 -9.525 1.00 0.00 H new ATOM 0 HE1 MET A 74 106.032 -4.218 -12.236 1.00 0.00 H new ATOM 0 HE2 MET A 74 106.351 -5.922 -11.831 1.00 0.00 H new ATOM 0 HE3 MET A 74 104.736 -5.427 -12.392 1.00 0.00 H new ATOM 767 N TYR A 75 107.803 -8.400 -8.833 1.00 0.00 N ATOM 768 CA TYR A 75 109.290 -8.511 -8.926 1.00 0.00 C ATOM 769 C TYR A 75 109.815 -9.315 -7.733 1.00 0.00 C ATOM 770 O TYR A 75 109.623 -8.942 -6.592 1.00 0.00 O ATOM 771 CB TYR A 75 109.813 -7.071 -8.878 1.00 0.00 C ATOM 772 CG TYR A 75 109.408 -6.326 -10.131 1.00 0.00 C ATOM 773 CD1 TYR A 75 109.645 -6.884 -11.395 1.00 0.00 C ATOM 774 CD2 TYR A 75 108.802 -5.067 -10.026 1.00 0.00 C ATOM 775 CE1 TYR A 75 109.275 -6.184 -12.549 1.00 0.00 C ATOM 776 CE2 TYR A 75 108.432 -4.368 -11.180 1.00 0.00 C ATOM 777 CZ TYR A 75 108.668 -4.926 -12.442 1.00 0.00 C ATOM 778 OH TYR A 75 108.301 -4.237 -13.580 1.00 0.00 O ATOM 0 H TYR A 75 107.460 -7.818 -8.068 1.00 0.00 H new ATOM 0 HA TYR A 75 109.614 -9.020 -9.834 1.00 0.00 H new ATOM 0 HB2 TYR A 75 109.417 -6.562 -7.999 1.00 0.00 H new ATOM 0 HB3 TYR A 75 110.899 -7.074 -8.783 1.00 0.00 H new ATOM 0 HD1 TYR A 75 110.113 -7.854 -11.478 1.00 0.00 H new ATOM 0 HD2 TYR A 75 108.620 -4.636 -9.053 1.00 0.00 H new ATOM 0 HE1 TYR A 75 109.458 -6.614 -13.523 1.00 0.00 H new ATOM 0 HE2 TYR A 75 107.964 -3.398 -11.097 1.00 0.00 H new ATOM 0 HH TYR A 75 107.893 -3.383 -13.328 1.00 0.00 H new ATOM 788 N THR A 76 110.461 -10.424 -7.990 1.00 0.00 N ATOM 789 CA THR A 76 110.986 -11.268 -6.875 1.00 0.00 C ATOM 790 C THR A 76 112.267 -11.987 -7.311 1.00 0.00 C ATOM 791 O THR A 76 112.287 -12.667 -8.319 1.00 0.00 O ATOM 792 CB THR A 76 109.864 -12.275 -6.606 1.00 0.00 C ATOM 793 OG1 THR A 76 108.677 -11.575 -6.261 1.00 0.00 O ATOM 794 CG2 THR A 76 110.259 -13.204 -5.460 1.00 0.00 C ATOM 0 H THR A 76 110.648 -10.782 -8.927 1.00 0.00 H new ATOM 0 HA THR A 76 111.243 -10.687 -5.990 1.00 0.00 H new ATOM 0 HB THR A 76 109.693 -12.870 -7.503 1.00 0.00 H new ATOM 0 HG1 THR A 76 107.957 -12.217 -6.090 1.00 0.00 H new ATOM 0 HG21 THR A 76 109.455 -13.917 -5.276 1.00 0.00 H new ATOM 0 HG22 THR A 76 111.168 -13.743 -5.726 1.00 0.00 H new ATOM 0 HG23 THR A 76 110.436 -12.616 -4.559 1.00 0.00 H new ATOM 802 N ASN A 77 113.337 -11.843 -6.561 1.00 0.00 N ATOM 803 CA ASN A 77 114.613 -12.525 -6.950 1.00 0.00 C ATOM 804 C ASN A 77 115.617 -12.534 -5.789 1.00 0.00 C ATOM 805 O ASN A 77 115.983 -11.496 -5.269 1.00 0.00 O ATOM 806 CB ASN A 77 115.151 -11.687 -8.107 1.00 0.00 C ATOM 807 CG ASN A 77 116.428 -12.326 -8.658 1.00 0.00 C ATOM 808 OD1 ASN A 77 116.637 -13.515 -8.517 1.00 0.00 O ATOM 809 ND2 ASN A 77 117.297 -11.583 -9.287 1.00 0.00 N ATOM 0 H ASN A 77 113.381 -11.289 -5.706 1.00 0.00 H new ATOM 0 HA ASN A 77 114.451 -13.569 -7.220 1.00 0.00 H new ATOM 0 HB2 ASN A 77 114.401 -11.613 -8.894 1.00 0.00 H new ATOM 0 HB3 ASN A 77 115.358 -10.672 -7.768 1.00 0.00 H new ATOM 0 HD21 ASN A 77 118.150 -12.000 -9.659 1.00 0.00 H new ATOM 0 HD22 ASN A 77 117.123 -10.585 -9.406 1.00 0.00 H new ATOM 816 N VAL A 78 116.077 -13.699 -5.393 1.00 0.00 N ATOM 817 CA VAL A 78 117.076 -13.773 -4.281 1.00 0.00 C ATOM 818 C VAL A 78 118.435 -13.267 -4.783 1.00 0.00 C ATOM 819 O VAL A 78 119.192 -12.668 -4.042 1.00 0.00 O ATOM 820 CB VAL A 78 117.142 -15.261 -3.878 1.00 0.00 C ATOM 821 CG1 VAL A 78 118.273 -15.507 -2.864 1.00 0.00 C ATOM 822 CG2 VAL A 78 115.819 -15.667 -3.228 1.00 0.00 C ATOM 0 H VAL A 78 115.804 -14.598 -5.791 1.00 0.00 H new ATOM 0 HA VAL A 78 116.800 -13.155 -3.427 1.00 0.00 H new ATOM 0 HB VAL A 78 117.331 -15.849 -4.776 1.00 0.00 H new ATOM 0 HG11 VAL A 78 118.298 -16.563 -2.596 1.00 0.00 H new ATOM 0 HG12 VAL A 78 119.227 -15.222 -3.307 1.00 0.00 H new ATOM 0 HG13 VAL A 78 118.096 -14.910 -1.969 1.00 0.00 H new ATOM 0 HG21 VAL A 78 115.862 -16.718 -2.942 1.00 0.00 H new ATOM 0 HG22 VAL A 78 115.646 -15.056 -2.342 1.00 0.00 H new ATOM 0 HG23 VAL A 78 115.004 -15.517 -3.936 1.00 0.00 H new ATOM 832 N ASP A 79 118.747 -13.510 -6.030 1.00 0.00 N ATOM 833 CA ASP A 79 120.060 -13.051 -6.587 1.00 0.00 C ATOM 834 C ASP A 79 120.227 -11.542 -6.394 1.00 0.00 C ATOM 835 O ASP A 79 121.272 -11.071 -5.985 1.00 0.00 O ATOM 836 CB ASP A 79 120.004 -13.387 -8.077 1.00 0.00 C ATOM 837 CG ASP A 79 120.591 -14.779 -8.312 1.00 0.00 C ATOM 838 OD1 ASP A 79 121.751 -14.975 -7.989 1.00 0.00 O ATOM 839 OD2 ASP A 79 119.871 -15.628 -8.813 1.00 0.00 O ATOM 0 H ASP A 79 118.149 -14.008 -6.690 1.00 0.00 H new ATOM 0 HA ASP A 79 120.901 -13.532 -6.088 1.00 0.00 H new ATOM 0 HB2 ASP A 79 118.973 -13.352 -8.429 1.00 0.00 H new ATOM 0 HB3 ASP A 79 120.562 -12.645 -8.649 1.00 0.00 H new ATOM 844 N GLN A 80 119.200 -10.786 -6.678 1.00 0.00 N ATOM 845 CA GLN A 80 119.283 -9.306 -6.505 1.00 0.00 C ATOM 846 C GLN A 80 118.824 -8.902 -5.096 1.00 0.00 C ATOM 847 O GLN A 80 118.989 -7.768 -4.689 1.00 0.00 O ATOM 848 CB GLN A 80 118.343 -8.729 -7.563 1.00 0.00 C ATOM 849 CG GLN A 80 118.540 -7.214 -7.646 1.00 0.00 C ATOM 850 CD GLN A 80 117.826 -6.674 -8.887 1.00 0.00 C ATOM 851 OE1 GLN A 80 118.410 -6.597 -9.950 1.00 0.00 O ATOM 852 NE2 GLN A 80 116.582 -6.294 -8.797 1.00 0.00 N ATOM 0 H GLN A 80 118.304 -11.131 -7.023 1.00 0.00 H new ATOM 0 HA GLN A 80 120.302 -8.937 -6.620 1.00 0.00 H new ATOM 0 HB2 GLN A 80 118.544 -9.186 -8.532 1.00 0.00 H new ATOM 0 HB3 GLN A 80 117.308 -8.959 -7.310 1.00 0.00 H new ATOM 0 HG2 GLN A 80 118.146 -6.736 -6.749 1.00 0.00 H new ATOM 0 HG3 GLN A 80 119.603 -6.977 -7.693 1.00 0.00 H new ATOM 0 HE21 GLN A 80 116.092 -6.359 -7.905 1.00 0.00 H new ATOM 0 HE22 GLN A 80 116.099 -5.932 -9.619 1.00 0.00 H new ATOM 861 N ASP A 81 118.246 -9.819 -4.346 1.00 0.00 N ATOM 862 CA ASP A 81 117.772 -9.487 -2.958 1.00 0.00 C ATOM 863 C ASP A 81 116.858 -8.262 -2.979 1.00 0.00 C ATOM 864 O ASP A 81 116.940 -7.408 -2.115 1.00 0.00 O ATOM 865 CB ASP A 81 119.040 -9.179 -2.151 1.00 0.00 C ATOM 866 CG ASP A 81 118.712 -9.142 -0.651 1.00 0.00 C ATOM 867 OD1 ASP A 81 117.565 -9.332 -0.272 1.00 0.00 O ATOM 868 OD2 ASP A 81 119.736 -8.895 0.243 1.00 0.00 O ATOM 0 H ASP A 81 118.082 -10.783 -4.636 1.00 0.00 H new ATOM 0 HA ASP A 81 117.200 -10.309 -2.526 1.00 0.00 H new ATOM 0 HB2 ASP A 81 119.799 -9.937 -2.347 1.00 0.00 H new ATOM 0 HB3 ASP A 81 119.457 -8.222 -2.464 1.00 0.00 H new ATOM 874 N LEU A 82 115.998 -8.164 -3.960 1.00 0.00 N ATOM 875 CA LEU A 82 115.091 -6.981 -4.035 1.00 0.00 C ATOM 876 C LEU A 82 113.694 -7.387 -4.512 1.00 0.00 C ATOM 877 O LEU A 82 113.496 -8.431 -5.114 1.00 0.00 O ATOM 878 CB LEU A 82 115.756 -6.035 -5.048 1.00 0.00 C ATOM 879 CG LEU A 82 116.188 -4.743 -4.347 1.00 0.00 C ATOM 880 CD1 LEU A 82 117.369 -5.033 -3.418 1.00 0.00 C ATOM 881 CD2 LEU A 82 116.605 -3.709 -5.397 1.00 0.00 C ATOM 0 H LEU A 82 115.885 -8.848 -4.708 1.00 0.00 H new ATOM 0 HA LEU A 82 114.956 -6.512 -3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 82 116.621 -6.521 -5.500 1.00 0.00 H new ATOM 0 HB3 LEU A 82 115.061 -5.806 -5.856 1.00 0.00 H new ATOM 0 HG LEU A 82 115.356 -4.352 -3.762 1.00 0.00 H new ATOM 0 HD11 LEU A 82 117.675 -4.113 -2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 82 117.072 -5.768 -2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 82 118.203 -5.425 -4.001 1.00 0.00 H new ATOM 0 HD21 LEU A 82 116.913 -2.789 -4.900 1.00 0.00 H new ATOM 0 HD22 LEU A 82 117.437 -4.100 -5.983 1.00 0.00 H new ATOM 0 HD23 LEU A 82 115.763 -3.501 -6.057 1.00 0.00 H new ATOM 893 N VAL A 83 112.730 -6.548 -4.246 1.00 0.00 N ATOM 894 CA VAL A 83 111.323 -6.825 -4.670 1.00 0.00 C ATOM 895 C VAL A 83 110.734 -5.510 -5.195 1.00 0.00 C ATOM 896 O VAL A 83 111.293 -4.453 -4.960 1.00 0.00 O ATOM 897 CB VAL A 83 110.551 -7.305 -3.417 1.00 0.00 C ATOM 898 CG1 VAL A 83 109.391 -8.203 -3.850 1.00 0.00 C ATOM 899 CG2 VAL A 83 111.454 -8.118 -2.475 1.00 0.00 C ATOM 0 H VAL A 83 112.858 -5.669 -3.745 1.00 0.00 H new ATOM 0 HA VAL A 83 111.263 -7.585 -5.449 1.00 0.00 H new ATOM 0 HB VAL A 83 110.192 -6.421 -2.891 1.00 0.00 H new ATOM 0 HG11 VAL A 83 108.845 -8.543 -2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 83 108.719 -7.642 -4.499 1.00 0.00 H new ATOM 0 HG13 VAL A 83 109.781 -9.066 -4.390 1.00 0.00 H new ATOM 0 HG21 VAL A 83 110.879 -8.439 -1.606 1.00 0.00 H new ATOM 0 HG22 VAL A 83 111.834 -8.993 -3.001 1.00 0.00 H new ATOM 0 HG23 VAL A 83 112.290 -7.499 -2.148 1.00 0.00 H new ATOM 909 N GLY A 84 109.634 -5.550 -5.904 1.00 0.00 N ATOM 910 CA GLY A 84 109.054 -4.278 -6.436 1.00 0.00 C ATOM 911 C GLY A 84 107.546 -4.411 -6.640 1.00 0.00 C ATOM 912 O GLY A 84 107.024 -5.494 -6.828 1.00 0.00 O ATOM 0 H GLY A 84 109.117 -6.398 -6.136 1.00 0.00 H new ATOM 0 HA2 GLY A 84 109.261 -3.462 -5.744 1.00 0.00 H new ATOM 0 HA3 GLY A 84 109.532 -4.023 -7.382 1.00 0.00 H new ATOM 916 N TRP A 85 106.849 -3.304 -6.609 1.00 0.00 N ATOM 917 CA TRP A 85 105.368 -3.327 -6.805 1.00 0.00 C ATOM 918 C TRP A 85 104.947 -2.108 -7.629 1.00 0.00 C ATOM 919 O TRP A 85 105.694 -1.155 -7.758 1.00 0.00 O ATOM 920 CB TRP A 85 104.760 -3.246 -5.397 1.00 0.00 C ATOM 921 CG TRP A 85 105.316 -4.330 -4.527 1.00 0.00 C ATOM 922 CD1 TRP A 85 105.217 -5.657 -4.774 1.00 0.00 C ATOM 923 CD2 TRP A 85 106.057 -4.199 -3.282 1.00 0.00 C ATOM 924 NE1 TRP A 85 105.852 -6.347 -3.757 1.00 0.00 N ATOM 925 CE2 TRP A 85 106.386 -5.492 -2.814 1.00 0.00 C ATOM 926 CE3 TRP A 85 106.471 -3.091 -2.521 1.00 0.00 C ATOM 927 CZ2 TRP A 85 107.101 -5.680 -1.631 1.00 0.00 C ATOM 928 CZ3 TRP A 85 107.191 -3.276 -1.331 1.00 0.00 C ATOM 929 CH2 TRP A 85 107.505 -4.568 -0.887 1.00 0.00 C ATOM 0 H TRP A 85 107.246 -2.377 -6.455 1.00 0.00 H new ATOM 0 HA TRP A 85 105.037 -4.222 -7.332 1.00 0.00 H new ATOM 0 HB2 TRP A 85 104.974 -2.272 -4.957 1.00 0.00 H new ATOM 0 HB3 TRP A 85 103.676 -3.338 -5.456 1.00 0.00 H new ATOM 0 HD1 TRP A 85 104.724 -6.104 -5.625 1.00 0.00 H new ATOM 0 HE1 TRP A 85 105.918 -7.364 -3.710 1.00 0.00 H new ATOM 0 HE3 TRP A 85 106.233 -2.092 -2.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 107.341 -6.677 -1.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 107.505 -2.419 -0.754 1.00 0.00 H new ATOM 0 HH2 TRP A 85 108.059 -4.704 0.030 1.00 0.00 H new ATOM 940 N GLN A 86 103.759 -2.124 -8.177 1.00 0.00 N ATOM 941 CA GLN A 86 103.293 -0.957 -8.987 1.00 0.00 C ATOM 942 C GLN A 86 102.956 0.217 -8.063 1.00 0.00 C ATOM 943 O GLN A 86 102.138 0.098 -7.170 1.00 0.00 O ATOM 944 CB GLN A 86 102.038 -1.444 -9.718 1.00 0.00 C ATOM 945 CG GLN A 86 102.385 -1.777 -11.171 1.00 0.00 C ATOM 946 CD GLN A 86 101.133 -1.635 -12.042 1.00 0.00 C ATOM 947 OE1 GLN A 86 100.223 -0.905 -11.705 1.00 0.00 O ATOM 948 NE2 GLN A 86 101.050 -2.308 -13.158 1.00 0.00 N ATOM 0 H GLN A 86 103.093 -2.892 -8.099 1.00 0.00 H new ATOM 0 HA GLN A 86 104.054 -0.610 -9.686 1.00 0.00 H new ATOM 0 HB2 GLN A 86 101.634 -2.325 -9.219 1.00 0.00 H new ATOM 0 HB3 GLN A 86 101.265 -0.676 -9.685 1.00 0.00 H new ATOM 0 HG2 GLN A 86 103.168 -1.110 -11.531 1.00 0.00 H new ATOM 0 HG3 GLN A 86 102.775 -2.793 -11.239 1.00 0.00 H new ATOM 0 HE21 GLN A 86 101.814 -2.921 -13.442 1.00 0.00 H new ATOM 0 HE22 GLN A 86 100.221 -2.220 -13.746 1.00 0.00 H new ATOM 957 N ALA A 87 103.583 1.347 -8.272 1.00 0.00 N ATOM 958 CA ALA A 87 103.308 2.535 -7.408 1.00 0.00 C ATOM 959 C ALA A 87 102.235 3.426 -8.054 1.00 0.00 C ATOM 960 O ALA A 87 102.069 3.407 -9.257 1.00 0.00 O ATOM 961 CB ALA A 87 104.642 3.277 -7.317 1.00 0.00 C ATOM 0 H ALA A 87 104.275 1.498 -9.006 1.00 0.00 H new ATOM 0 HA ALA A 87 102.933 2.252 -6.425 1.00 0.00 H new ATOM 0 HB1 ALA A 87 104.523 4.165 -6.697 1.00 0.00 H new ATOM 0 HB2 ALA A 87 105.393 2.623 -6.873 1.00 0.00 H new ATOM 0 HB3 ALA A 87 104.963 3.572 -8.316 1.00 0.00 H new ATOM 967 N PRO A 88 101.535 4.185 -7.236 1.00 0.00 N ATOM 968 CA PRO A 88 100.476 5.081 -7.765 1.00 0.00 C ATOM 969 C PRO A 88 101.105 6.282 -8.492 1.00 0.00 C ATOM 970 O PRO A 88 102.155 6.751 -8.099 1.00 0.00 O ATOM 971 CB PRO A 88 99.728 5.535 -6.515 1.00 0.00 C ATOM 972 CG PRO A 88 100.715 5.404 -5.401 1.00 0.00 C ATOM 973 CD PRO A 88 101.653 4.284 -5.770 1.00 0.00 C ATOM 0 HA PRO A 88 99.825 4.592 -8.489 1.00 0.00 H new ATOM 0 HB2 PRO A 88 99.381 6.563 -6.615 1.00 0.00 H new ATOM 0 HB3 PRO A 88 98.848 4.917 -6.336 1.00 0.00 H new ATOM 0 HG2 PRO A 88 101.264 6.335 -5.261 1.00 0.00 H new ATOM 0 HG3 PRO A 88 100.208 5.188 -4.461 1.00 0.00 H new ATOM 0 HD2 PRO A 88 102.676 4.505 -5.466 1.00 0.00 H new ATOM 0 HD3 PRO A 88 101.370 3.351 -5.283 1.00 0.00 H new ATOM 981 N PRO A 89 100.447 6.749 -9.533 1.00 0.00 N ATOM 982 CA PRO A 89 100.976 7.905 -10.297 1.00 0.00 C ATOM 983 C PRO A 89 100.722 9.209 -9.537 1.00 0.00 C ATOM 984 O PRO A 89 99.869 9.275 -8.671 1.00 0.00 O ATOM 985 CB PRO A 89 100.180 7.873 -11.596 1.00 0.00 C ATOM 986 CG PRO A 89 98.904 7.167 -11.262 1.00 0.00 C ATOM 987 CD PRO A 89 99.176 6.260 -10.094 1.00 0.00 C ATOM 0 HA PRO A 89 102.052 7.852 -10.461 1.00 0.00 H new ATOM 0 HB2 PRO A 89 99.987 8.881 -11.964 1.00 0.00 H new ATOM 0 HB3 PRO A 89 100.727 7.347 -12.379 1.00 0.00 H new ATOM 0 HG2 PRO A 89 98.123 7.886 -11.014 1.00 0.00 H new ATOM 0 HG3 PRO A 89 98.549 6.593 -12.118 1.00 0.00 H new ATOM 0 HD2 PRO A 89 98.373 6.309 -9.359 1.00 0.00 H new ATOM 0 HD3 PRO A 89 99.256 5.220 -10.410 1.00 0.00 H new ATOM 995 N GLY A 90 101.454 10.246 -9.857 1.00 0.00 N ATOM 996 CA GLY A 90 101.258 11.552 -9.161 1.00 0.00 C ATOM 997 C GLY A 90 102.204 11.647 -7.961 1.00 0.00 C ATOM 998 O GLY A 90 101.912 12.309 -6.983 1.00 0.00 O ATOM 0 H GLY A 90 102.181 10.243 -10.573 1.00 0.00 H new ATOM 0 HA2 GLY A 90 101.447 12.374 -9.851 1.00 0.00 H new ATOM 0 HA3 GLY A 90 100.224 11.646 -8.829 1.00 0.00 H new ATOM 1002 N ALA A 91 103.336 10.991 -8.031 1.00 0.00 N ATOM 1003 CA ALA A 91 104.308 11.041 -6.898 1.00 0.00 C ATOM 1004 C ALA A 91 105.721 11.303 -7.426 1.00 0.00 C ATOM 1005 O ALA A 91 106.004 11.094 -8.591 1.00 0.00 O ATOM 1006 CB ALA A 91 104.228 9.662 -6.244 1.00 0.00 C ATOM 0 H ALA A 91 103.628 10.422 -8.826 1.00 0.00 H new ATOM 0 HA ALA A 91 104.078 11.840 -6.193 1.00 0.00 H new ATOM 0 HB1 ALA A 91 104.916 9.619 -5.400 1.00 0.00 H new ATOM 0 HB2 ALA A 91 103.211 9.484 -5.893 1.00 0.00 H new ATOM 0 HB3 ALA A 91 104.499 8.898 -6.972 1.00 0.00 H new ATOM 1012 N ARG A 92 106.606 11.760 -6.578 1.00 0.00 N ATOM 1013 CA ARG A 92 108.004 12.039 -7.025 1.00 0.00 C ATOM 1014 C ARG A 92 108.807 10.737 -7.096 1.00 0.00 C ATOM 1015 O ARG A 92 108.515 9.781 -6.402 1.00 0.00 O ATOM 1016 CB ARG A 92 108.586 12.973 -5.962 1.00 0.00 C ATOM 1017 CG ARG A 92 109.717 13.801 -6.576 1.00 0.00 C ATOM 1018 CD ARG A 92 109.122 14.906 -7.451 1.00 0.00 C ATOM 1019 NE ARG A 92 110.087 15.064 -8.583 1.00 0.00 N ATOM 1020 CZ ARG A 92 111.136 15.856 -8.484 1.00 0.00 C ATOM 1021 NH1 ARG A 92 111.492 16.382 -7.336 1.00 0.00 N ATOM 1022 NH2 ARG A 92 111.838 16.120 -9.553 1.00 0.00 N ATOM 0 H ARG A 92 106.421 11.952 -5.594 1.00 0.00 H new ATOM 0 HA ARG A 92 108.036 12.486 -8.019 1.00 0.00 H new ATOM 0 HB2 ARG A 92 107.808 13.631 -5.575 1.00 0.00 H new ATOM 0 HB3 ARG A 92 108.962 12.393 -5.119 1.00 0.00 H new ATOM 0 HG2 ARG A 92 110.332 14.237 -5.789 1.00 0.00 H new ATOM 0 HG3 ARG A 92 110.368 13.162 -7.172 1.00 0.00 H new ATOM 0 HD2 ARG A 92 108.131 14.633 -7.812 1.00 0.00 H new ATOM 0 HD3 ARG A 92 109.013 15.836 -6.893 1.00 0.00 H new ATOM 0 HE ARG A 92 109.930 14.548 -9.449 1.00 0.00 H new ATOM 0 HH11 ARG A 92 110.953 16.181 -6.494 1.00 0.00 H new ATOM 0 HH12 ARG A 92 112.308 16.992 -7.286 1.00 0.00 H new ATOM 0 HH21 ARG A 92 111.572 15.715 -10.451 1.00 0.00 H new ATOM 0 HH22 ARG A 92 112.652 16.731 -9.490 1.00 0.00 H new ATOM 1036 N SER A 93 109.814 10.694 -7.933 1.00 0.00 N ATOM 1037 CA SER A 93 110.640 9.456 -8.058 1.00 0.00 C ATOM 1038 C SER A 93 112.130 9.810 -8.068 1.00 0.00 C ATOM 1039 O SER A 93 112.508 10.927 -8.367 1.00 0.00 O ATOM 1040 CB SER A 93 110.226 8.838 -9.392 1.00 0.00 C ATOM 1041 OG SER A 93 108.832 8.563 -9.369 1.00 0.00 O ATOM 0 H SER A 93 110.099 11.466 -8.536 1.00 0.00 H new ATOM 0 HA SER A 93 110.484 8.770 -7.225 1.00 0.00 H new ATOM 0 HB2 SER A 93 110.461 9.519 -10.210 1.00 0.00 H new ATOM 0 HB3 SER A 93 110.787 7.920 -9.571 1.00 0.00 H new ATOM 0 HG SER A 93 108.562 8.168 -10.224 1.00 0.00 H new ATOM 1047 N LEU A 94 112.975 8.864 -7.744 1.00 0.00 N ATOM 1048 CA LEU A 94 114.444 9.135 -7.732 1.00 0.00 C ATOM 1049 C LEU A 94 115.126 8.432 -8.908 1.00 0.00 C ATOM 1050 O LEU A 94 114.606 7.481 -9.461 1.00 0.00 O ATOM 1051 CB LEU A 94 114.943 8.564 -6.405 1.00 0.00 C ATOM 1052 CG LEU A 94 114.664 9.564 -5.282 1.00 0.00 C ATOM 1053 CD1 LEU A 94 114.768 8.858 -3.930 1.00 0.00 C ATOM 1054 CD2 LEU A 94 115.693 10.697 -5.345 1.00 0.00 C ATOM 0 H LEU A 94 112.710 7.913 -7.487 1.00 0.00 H new ATOM 0 HA LEU A 94 114.665 10.198 -7.828 1.00 0.00 H new ATOM 0 HB2 LEU A 94 114.446 7.617 -6.195 1.00 0.00 H new ATOM 0 HB3 LEU A 94 116.011 8.357 -6.465 1.00 0.00 H new ATOM 0 HG LEU A 94 113.661 9.973 -5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 94 114.569 9.572 -3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 94 114.038 8.050 -3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 94 115.771 8.449 -3.809 1.00 0.00 H new ATOM 0 HD21 LEU A 94 115.497 11.412 -4.546 1.00 0.00 H new ATOM 0 HD22 LEU A 94 116.695 10.285 -5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 94 115.620 11.201 -6.309 1.00 0.00 H new ATOM 1066 N THR A 95 116.286 8.899 -9.294 1.00 0.00 N ATOM 1067 CA THR A 95 117.014 8.270 -10.436 1.00 0.00 C ATOM 1068 C THR A 95 118.511 8.142 -10.102 1.00 0.00 C ATOM 1069 O THR A 95 118.988 8.787 -9.190 1.00 0.00 O ATOM 1070 CB THR A 95 116.803 9.227 -11.611 1.00 0.00 C ATOM 1071 OG1 THR A 95 117.291 10.513 -11.265 1.00 0.00 O ATOM 1072 CG2 THR A 95 115.311 9.316 -11.937 1.00 0.00 C ATOM 0 H THR A 95 116.762 9.693 -8.865 1.00 0.00 H new ATOM 0 HA THR A 95 116.652 7.266 -10.659 1.00 0.00 H new ATOM 0 HB THR A 95 117.342 8.856 -12.483 1.00 0.00 H new ATOM 0 HG1 THR A 95 117.231 11.106 -12.043 1.00 0.00 H new ATOM 0 HG21 THR A 95 115.162 9.998 -12.774 1.00 0.00 H new ATOM 0 HG22 THR A 95 114.937 8.327 -12.203 1.00 0.00 H new ATOM 0 HG23 THR A 95 114.770 9.686 -11.066 1.00 0.00 H new ATOM 1080 N PRO A 96 119.212 7.313 -10.849 1.00 0.00 N ATOM 1081 CA PRO A 96 120.664 7.126 -10.598 1.00 0.00 C ATOM 1082 C PRO A 96 121.437 8.381 -11.013 1.00 0.00 C ATOM 1083 O PRO A 96 121.109 9.024 -11.992 1.00 0.00 O ATOM 1084 CB PRO A 96 121.033 5.937 -11.482 1.00 0.00 C ATOM 1085 CG PRO A 96 120.007 5.930 -12.568 1.00 0.00 C ATOM 1086 CD PRO A 96 118.741 6.489 -11.976 1.00 0.00 C ATOM 0 HA PRO A 96 120.902 6.954 -9.548 1.00 0.00 H new ATOM 0 HB2 PRO A 96 122.038 6.045 -11.889 1.00 0.00 H new ATOM 0 HB3 PRO A 96 121.016 5.005 -10.917 1.00 0.00 H new ATOM 0 HG2 PRO A 96 120.336 6.532 -13.415 1.00 0.00 H new ATOM 0 HG3 PRO A 96 119.846 4.918 -12.940 1.00 0.00 H new ATOM 0 HD2 PRO A 96 118.189 7.084 -12.703 1.00 0.00 H new ATOM 0 HD3 PRO A 96 118.073 5.696 -11.640 1.00 0.00 H new ATOM 1094 N CYS A 97 122.454 8.737 -10.268 1.00 0.00 N ATOM 1095 CA CYS A 97 123.243 9.959 -10.610 1.00 0.00 C ATOM 1096 C CYS A 97 124.324 9.637 -11.649 1.00 0.00 C ATOM 1097 O CYS A 97 124.749 8.507 -11.790 1.00 0.00 O ATOM 1098 CB CYS A 97 123.868 10.429 -9.285 1.00 0.00 C ATOM 1099 SG CYS A 97 125.071 9.216 -8.665 1.00 0.00 S ATOM 0 H CYS A 97 122.771 8.235 -9.439 1.00 0.00 H new ATOM 0 HA CYS A 97 122.617 10.734 -11.053 1.00 0.00 H new ATOM 0 HB2 CYS A 97 124.359 11.391 -9.432 1.00 0.00 H new ATOM 0 HB3 CYS A 97 123.084 10.581 -8.543 1.00 0.00 H new ATOM 0 HG CYS A 97 125.709 9.718 -7.650 1.00 0.00 H new ATOM 1104 N THR A 98 124.778 10.636 -12.358 1.00 0.00 N ATOM 1105 CA THR A 98 125.846 10.419 -13.376 1.00 0.00 C ATOM 1106 C THR A 98 127.100 11.191 -12.958 1.00 0.00 C ATOM 1107 O THR A 98 127.503 12.138 -13.607 1.00 0.00 O ATOM 1108 CB THR A 98 125.274 10.967 -14.691 1.00 0.00 C ATOM 1109 OG1 THR A 98 126.250 10.844 -15.715 1.00 0.00 O ATOM 1110 CG2 THR A 98 124.887 12.441 -14.529 1.00 0.00 C ATOM 0 H THR A 98 124.452 11.599 -12.275 1.00 0.00 H new ATOM 0 HA THR A 98 126.127 9.371 -13.479 1.00 0.00 H new ATOM 0 HB THR A 98 124.384 10.396 -14.957 1.00 0.00 H new ATOM 0 HG1 THR A 98 127.056 11.339 -15.459 1.00 0.00 H new ATOM 0 HG21 THR A 98 124.483 12.817 -15.469 1.00 0.00 H new ATOM 0 HG22 THR A 98 124.134 12.536 -13.747 1.00 0.00 H new ATOM 0 HG23 THR A 98 125.769 13.021 -14.256 1.00 0.00 H new ATOM 1118 N CYS A 99 127.700 10.804 -11.859 1.00 0.00 N ATOM 1119 CA CYS A 99 128.914 11.534 -11.370 1.00 0.00 C ATOM 1120 C CYS A 99 129.944 10.595 -10.711 1.00 0.00 C ATOM 1121 O CYS A 99 131.049 11.010 -10.416 1.00 0.00 O ATOM 1122 CB CYS A 99 128.375 12.536 -10.337 1.00 0.00 C ATOM 1123 SG CYS A 99 127.495 11.661 -9.005 1.00 0.00 S ATOM 0 H CYS A 99 127.404 10.018 -11.281 1.00 0.00 H new ATOM 0 HA CYS A 99 129.441 12.009 -12.197 1.00 0.00 H new ATOM 0 HB2 CYS A 99 129.198 13.115 -9.919 1.00 0.00 H new ATOM 0 HB3 CYS A 99 127.702 13.243 -10.823 1.00 0.00 H new ATOM 0 HG CYS A 99 126.673 10.797 -9.523 1.00 0.00 H new ATOM 1128 N GLY A 100 129.612 9.341 -10.483 1.00 0.00 N ATOM 1129 CA GLY A 100 130.589 8.393 -9.849 1.00 0.00 C ATOM 1130 C GLY A 100 131.184 9.004 -8.572 1.00 0.00 C ATOM 1131 O GLY A 100 132.290 8.683 -8.179 1.00 0.00 O ATOM 0 H GLY A 100 128.705 8.934 -10.710 1.00 0.00 H new ATOM 0 HA2 GLY A 100 130.090 7.454 -9.611 1.00 0.00 H new ATOM 0 HA3 GLY A 100 131.388 8.160 -10.553 1.00 0.00 H new ATOM 1135 N SER A 101 130.461 9.889 -7.931 1.00 0.00 N ATOM 1136 CA SER A 101 130.983 10.533 -6.684 1.00 0.00 C ATOM 1137 C SER A 101 131.290 9.477 -5.619 1.00 0.00 C ATOM 1138 O SER A 101 130.456 8.654 -5.290 1.00 0.00 O ATOM 1139 CB SER A 101 129.864 11.460 -6.210 1.00 0.00 C ATOM 1140 OG SER A 101 129.767 12.570 -7.091 1.00 0.00 O ATOM 0 H SER A 101 129.531 10.194 -8.217 1.00 0.00 H new ATOM 0 HA SER A 101 131.911 11.074 -6.866 1.00 0.00 H new ATOM 0 HB2 SER A 101 128.917 10.920 -6.181 1.00 0.00 H new ATOM 0 HB3 SER A 101 130.066 11.803 -5.195 1.00 0.00 H new ATOM 0 HG SER A 101 129.069 12.399 -7.757 1.00 0.00 H new ATOM 1146 N SER A 102 132.482 9.502 -5.079 1.00 0.00 N ATOM 1147 CA SER A 102 132.856 8.504 -4.028 1.00 0.00 C ATOM 1148 C SER A 102 132.065 8.773 -2.746 1.00 0.00 C ATOM 1149 O SER A 102 131.613 7.858 -2.082 1.00 0.00 O ATOM 1150 CB SER A 102 134.352 8.713 -3.787 1.00 0.00 C ATOM 1151 OG SER A 102 135.071 8.350 -4.958 1.00 0.00 O ATOM 0 H SER A 102 133.214 10.170 -5.320 1.00 0.00 H new ATOM 0 HA SER A 102 132.635 7.481 -4.334 1.00 0.00 H new ATOM 0 HB2 SER A 102 134.549 9.755 -3.533 1.00 0.00 H new ATOM 0 HB3 SER A 102 134.684 8.111 -2.941 1.00 0.00 H new ATOM 0 HG SER A 102 136.030 8.484 -4.808 1.00 0.00 H new ATOM 1157 N ASP A 103 131.895 10.023 -2.396 1.00 0.00 N ATOM 1158 CA ASP A 103 131.130 10.362 -1.156 1.00 0.00 C ATOM 1159 C ASP A 103 129.690 9.859 -1.275 1.00 0.00 C ATOM 1160 O ASP A 103 129.076 9.957 -2.321 1.00 0.00 O ATOM 1161 CB ASP A 103 131.159 11.889 -1.065 1.00 0.00 C ATOM 1162 CG ASP A 103 130.617 12.330 0.296 1.00 0.00 C ATOM 1163 OD1 ASP A 103 129.431 12.156 0.523 1.00 0.00 O ATOM 1164 OD2 ASP A 103 131.396 12.834 1.087 1.00 0.00 O ATOM 0 H ASP A 103 132.253 10.825 -2.915 1.00 0.00 H new ATOM 0 HA ASP A 103 131.560 9.898 -0.268 1.00 0.00 H new ATOM 0 HB2 ASP A 103 132.178 12.252 -1.197 1.00 0.00 H new ATOM 0 HB3 ASP A 103 130.559 12.323 -1.865 1.00 0.00 H new ATOM 1169 N LEU A 104 129.152 9.320 -0.211 1.00 0.00 N ATOM 1170 CA LEU A 104 127.753 8.802 -0.258 1.00 0.00 C ATOM 1171 C LEU A 104 127.025 9.103 1.055 1.00 0.00 C ATOM 1172 O LEU A 104 127.626 9.506 2.032 1.00 0.00 O ATOM 1173 CB LEU A 104 127.901 7.293 -0.451 1.00 0.00 C ATOM 1174 CG LEU A 104 128.202 6.993 -1.921 1.00 0.00 C ATOM 1175 CD1 LEU A 104 128.805 5.594 -2.044 1.00 0.00 C ATOM 1176 CD2 LEU A 104 126.904 7.061 -2.729 1.00 0.00 C ATOM 0 H LEU A 104 129.622 9.217 0.688 1.00 0.00 H new ATOM 0 HA LEU A 104 127.170 9.265 -1.054 1.00 0.00 H new ATOM 0 HB2 LEU A 104 128.704 6.912 0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 104 126.986 6.785 -0.145 1.00 0.00 H new ATOM 0 HG LEU A 104 128.910 7.728 -2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 104 129.019 5.381 -3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 104 129.729 5.544 -1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 104 128.098 4.858 -1.661 1.00 0.00 H new ATOM 0 HD21 LEU A 104 127.116 6.848 -3.777 1.00 0.00 H new ATOM 0 HD22 LEU A 104 126.197 6.326 -2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 104 126.473 8.058 -2.642 1.00 0.00 H new ATOM 1188 N TYR A 105 125.733 8.902 1.078 1.00 0.00 N ATOM 1189 CA TYR A 105 124.946 9.163 2.319 1.00 0.00 C ATOM 1190 C TYR A 105 123.920 8.045 2.521 1.00 0.00 C ATOM 1191 O TYR A 105 123.172 7.714 1.622 1.00 0.00 O ATOM 1192 CB TYR A 105 124.241 10.499 2.072 1.00 0.00 C ATOM 1193 CG TYR A 105 125.236 11.627 2.203 1.00 0.00 C ATOM 1194 CD1 TYR A 105 125.447 12.232 3.449 1.00 0.00 C ATOM 1195 CD2 TYR A 105 125.945 12.071 1.081 1.00 0.00 C ATOM 1196 CE1 TYR A 105 126.368 13.279 3.570 1.00 0.00 C ATOM 1197 CE2 TYR A 105 126.865 13.119 1.203 1.00 0.00 C ATOM 1198 CZ TYR A 105 127.076 13.723 2.448 1.00 0.00 C ATOM 1199 OH TYR A 105 127.983 14.756 2.570 1.00 0.00 O ATOM 0 H TYR A 105 125.186 8.566 0.285 1.00 0.00 H new ATOM 0 HA TYR A 105 125.571 9.197 3.211 1.00 0.00 H new ATOM 0 HB2 TYR A 105 123.794 10.508 1.078 1.00 0.00 H new ATOM 0 HB3 TYR A 105 123.429 10.631 2.787 1.00 0.00 H new ATOM 0 HD1 TYR A 105 124.900 11.891 4.315 1.00 0.00 H new ATOM 0 HD2 TYR A 105 125.782 11.605 0.120 1.00 0.00 H new ATOM 0 HE1 TYR A 105 126.532 13.745 4.531 1.00 0.00 H new ATOM 0 HE2 TYR A 105 127.412 13.461 0.337 1.00 0.00 H new ATOM 0 HH TYR A 105 128.389 14.940 1.697 1.00 0.00 H new ATOM 1209 N LEU A 106 123.883 7.459 3.690 1.00 0.00 N ATOM 1210 CA LEU A 106 122.908 6.359 3.944 1.00 0.00 C ATOM 1211 C LEU A 106 121.891 6.780 5.007 1.00 0.00 C ATOM 1212 O LEU A 106 122.250 7.145 6.111 1.00 0.00 O ATOM 1213 CB LEU A 106 123.754 5.186 4.442 1.00 0.00 C ATOM 1214 CG LEU A 106 122.895 3.918 4.490 1.00 0.00 C ATOM 1215 CD1 LEU A 106 123.742 2.709 4.084 1.00 0.00 C ATOM 1216 CD2 LEU A 106 122.366 3.710 5.912 1.00 0.00 C ATOM 0 H LEU A 106 124.486 7.695 4.478 1.00 0.00 H new ATOM 0 HA LEU A 106 122.339 6.101 3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 106 124.608 5.034 3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 106 124.152 5.406 5.433 1.00 0.00 H new ATOM 0 HG LEU A 106 122.057 4.025 3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 106 123.130 1.808 4.119 1.00 0.00 H new ATOM 0 HD12 LEU A 106 124.119 2.853 3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 106 124.581 2.605 4.772 1.00 0.00 H new ATOM 0 HD21 LEU A 106 121.755 2.808 5.945 1.00 0.00 H new ATOM 0 HD22 LEU A 106 123.205 3.606 6.601 1.00 0.00 H new ATOM 0 HD23 LEU A 106 121.761 4.568 6.204 1.00 0.00 H new ATOM 1228 N VAL A 107 120.624 6.725 4.679 1.00 0.00 N ATOM 1229 CA VAL A 107 119.573 7.116 5.666 1.00 0.00 C ATOM 1230 C VAL A 107 119.062 5.868 6.390 1.00 0.00 C ATOM 1231 O VAL A 107 118.390 5.035 5.809 1.00 0.00 O ATOM 1232 CB VAL A 107 118.459 7.757 4.832 1.00 0.00 C ATOM 1233 CG1 VAL A 107 117.316 8.200 5.751 1.00 0.00 C ATOM 1234 CG2 VAL A 107 119.010 8.977 4.090 1.00 0.00 C ATOM 0 H VAL A 107 120.273 6.426 3.769 1.00 0.00 H new ATOM 0 HA VAL A 107 119.945 7.801 6.428 1.00 0.00 H new ATOM 0 HB VAL A 107 118.087 7.028 4.112 1.00 0.00 H new ATOM 0 HG11 VAL A 107 116.525 8.655 5.155 1.00 0.00 H new ATOM 0 HG12 VAL A 107 116.918 7.334 6.280 1.00 0.00 H new ATOM 0 HG13 VAL A 107 117.690 8.926 6.473 1.00 0.00 H new ATOM 0 HG21 VAL A 107 118.216 9.432 3.497 1.00 0.00 H new ATOM 0 HG22 VAL A 107 119.385 9.703 4.811 1.00 0.00 H new ATOM 0 HG23 VAL A 107 119.822 8.667 3.432 1.00 0.00 H new ATOM 1244 N THR A 108 119.380 5.730 7.653 1.00 0.00 N ATOM 1245 CA THR A 108 118.920 4.533 8.419 1.00 0.00 C ATOM 1246 C THR A 108 117.480 4.727 8.902 1.00 0.00 C ATOM 1247 O THR A 108 116.893 5.779 8.731 1.00 0.00 O ATOM 1248 CB THR A 108 119.876 4.423 9.608 1.00 0.00 C ATOM 1249 OG1 THR A 108 119.793 5.605 10.389 1.00 0.00 O ATOM 1250 CG2 THR A 108 121.309 4.239 9.105 1.00 0.00 C ATOM 0 H THR A 108 119.939 6.396 8.187 1.00 0.00 H new ATOM 0 HA THR A 108 118.928 3.631 7.808 1.00 0.00 H new ATOM 0 HB THR A 108 119.598 3.563 10.217 1.00 0.00 H new ATOM 0 HG1 THR A 108 119.662 5.366 11.331 1.00 0.00 H new ATOM 0 HG21 THR A 108 121.986 4.161 9.956 1.00 0.00 H new ATOM 0 HG22 THR A 108 121.371 3.329 8.508 1.00 0.00 H new ATOM 0 HG23 THR A 108 121.592 5.095 8.493 1.00 0.00 H new ATOM 1258 N ARG A 109 116.910 3.712 9.501 1.00 0.00 N ATOM 1259 CA ARG A 109 115.503 3.817 10.000 1.00 0.00 C ATOM 1260 C ARG A 109 115.380 4.945 11.036 1.00 0.00 C ATOM 1261 O ARG A 109 114.306 5.471 11.259 1.00 0.00 O ATOM 1262 CB ARG A 109 115.203 2.454 10.636 1.00 0.00 C ATOM 1263 CG ARG A 109 113.785 2.444 11.218 1.00 0.00 C ATOM 1264 CD ARG A 109 113.845 2.720 12.724 1.00 0.00 C ATOM 1265 NE ARG A 109 112.421 2.708 13.177 1.00 0.00 N ATOM 1266 CZ ARG A 109 112.103 2.451 14.430 1.00 0.00 C ATOM 1267 NH1 ARG A 109 113.018 2.392 15.370 1.00 0.00 N ATOM 1268 NH2 ARG A 109 110.851 2.255 14.744 1.00 0.00 N ATOM 0 H ARG A 109 117.359 2.812 9.667 1.00 0.00 H new ATOM 0 HA ARG A 109 114.800 4.055 9.201 1.00 0.00 H new ATOM 0 HB2 ARG A 109 115.304 1.666 9.890 1.00 0.00 H new ATOM 0 HB3 ARG A 109 115.928 2.243 11.422 1.00 0.00 H new ATOM 0 HG2 ARG A 109 113.173 3.199 10.724 1.00 0.00 H new ATOM 0 HG3 ARG A 109 113.312 1.479 11.033 1.00 0.00 H new ATOM 0 HD2 ARG A 109 114.430 1.960 13.241 1.00 0.00 H new ATOM 0 HD3 ARG A 109 114.317 3.681 12.931 1.00 0.00 H new ATOM 0 HE ARG A 109 111.680 2.903 12.503 1.00 0.00 H new ATOM 0 HH11 ARG A 109 113.999 2.547 15.137 1.00 0.00 H new ATOM 0 HH12 ARG A 109 112.748 2.192 16.333 1.00 0.00 H new ATOM 0 HH21 ARG A 109 110.131 2.302 14.023 1.00 0.00 H new ATOM 0 HH22 ARG A 109 110.593 2.055 15.710 1.00 0.00 H new ATOM 1282 N HIS A 110 116.466 5.318 11.667 1.00 0.00 N ATOM 1283 CA HIS A 110 116.405 6.412 12.688 1.00 0.00 C ATOM 1284 C HIS A 110 116.690 7.777 12.039 1.00 0.00 C ATOM 1285 O HIS A 110 117.041 8.725 12.713 1.00 0.00 O ATOM 1286 CB HIS A 110 117.494 6.063 13.714 1.00 0.00 C ATOM 1287 CG HIS A 110 116.895 5.988 15.094 1.00 0.00 C ATOM 1288 ND1 HIS A 110 115.674 5.378 15.338 1.00 0.00 N ATOM 1289 CD2 HIS A 110 117.336 6.442 16.312 1.00 0.00 C ATOM 1290 CE1 HIS A 110 115.426 5.480 16.656 1.00 0.00 C ATOM 1291 NE2 HIS A 110 116.407 6.120 17.297 1.00 0.00 N ATOM 0 H HIS A 110 117.391 4.914 11.520 1.00 0.00 H new ATOM 0 HA HIS A 110 115.419 6.486 13.148 1.00 0.00 H new ATOM 0 HB2 HIS A 110 117.956 5.110 13.457 1.00 0.00 H new ATOM 0 HB3 HIS A 110 118.282 6.816 13.691 1.00 0.00 H new ATOM 0 HD2 HIS A 110 118.263 6.969 16.480 1.00 0.00 H new ATOM 0 HE1 HIS A 110 114.541 5.091 17.137 1.00 0.00 H new ATOM 0 HE2 HIS A 110 116.463 6.328 18.294 1.00 0.00 H new ATOM 1299 N ALA A 111 116.537 7.886 10.737 1.00 0.00 N ATOM 1300 CA ALA A 111 116.792 9.191 10.039 1.00 0.00 C ATOM 1301 C ALA A 111 118.182 9.737 10.391 1.00 0.00 C ATOM 1302 O ALA A 111 118.354 10.920 10.617 1.00 0.00 O ATOM 1303 CB ALA A 111 115.698 10.139 10.539 1.00 0.00 C ATOM 0 H ALA A 111 116.245 7.124 10.126 1.00 0.00 H new ATOM 0 HA ALA A 111 116.769 9.079 8.955 1.00 0.00 H new ATOM 0 HB1 ALA A 111 115.821 11.115 10.070 1.00 0.00 H new ATOM 0 HB2 ALA A 111 114.720 9.733 10.282 1.00 0.00 H new ATOM 0 HB3 ALA A 111 115.774 10.244 11.621 1.00 0.00 H new ATOM 1309 N ASP A 112 119.170 8.880 10.437 1.00 0.00 N ATOM 1310 CA ASP A 112 120.553 9.337 10.771 1.00 0.00 C ATOM 1311 C ASP A 112 121.383 9.482 9.491 1.00 0.00 C ATOM 1312 O ASP A 112 121.548 8.540 8.737 1.00 0.00 O ATOM 1313 CB ASP A 112 121.125 8.236 11.671 1.00 0.00 C ATOM 1314 CG ASP A 112 121.123 8.705 13.128 1.00 0.00 C ATOM 1315 OD1 ASP A 112 120.217 9.435 13.494 1.00 0.00 O ATOM 1316 OD2 ASP A 112 122.027 8.324 13.853 1.00 0.00 O ATOM 0 H ASP A 112 119.078 7.880 10.257 1.00 0.00 H new ATOM 0 HA ASP A 112 120.564 10.309 11.264 1.00 0.00 H new ATOM 0 HB2 ASP A 112 120.532 7.327 11.571 1.00 0.00 H new ATOM 0 HB3 ASP A 112 122.140 7.990 11.360 1.00 0.00 H new ATOM 1321 N VAL A 113 121.890 10.664 9.235 1.00 0.00 N ATOM 1322 CA VAL A 113 122.701 10.892 7.992 1.00 0.00 C ATOM 1323 C VAL A 113 123.909 9.921 7.930 1.00 0.00 C ATOM 1324 O VAL A 113 123.851 8.929 7.231 1.00 0.00 O ATOM 1325 CB VAL A 113 123.110 12.397 7.999 1.00 0.00 C ATOM 1326 CG1 VAL A 113 123.618 12.860 9.378 1.00 0.00 C ATOM 1327 CG2 VAL A 113 124.195 12.655 6.940 1.00 0.00 C ATOM 0 H VAL A 113 121.778 11.483 9.832 1.00 0.00 H new ATOM 0 HA VAL A 113 122.130 10.679 7.089 1.00 0.00 H new ATOM 0 HB VAL A 113 122.214 12.973 7.765 1.00 0.00 H new ATOM 0 HG11 VAL A 113 123.890 13.914 9.330 1.00 0.00 H new ATOM 0 HG12 VAL A 113 122.832 12.721 10.121 1.00 0.00 H new ATOM 0 HG13 VAL A 113 124.492 12.272 9.660 1.00 0.00 H new ATOM 0 HG21 VAL A 113 124.473 13.709 6.953 1.00 0.00 H new ATOM 0 HG22 VAL A 113 125.071 12.046 7.161 1.00 0.00 H new ATOM 0 HG23 VAL A 113 123.811 12.394 5.954 1.00 0.00 H new ATOM 1337 N ILE A 114 124.992 10.186 8.636 1.00 0.00 N ATOM 1338 CA ILE A 114 126.183 9.269 8.592 1.00 0.00 C ATOM 1339 C ILE A 114 126.643 9.059 7.129 1.00 0.00 C ATOM 1340 O ILE A 114 126.073 8.257 6.416 1.00 0.00 O ATOM 1341 CB ILE A 114 125.707 7.952 9.248 1.00 0.00 C ATOM 1342 CG1 ILE A 114 125.631 8.146 10.766 1.00 0.00 C ATOM 1343 CG2 ILE A 114 126.689 6.809 8.952 1.00 0.00 C ATOM 1344 CD1 ILE A 114 124.406 8.988 11.124 1.00 0.00 C ATOM 0 H ILE A 114 125.100 11.000 9.241 1.00 0.00 H new ATOM 0 HA ILE A 114 127.046 9.675 9.120 1.00 0.00 H new ATOM 0 HB ILE A 114 124.729 7.697 8.841 1.00 0.00 H new ATOM 0 HG12 ILE A 114 125.575 7.177 11.262 1.00 0.00 H new ATOM 0 HG13 ILE A 114 126.537 8.636 11.124 1.00 0.00 H new ATOM 0 HG21 ILE A 114 126.334 5.893 9.423 1.00 0.00 H new ATOM 0 HG22 ILE A 114 126.759 6.659 7.875 1.00 0.00 H new ATOM 0 HG23 ILE A 114 127.672 7.063 9.348 1.00 0.00 H new ATOM 0 HD11 ILE A 114 124.359 9.121 12.205 1.00 0.00 H new ATOM 0 HD12 ILE A 114 124.481 9.962 10.641 1.00 0.00 H new ATOM 0 HD13 ILE A 114 123.504 8.481 10.782 1.00 0.00 H new ATOM 1356 N PRO A 115 127.668 9.783 6.726 1.00 0.00 N ATOM 1357 CA PRO A 115 128.183 9.649 5.339 1.00 0.00 C ATOM 1358 C PRO A 115 128.876 8.297 5.150 1.00 0.00 C ATOM 1359 O PRO A 115 129.203 7.617 6.105 1.00 0.00 O ATOM 1360 CB PRO A 115 129.183 10.796 5.209 1.00 0.00 C ATOM 1361 CG PRO A 115 129.612 11.092 6.609 1.00 0.00 C ATOM 1362 CD PRO A 115 128.439 10.775 7.497 1.00 0.00 C ATOM 0 HA PRO A 115 127.395 9.692 4.588 1.00 0.00 H new ATOM 0 HB2 PRO A 115 130.032 10.511 4.587 1.00 0.00 H new ATOM 0 HB3 PRO A 115 128.725 11.669 4.743 1.00 0.00 H new ATOM 0 HG2 PRO A 115 130.479 10.491 6.883 1.00 0.00 H new ATOM 0 HG3 PRO A 115 129.904 12.137 6.712 1.00 0.00 H new ATOM 0 HD2 PRO A 115 128.762 10.372 8.457 1.00 0.00 H new ATOM 0 HD3 PRO A 115 127.846 11.665 7.709 1.00 0.00 H new ATOM 1370 N VAL A 116 129.099 7.905 3.922 1.00 0.00 N ATOM 1371 CA VAL A 116 129.769 6.598 3.649 1.00 0.00 C ATOM 1372 C VAL A 116 130.754 6.755 2.486 1.00 0.00 C ATOM 1373 O VAL A 116 130.472 7.429 1.513 1.00 0.00 O ATOM 1374 CB VAL A 116 128.633 5.638 3.276 1.00 0.00 C ATOM 1375 CG1 VAL A 116 129.201 4.248 2.981 1.00 0.00 C ATOM 1376 CG2 VAL A 116 127.643 5.539 4.441 1.00 0.00 C ATOM 0 H VAL A 116 128.844 8.438 3.091 1.00 0.00 H new ATOM 0 HA VAL A 116 130.339 6.232 4.503 1.00 0.00 H new ATOM 0 HB VAL A 116 128.124 6.017 2.390 1.00 0.00 H new ATOM 0 HG11 VAL A 116 128.388 3.571 2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 116 129.905 4.311 2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 116 129.715 3.870 3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 116 126.836 4.857 4.175 1.00 0.00 H new ATOM 0 HG22 VAL A 116 128.158 5.165 5.326 1.00 0.00 H new ATOM 0 HG23 VAL A 116 127.230 6.525 4.652 1.00 0.00 H new ATOM 1386 N ARG A 117 131.904 6.137 2.582 1.00 0.00 N ATOM 1387 CA ARG A 117 132.911 6.246 1.485 1.00 0.00 C ATOM 1388 C ARG A 117 132.753 5.077 0.507 1.00 0.00 C ATOM 1389 O ARG A 117 132.341 3.996 0.883 1.00 0.00 O ATOM 1390 CB ARG A 117 134.270 6.188 2.183 1.00 0.00 C ATOM 1391 CG ARG A 117 135.347 6.747 1.253 1.00 0.00 C ATOM 1392 CD ARG A 117 135.165 8.261 1.112 1.00 0.00 C ATOM 1393 NE ARG A 117 136.484 8.765 0.622 1.00 0.00 N ATOM 1394 CZ ARG A 117 136.856 10.015 0.817 1.00 0.00 C ATOM 1395 NH1 ARG A 117 136.014 10.917 1.267 1.00 0.00 N ATOM 1396 NH2 ARG A 117 138.085 10.364 0.554 1.00 0.00 N ATOM 0 H ARG A 117 132.189 5.561 3.374 1.00 0.00 H new ATOM 0 HA ARG A 117 132.794 7.162 0.905 1.00 0.00 H new ATOM 0 HB2 ARG A 117 134.240 6.763 3.108 1.00 0.00 H new ATOM 0 HB3 ARG A 117 134.507 5.159 2.454 1.00 0.00 H new ATOM 0 HG2 ARG A 117 136.337 6.525 1.651 1.00 0.00 H new ATOM 0 HG3 ARG A 117 135.282 6.270 0.275 1.00 0.00 H new ATOM 0 HD2 ARG A 117 134.366 8.499 0.410 1.00 0.00 H new ATOM 0 HD3 ARG A 117 134.898 8.717 2.065 1.00 0.00 H new ATOM 0 HE ARG A 117 137.109 8.129 0.127 1.00 0.00 H new ATOM 0 HH11 ARG A 117 135.050 10.656 1.473 1.00 0.00 H new ATOM 0 HH12 ARG A 117 136.324 11.878 1.410 1.00 0.00 H new ATOM 0 HH21 ARG A 117 138.747 9.673 0.201 1.00 0.00 H new ATOM 0 HH22 ARG A 117 138.384 11.328 0.701 1.00 0.00 H new ATOM 1410 N ARG A 118 133.074 5.291 -0.743 1.00 0.00 N ATOM 1411 CA ARG A 118 132.941 4.199 -1.754 1.00 0.00 C ATOM 1412 C ARG A 118 134.091 3.196 -1.619 1.00 0.00 C ATOM 1413 O ARG A 118 135.200 3.550 -1.265 1.00 0.00 O ATOM 1414 CB ARG A 118 133.001 4.904 -3.112 1.00 0.00 C ATOM 1415 CG ARG A 118 132.811 3.876 -4.231 1.00 0.00 C ATOM 1416 CD ARG A 118 132.719 4.596 -5.578 1.00 0.00 C ATOM 1417 NE ARG A 118 132.705 3.507 -6.605 1.00 0.00 N ATOM 1418 CZ ARG A 118 132.855 3.775 -7.887 1.00 0.00 C ATOM 1419 NH1 ARG A 118 132.825 5.007 -8.338 1.00 0.00 N ATOM 1420 NH2 ARG A 118 133.036 2.791 -8.726 1.00 0.00 N ATOM 0 H ARG A 118 133.423 6.177 -1.108 1.00 0.00 H new ATOM 0 HA ARG A 118 132.017 3.635 -1.626 1.00 0.00 H new ATOM 0 HB2 ARG A 118 132.226 5.669 -3.171 1.00 0.00 H new ATOM 0 HB3 ARG A 118 133.959 5.411 -3.228 1.00 0.00 H new ATOM 0 HG2 ARG A 118 133.644 3.173 -4.239 1.00 0.00 H new ATOM 0 HG3 ARG A 118 131.906 3.295 -4.055 1.00 0.00 H new ATOM 0 HD2 ARG A 118 131.817 5.205 -5.638 1.00 0.00 H new ATOM 0 HD3 ARG A 118 133.567 5.265 -5.725 1.00 0.00 H new ATOM 0 HE ARG A 118 132.577 2.540 -6.307 1.00 0.00 H new ATOM 0 HH11 ARG A 118 132.683 5.783 -7.692 1.00 0.00 H new ATOM 0 HH12 ARG A 118 132.944 5.188 -9.335 1.00 0.00 H new ATOM 0 HH21 ARG A 118 133.060 1.829 -8.387 1.00 0.00 H new ATOM 0 HH22 ARG A 118 133.153 2.984 -9.721 1.00 0.00 H new ATOM 1434 N ARG A 119 133.828 1.945 -1.904 1.00 0.00 N ATOM 1435 CA ARG A 119 134.892 0.903 -1.803 1.00 0.00 C ATOM 1436 C ARG A 119 134.564 -0.266 -2.739 1.00 0.00 C ATOM 1437 O ARG A 119 134.536 -1.411 -2.332 1.00 0.00 O ATOM 1438 CB ARG A 119 134.869 0.452 -0.338 1.00 0.00 C ATOM 1439 CG ARG A 119 136.071 -0.450 -0.045 1.00 0.00 C ATOM 1440 CD ARG A 119 137.370 0.344 -0.211 1.00 0.00 C ATOM 1441 NE ARG A 119 138.450 -0.581 0.249 1.00 0.00 N ATOM 1442 CZ ARG A 119 138.792 -0.659 1.519 1.00 0.00 C ATOM 1443 NH1 ARG A 119 138.075 -0.087 2.458 1.00 0.00 N ATOM 1444 NH2 ARG A 119 139.864 -1.324 1.851 1.00 0.00 N ATOM 0 H ARG A 119 132.916 1.600 -2.204 1.00 0.00 H new ATOM 0 HA ARG A 119 135.874 1.277 -2.092 1.00 0.00 H new ATOM 0 HB2 ARG A 119 134.889 1.322 0.319 1.00 0.00 H new ATOM 0 HB3 ARG A 119 133.943 -0.084 -0.129 1.00 0.00 H new ATOM 0 HG2 ARG A 119 136.002 -0.844 0.969 1.00 0.00 H new ATOM 0 HG3 ARG A 119 136.068 -1.305 -0.721 1.00 0.00 H new ATOM 0 HD2 ARG A 119 137.521 0.642 -1.249 1.00 0.00 H new ATOM 0 HD3 ARG A 119 137.353 1.257 0.383 1.00 0.00 H new ATOM 0 HE ARG A 119 138.933 -1.164 -0.435 1.00 0.00 H new ATOM 0 HH11 ARG A 119 137.232 0.432 2.211 1.00 0.00 H new ATOM 0 HH12 ARG A 119 138.360 -0.162 3.434 1.00 0.00 H new ATOM 0 HH21 ARG A 119 140.427 -1.776 1.131 1.00 0.00 H new ATOM 0 HH22 ARG A 119 140.139 -1.392 2.831 1.00 0.00 H new ATOM 1458 N GLY A 120 134.310 0.023 -3.992 1.00 0.00 N ATOM 1459 CA GLY A 120 133.979 -1.061 -4.966 1.00 0.00 C ATOM 1460 C GLY A 120 132.654 -0.737 -5.661 1.00 0.00 C ATOM 1461 O GLY A 120 131.958 0.187 -5.285 1.00 0.00 O ATOM 0 H GLY A 120 134.318 0.965 -4.382 1.00 0.00 H new ATOM 0 HA2 GLY A 120 134.775 -1.156 -5.704 1.00 0.00 H new ATOM 0 HA3 GLY A 120 133.906 -2.018 -4.450 1.00 0.00 H new ATOM 1465 N ASP A 121 132.300 -1.493 -6.673 1.00 0.00 N ATOM 1466 CA ASP A 121 131.015 -1.232 -7.399 1.00 0.00 C ATOM 1467 C ASP A 121 129.833 -1.356 -6.432 1.00 0.00 C ATOM 1468 O ASP A 121 129.082 -0.420 -6.233 1.00 0.00 O ATOM 1469 CB ASP A 121 130.936 -2.312 -8.480 1.00 0.00 C ATOM 1470 CG ASP A 121 131.993 -2.039 -9.552 1.00 0.00 C ATOM 1471 OD1 ASP A 121 132.532 -2.998 -10.082 1.00 0.00 O ATOM 1472 OD2 ASP A 121 132.246 -0.877 -9.828 1.00 0.00 O ATOM 0 H ASP A 121 132.845 -2.279 -7.028 1.00 0.00 H new ATOM 0 HA ASP A 121 130.979 -0.230 -7.826 1.00 0.00 H new ATOM 0 HB2 ASP A 121 131.096 -3.296 -8.039 1.00 0.00 H new ATOM 0 HB3 ASP A 121 129.942 -2.321 -8.928 1.00 0.00 H new ATOM 1477 N SER A 122 129.675 -2.502 -5.822 1.00 0.00 N ATOM 1478 CA SER A 122 128.555 -2.696 -4.853 1.00 0.00 C ATOM 1479 C SER A 122 129.116 -2.872 -3.436 1.00 0.00 C ATOM 1480 O SER A 122 128.481 -3.454 -2.576 1.00 0.00 O ATOM 1481 CB SER A 122 127.847 -3.969 -5.313 1.00 0.00 C ATOM 1482 OG SER A 122 127.198 -3.723 -6.554 1.00 0.00 O ATOM 0 H SER A 122 130.276 -3.315 -5.954 1.00 0.00 H new ATOM 0 HA SER A 122 127.876 -1.844 -4.826 1.00 0.00 H new ATOM 0 HB2 SER A 122 128.567 -4.781 -5.420 1.00 0.00 H new ATOM 0 HB3 SER A 122 127.120 -4.285 -4.565 1.00 0.00 H new ATOM 0 HG SER A 122 126.744 -4.538 -6.853 1.00 0.00 H new ATOM 1488 N ARG A 123 130.303 -2.375 -3.193 1.00 0.00 N ATOM 1489 CA ARG A 123 130.924 -2.508 -1.845 1.00 0.00 C ATOM 1490 C ARG A 123 131.345 -1.128 -1.328 1.00 0.00 C ATOM 1491 O ARG A 123 131.890 -0.325 -2.062 1.00 0.00 O ATOM 1492 CB ARG A 123 132.145 -3.395 -2.080 1.00 0.00 C ATOM 1493 CG ARG A 123 132.774 -3.772 -0.740 1.00 0.00 C ATOM 1494 CD ARG A 123 132.217 -5.121 -0.277 1.00 0.00 C ATOM 1495 NE ARG A 123 131.210 -4.788 0.775 1.00 0.00 N ATOM 1496 CZ ARG A 123 131.576 -4.293 1.940 1.00 0.00 C ATOM 1497 NH1 ARG A 123 132.836 -4.256 2.304 1.00 0.00 N ATOM 1498 NH2 ARG A 123 130.662 -3.834 2.747 1.00 0.00 N ATOM 0 H ARG A 123 130.871 -1.879 -3.879 1.00 0.00 H new ATOM 0 HA ARG A 123 130.247 -2.929 -1.102 1.00 0.00 H new ATOM 0 HB2 ARG A 123 131.854 -4.295 -2.622 1.00 0.00 H new ATOM 0 HB3 ARG A 123 132.873 -2.871 -2.700 1.00 0.00 H new ATOM 0 HG2 ARG A 123 133.858 -3.828 -0.838 1.00 0.00 H new ATOM 0 HG3 ARG A 123 132.561 -3.004 0.003 1.00 0.00 H new ATOM 0 HD2 ARG A 123 131.758 -5.662 -1.104 1.00 0.00 H new ATOM 0 HD3 ARG A 123 133.007 -5.758 0.121 1.00 0.00 H new ATOM 0 HE ARG A 123 130.220 -4.947 0.588 1.00 0.00 H new ATOM 0 HH11 ARG A 123 133.558 -4.616 1.680 1.00 0.00 H new ATOM 0 HH12 ARG A 123 133.094 -3.868 3.211 1.00 0.00 H new ATOM 0 HH21 ARG A 123 129.680 -3.861 2.473 1.00 0.00 H new ATOM 0 HH22 ARG A 123 130.929 -3.448 3.652 1.00 0.00 H new ATOM 1512 N GLY A 124 131.088 -0.844 -0.075 1.00 0.00 N ATOM 1513 CA GLY A 124 131.466 0.488 0.486 1.00 0.00 C ATOM 1514 C GLY A 124 131.954 0.325 1.927 1.00 0.00 C ATOM 1515 O GLY A 124 131.815 -0.727 2.523 1.00 0.00 O ATOM 0 H GLY A 124 130.633 -1.477 0.583 1.00 0.00 H new ATOM 0 HA2 GLY A 124 132.248 0.941 -0.123 1.00 0.00 H new ATOM 0 HA3 GLY A 124 130.609 1.161 0.457 1.00 0.00 H new ATOM 1519 N SER A 125 132.521 1.362 2.490 1.00 0.00 N ATOM 1520 CA SER A 125 133.019 1.283 3.896 1.00 0.00 C ATOM 1521 C SER A 125 132.154 2.159 4.808 1.00 0.00 C ATOM 1522 O SER A 125 131.456 3.043 4.350 1.00 0.00 O ATOM 1523 CB SER A 125 134.452 1.809 3.844 1.00 0.00 C ATOM 1524 OG SER A 125 134.471 3.053 3.158 1.00 0.00 O ATOM 0 H SER A 125 132.661 2.264 2.034 1.00 0.00 H new ATOM 0 HA SER A 125 132.977 0.269 4.294 1.00 0.00 H new ATOM 0 HB2 SER A 125 134.843 1.932 4.854 1.00 0.00 H new ATOM 0 HB3 SER A 125 135.097 1.091 3.337 1.00 0.00 H new ATOM 0 HG SER A 125 135.380 3.239 2.843 1.00 0.00 H new ATOM 1530 N LEU A 126 132.195 1.912 6.092 1.00 0.00 N ATOM 1531 CA LEU A 126 131.371 2.718 7.043 1.00 0.00 C ATOM 1532 C LEU A 126 132.257 3.687 7.833 1.00 0.00 C ATOM 1533 O LEU A 126 133.227 3.291 8.450 1.00 0.00 O ATOM 1534 CB LEU A 126 130.736 1.685 7.975 1.00 0.00 C ATOM 1535 CG LEU A 126 129.564 2.317 8.735 1.00 0.00 C ATOM 1536 CD1 LEU A 126 128.478 2.755 7.744 1.00 0.00 C ATOM 1537 CD2 LEU A 126 128.985 1.292 9.721 1.00 0.00 C ATOM 0 H LEU A 126 132.765 1.185 6.524 1.00 0.00 H new ATOM 0 HA LEU A 126 130.625 3.327 6.533 1.00 0.00 H new ATOM 0 HB2 LEU A 126 130.387 0.828 7.398 1.00 0.00 H new ATOM 0 HB3 LEU A 126 131.479 1.313 8.680 1.00 0.00 H new ATOM 0 HG LEU A 126 129.916 3.190 9.284 1.00 0.00 H new ATOM 0 HD11 LEU A 126 127.647 3.203 8.289 1.00 0.00 H new ATOM 0 HD12 LEU A 126 128.893 3.485 7.049 1.00 0.00 H new ATOM 0 HD13 LEU A 126 128.121 1.888 7.188 1.00 0.00 H new ATOM 0 HD21 LEU A 126 128.151 1.739 10.263 1.00 0.00 H new ATOM 0 HD22 LEU A 126 128.634 0.418 9.173 1.00 0.00 H new ATOM 0 HD23 LEU A 126 129.758 0.991 10.428 1.00 0.00 H new ATOM 1549 N LEU A 127 131.924 4.954 7.817 1.00 0.00 N ATOM 1550 CA LEU A 127 132.739 5.958 8.569 1.00 0.00 C ATOM 1551 C LEU A 127 132.664 5.674 10.070 1.00 0.00 C ATOM 1552 O LEU A 127 133.672 5.487 10.727 1.00 0.00 O ATOM 1553 CB LEU A 127 132.105 7.316 8.251 1.00 0.00 C ATOM 1554 CG LEU A 127 133.177 8.412 8.311 1.00 0.00 C ATOM 1555 CD1 LEU A 127 133.639 8.758 6.894 1.00 0.00 C ATOM 1556 CD2 LEU A 127 132.593 9.663 8.973 1.00 0.00 C ATOM 0 H LEU A 127 131.123 5.337 7.315 1.00 0.00 H new ATOM 0 HA LEU A 127 133.791 5.927 8.286 1.00 0.00 H new ATOM 0 HB2 LEU A 127 131.649 7.293 7.261 1.00 0.00 H new ATOM 0 HB3 LEU A 127 131.309 7.533 8.963 1.00 0.00 H new ATOM 0 HG LEU A 127 134.026 8.053 8.893 1.00 0.00 H new ATOM 0 HD11 LEU A 127 134.400 9.537 6.940 1.00 0.00 H new ATOM 0 HD12 LEU A 127 134.057 7.870 6.420 1.00 0.00 H new ATOM 0 HD13 LEU A 127 132.790 9.115 6.311 1.00 0.00 H new ATOM 0 HD21 LEU A 127 133.355 10.441 9.016 1.00 0.00 H new ATOM 0 HD22 LEU A 127 131.742 10.019 8.392 1.00 0.00 H new ATOM 0 HD23 LEU A 127 132.265 9.420 9.984 1.00 0.00 H new ATOM 1568 N SER A 128 131.474 5.638 10.614 1.00 0.00 N ATOM 1569 CA SER A 128 131.318 5.363 12.074 1.00 0.00 C ATOM 1570 C SER A 128 131.060 3.863 12.299 1.00 0.00 C ATOM 1571 O SER A 128 130.024 3.362 11.908 1.00 0.00 O ATOM 1572 CB SER A 128 130.101 6.184 12.500 1.00 0.00 C ATOM 1573 OG SER A 128 129.919 6.058 13.904 1.00 0.00 O ATOM 0 H SER A 128 130.601 5.788 10.108 1.00 0.00 H new ATOM 0 HA SER A 128 132.208 5.626 12.646 1.00 0.00 H new ATOM 0 HB2 SER A 128 130.242 7.231 12.232 1.00 0.00 H new ATOM 0 HB3 SER A 128 129.212 5.838 11.974 1.00 0.00 H new ATOM 0 HG SER A 128 129.140 6.584 14.181 1.00 0.00 H new ATOM 1579 N PRO A 129 132.005 3.181 12.918 1.00 0.00 N ATOM 1580 CA PRO A 129 131.834 1.732 13.168 1.00 0.00 C ATOM 1581 C PRO A 129 130.802 1.489 14.272 1.00 0.00 C ATOM 1582 O PRO A 129 131.062 1.720 15.438 1.00 0.00 O ATOM 1583 CB PRO A 129 133.218 1.267 13.604 1.00 0.00 C ATOM 1584 CG PRO A 129 133.880 2.487 14.154 1.00 0.00 C ATOM 1585 CD PRO A 129 133.289 3.671 13.434 1.00 0.00 C ATOM 0 HA PRO A 129 131.469 1.195 12.293 1.00 0.00 H new ATOM 0 HB2 PRO A 129 133.151 0.481 14.356 1.00 0.00 H new ATOM 0 HB3 PRO A 129 133.780 0.858 12.764 1.00 0.00 H new ATOM 0 HG2 PRO A 129 133.712 2.566 15.228 1.00 0.00 H new ATOM 0 HG3 PRO A 129 134.958 2.442 14.002 1.00 0.00 H new ATOM 0 HD2 PRO A 129 133.150 4.517 14.107 1.00 0.00 H new ATOM 0 HD3 PRO A 129 133.938 4.010 12.627 1.00 0.00 H new ATOM 1593 N ARG A 130 129.636 1.017 13.909 1.00 0.00 N ATOM 1594 CA ARG A 130 128.580 0.746 14.929 1.00 0.00 C ATOM 1595 C ARG A 130 128.215 -0.746 14.920 1.00 0.00 C ATOM 1596 O ARG A 130 128.442 -1.422 13.939 1.00 0.00 O ATOM 1597 CB ARG A 130 127.383 1.592 14.496 1.00 0.00 C ATOM 1598 CG ARG A 130 127.723 3.075 14.647 1.00 0.00 C ATOM 1599 CD ARG A 130 126.756 3.908 13.800 1.00 0.00 C ATOM 1600 NE ARG A 130 127.058 3.530 12.384 1.00 0.00 N ATOM 1601 CZ ARG A 130 126.231 3.826 11.402 1.00 0.00 C ATOM 1602 NH1 ARG A 130 125.025 4.288 11.633 1.00 0.00 N ATOM 1603 NH2 ARG A 130 126.624 3.655 10.171 1.00 0.00 N ATOM 0 H ARG A 130 129.370 0.807 12.947 1.00 0.00 H new ATOM 0 HA ARG A 130 128.906 0.992 15.940 1.00 0.00 H new ATOM 0 HB2 ARG A 130 127.124 1.371 13.460 1.00 0.00 H new ATOM 0 HB3 ARG A 130 126.511 1.345 15.102 1.00 0.00 H new ATOM 0 HG2 ARG A 130 127.654 3.370 15.694 1.00 0.00 H new ATOM 0 HG3 ARG A 130 128.750 3.258 14.331 1.00 0.00 H new ATOM 0 HD2 ARG A 130 125.719 3.689 14.054 1.00 0.00 H new ATOM 0 HD3 ARG A 130 126.906 4.975 13.964 1.00 0.00 H new ATOM 0 HE ARG A 130 127.923 3.032 12.174 1.00 0.00 H new ATOM 0 HH11 ARG A 130 124.707 4.426 12.592 1.00 0.00 H new ATOM 0 HH12 ARG A 130 124.406 4.509 10.853 1.00 0.00 H new ATOM 0 HH21 ARG A 130 127.560 3.297 9.979 1.00 0.00 H new ATOM 0 HH22 ARG A 130 125.996 3.879 9.399 1.00 0.00 H new ATOM 1617 N PRO A 131 127.660 -1.220 16.014 1.00 0.00 N ATOM 1618 CA PRO A 131 127.275 -2.652 16.099 1.00 0.00 C ATOM 1619 C PRO A 131 126.054 -2.937 15.219 1.00 0.00 C ATOM 1620 O PRO A 131 125.219 -2.078 15.008 1.00 0.00 O ATOM 1621 CB PRO A 131 126.937 -2.849 17.575 1.00 0.00 C ATOM 1622 CG PRO A 131 126.559 -1.491 18.070 1.00 0.00 C ATOM 1623 CD PRO A 131 127.339 -0.494 17.255 1.00 0.00 C ATOM 0 HA PRO A 131 128.061 -3.324 15.752 1.00 0.00 H new ATOM 0 HB2 PRO A 131 126.118 -3.557 17.701 1.00 0.00 H new ATOM 0 HB3 PRO A 131 127.790 -3.246 18.125 1.00 0.00 H new ATOM 0 HG2 PRO A 131 125.487 -1.325 17.960 1.00 0.00 H new ATOM 0 HG3 PRO A 131 126.791 -1.388 19.130 1.00 0.00 H new ATOM 0 HD2 PRO A 131 126.752 0.402 17.053 1.00 0.00 H new ATOM 0 HD3 PRO A 131 128.242 -0.173 17.775 1.00 0.00 H new ATOM 1631 N VAL A 132 125.941 -4.142 14.709 1.00 0.00 N ATOM 1632 CA VAL A 132 124.766 -4.498 13.843 1.00 0.00 C ATOM 1633 C VAL A 132 123.455 -4.171 14.582 1.00 0.00 C ATOM 1634 O VAL A 132 122.451 -3.872 13.968 1.00 0.00 O ATOM 1635 CB VAL A 132 124.907 -6.017 13.584 1.00 0.00 C ATOM 1636 CG1 VAL A 132 123.637 -6.586 12.921 1.00 0.00 C ATOM 1637 CG2 VAL A 132 126.112 -6.267 12.662 1.00 0.00 C ATOM 0 H VAL A 132 126.612 -4.896 14.855 1.00 0.00 H new ATOM 0 HA VAL A 132 124.743 -3.938 12.908 1.00 0.00 H new ATOM 0 HB VAL A 132 125.053 -6.517 14.542 1.00 0.00 H new ATOM 0 HG11 VAL A 132 123.763 -7.655 12.750 1.00 0.00 H new ATOM 0 HG12 VAL A 132 122.780 -6.422 13.575 1.00 0.00 H new ATOM 0 HG13 VAL A 132 123.468 -6.084 11.968 1.00 0.00 H new ATOM 0 HG21 VAL A 132 126.214 -7.337 12.478 1.00 0.00 H new ATOM 0 HG22 VAL A 132 125.959 -5.749 11.715 1.00 0.00 H new ATOM 0 HG23 VAL A 132 127.018 -5.893 13.138 1.00 0.00 H new ATOM 1647 N SER A 133 123.467 -4.236 15.890 1.00 0.00 N ATOM 1648 CA SER A 133 122.225 -3.943 16.675 1.00 0.00 C ATOM 1649 C SER A 133 121.725 -2.517 16.411 1.00 0.00 C ATOM 1650 O SER A 133 120.544 -2.297 16.211 1.00 0.00 O ATOM 1651 CB SER A 133 122.632 -4.099 18.141 1.00 0.00 C ATOM 1652 OG SER A 133 121.499 -3.871 18.970 1.00 0.00 O ATOM 0 H SER A 133 124.284 -4.480 16.450 1.00 0.00 H new ATOM 0 HA SER A 133 121.411 -4.612 16.397 1.00 0.00 H new ATOM 0 HB2 SER A 133 123.029 -5.099 18.316 1.00 0.00 H new ATOM 0 HB3 SER A 133 123.425 -3.393 18.387 1.00 0.00 H new ATOM 0 HG SER A 133 121.756 -3.972 19.910 1.00 0.00 H new ATOM 1658 N TYR A 134 122.608 -1.549 16.409 1.00 0.00 N ATOM 1659 CA TYR A 134 122.175 -0.136 16.160 1.00 0.00 C ATOM 1660 C TYR A 134 121.686 0.010 14.718 1.00 0.00 C ATOM 1661 O TYR A 134 120.727 0.705 14.442 1.00 0.00 O ATOM 1662 CB TYR A 134 123.425 0.717 16.394 1.00 0.00 C ATOM 1663 CG TYR A 134 123.079 2.175 16.228 1.00 0.00 C ATOM 1664 CD1 TYR A 134 122.486 2.883 17.280 1.00 0.00 C ATOM 1665 CD2 TYR A 134 123.351 2.816 15.019 1.00 0.00 C ATOM 1666 CE1 TYR A 134 122.164 4.238 17.117 1.00 0.00 C ATOM 1667 CE2 TYR A 134 123.032 4.169 14.854 1.00 0.00 C ATOM 1668 CZ TYR A 134 122.439 4.880 15.904 1.00 0.00 C ATOM 1669 OH TYR A 134 122.122 6.213 15.741 1.00 0.00 O ATOM 0 H TYR A 134 123.608 -1.674 16.568 1.00 0.00 H new ATOM 0 HA TYR A 134 121.355 0.167 16.811 1.00 0.00 H new ATOM 0 HB2 TYR A 134 123.818 0.538 17.395 1.00 0.00 H new ATOM 0 HB3 TYR A 134 124.207 0.436 15.689 1.00 0.00 H new ATOM 0 HD1 TYR A 134 122.277 2.386 18.216 1.00 0.00 H new ATOM 0 HD2 TYR A 134 123.808 2.267 14.209 1.00 0.00 H new ATOM 0 HE1 TYR A 134 121.704 4.786 17.926 1.00 0.00 H new ATOM 0 HE2 TYR A 134 123.243 4.664 13.918 1.00 0.00 H new ATOM 0 HH TYR A 134 122.300 6.481 14.815 1.00 0.00 H new ATOM 1679 N LEU A 135 122.347 -0.643 13.803 1.00 0.00 N ATOM 1680 CA LEU A 135 121.949 -0.563 12.367 1.00 0.00 C ATOM 1681 C LEU A 135 120.979 -1.704 12.021 1.00 0.00 C ATOM 1682 O LEU A 135 120.795 -2.040 10.866 1.00 0.00 O ATOM 1683 CB LEU A 135 123.278 -0.712 11.609 1.00 0.00 C ATOM 1684 CG LEU A 135 123.089 -0.531 10.091 1.00 0.00 C ATOM 1685 CD1 LEU A 135 122.395 0.801 9.784 1.00 0.00 C ATOM 1686 CD2 LEU A 135 124.463 -0.539 9.416 1.00 0.00 C ATOM 0 H LEU A 135 123.156 -1.236 13.990 1.00 0.00 H new ATOM 0 HA LEU A 135 121.431 0.362 12.114 1.00 0.00 H new ATOM 0 HB2 LEU A 135 123.992 0.024 11.978 1.00 0.00 H new ATOM 0 HB3 LEU A 135 123.703 -1.696 11.809 1.00 0.00 H new ATOM 0 HG LEU A 135 122.470 -1.345 9.715 1.00 0.00 H new ATOM 0 HD11 LEU A 135 122.272 0.907 8.706 1.00 0.00 H new ATOM 0 HD12 LEU A 135 121.417 0.821 10.264 1.00 0.00 H new ATOM 0 HD13 LEU A 135 123.002 1.623 10.163 1.00 0.00 H new ATOM 0 HD21 LEU A 135 124.341 -0.411 8.340 1.00 0.00 H new ATOM 0 HD22 LEU A 135 125.068 0.277 9.812 1.00 0.00 H new ATOM 0 HD23 LEU A 135 124.960 -1.488 9.615 1.00 0.00 H new ATOM 1698 N LYS A 136 120.361 -2.314 13.010 1.00 0.00 N ATOM 1699 CA LYS A 136 119.424 -3.438 12.716 1.00 0.00 C ATOM 1700 C LYS A 136 118.051 -2.948 12.335 1.00 0.00 C ATOM 1701 O LYS A 136 117.357 -2.293 13.089 1.00 0.00 O ATOM 1702 CB LYS A 136 119.394 -4.315 13.965 1.00 0.00 C ATOM 1703 CG LYS A 136 119.161 -5.762 13.534 1.00 0.00 C ATOM 1704 CD LYS A 136 119.589 -6.712 14.653 1.00 0.00 C ATOM 1705 CE LYS A 136 119.867 -8.096 14.062 1.00 0.00 C ATOM 1706 NZ LYS A 136 118.605 -8.860 14.262 1.00 0.00 N ATOM 0 H LYS A 136 120.467 -2.081 13.997 1.00 0.00 H new ATOM 0 HA LYS A 136 119.767 -4.008 11.853 1.00 0.00 H new ATOM 0 HB2 LYS A 136 120.333 -4.229 14.511 1.00 0.00 H new ATOM 0 HB3 LYS A 136 118.602 -3.988 14.639 1.00 0.00 H new ATOM 0 HG2 LYS A 136 118.108 -5.915 13.297 1.00 0.00 H new ATOM 0 HG3 LYS A 136 119.726 -5.976 12.627 1.00 0.00 H new ATOM 0 HD2 LYS A 136 120.481 -6.330 15.149 1.00 0.00 H new ATOM 0 HD3 LYS A 136 118.807 -6.777 15.409 1.00 0.00 H new ATOM 0 HE2 LYS A 136 120.125 -8.029 13.005 1.00 0.00 H new ATOM 0 HE3 LYS A 136 120.705 -8.579 14.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 118.717 -9.821 13.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 118.388 -8.913 15.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 117.827 -8.380 13.767 1.00 0.00 H new ATOM 1720 N GLY A 137 117.671 -3.279 11.133 1.00 0.00 N ATOM 1721 CA GLY A 137 116.335 -2.854 10.625 1.00 0.00 C ATOM 1722 C GLY A 137 116.494 -1.642 9.710 1.00 0.00 C ATOM 1723 O GLY A 137 115.586 -0.846 9.558 1.00 0.00 O ATOM 0 H GLY A 137 118.229 -3.827 10.478 1.00 0.00 H new ATOM 0 HA2 GLY A 137 115.865 -3.673 10.081 1.00 0.00 H new ATOM 0 HA3 GLY A 137 115.679 -2.608 11.460 1.00 0.00 H new ATOM 1727 N SER A 138 117.640 -1.502 9.094 1.00 0.00 N ATOM 1728 CA SER A 138 117.863 -0.348 8.178 1.00 0.00 C ATOM 1729 C SER A 138 117.815 -0.815 6.720 1.00 0.00 C ATOM 1730 O SER A 138 118.311 -0.142 5.834 1.00 0.00 O ATOM 1731 CB SER A 138 119.256 0.172 8.530 1.00 0.00 C ATOM 1732 OG SER A 138 119.188 0.912 9.742 1.00 0.00 O ATOM 0 H SER A 138 118.431 -2.139 9.187 1.00 0.00 H new ATOM 0 HA SER A 138 117.101 0.423 8.289 1.00 0.00 H new ATOM 0 HB2 SER A 138 119.951 -0.661 8.637 1.00 0.00 H new ATOM 0 HB3 SER A 138 119.635 0.803 7.726 1.00 0.00 H new ATOM 0 HG SER A 138 119.337 0.311 10.501 1.00 0.00 H new ATOM 1738 N SER A 139 117.219 -1.958 6.458 1.00 0.00 N ATOM 1739 CA SER A 139 117.141 -2.451 5.051 1.00 0.00 C ATOM 1740 C SER A 139 116.104 -1.634 4.282 1.00 0.00 C ATOM 1741 O SER A 139 114.993 -1.444 4.739 1.00 0.00 O ATOM 1742 CB SER A 139 116.704 -3.910 5.156 1.00 0.00 C ATOM 1743 OG SER A 139 117.387 -4.531 6.238 1.00 0.00 O ATOM 0 H SER A 139 116.787 -2.564 7.156 1.00 0.00 H new ATOM 0 HA SER A 139 118.090 -2.357 4.523 1.00 0.00 H new ATOM 0 HB2 SER A 139 115.627 -3.968 5.310 1.00 0.00 H new ATOM 0 HB3 SER A 139 116.922 -4.434 4.225 1.00 0.00 H new ATOM 0 HG SER A 139 117.106 -5.467 6.308 1.00 0.00 H new ATOM 1749 N GLY A 140 116.463 -1.141 3.127 1.00 0.00 N ATOM 1750 CA GLY A 140 115.503 -0.323 2.330 1.00 0.00 C ATOM 1751 C GLY A 140 116.012 1.119 2.251 1.00 0.00 C ATOM 1752 O GLY A 140 115.715 1.835 1.314 1.00 0.00 O ATOM 0 H GLY A 140 117.381 -1.269 2.700 1.00 0.00 H new ATOM 0 HA2 GLY A 140 115.397 -0.739 1.328 1.00 0.00 H new ATOM 0 HA3 GLY A 140 114.516 -0.348 2.791 1.00 0.00 H new ATOM 1756 N GLY A 141 116.785 1.550 3.223 1.00 0.00 N ATOM 1757 CA GLY A 141 117.326 2.946 3.198 1.00 0.00 C ATOM 1758 C GLY A 141 118.130 3.148 1.900 1.00 0.00 C ATOM 1759 O GLY A 141 118.945 2.317 1.561 1.00 0.00 O ATOM 0 H GLY A 141 117.063 0.994 4.032 1.00 0.00 H new ATOM 0 HA2 GLY A 141 116.510 3.667 3.252 1.00 0.00 H new ATOM 0 HA3 GLY A 141 117.962 3.119 4.066 1.00 0.00 H new ATOM 1763 N PRO A 142 117.866 4.227 1.193 1.00 0.00 N ATOM 1764 CA PRO A 142 118.574 4.472 -0.079 1.00 0.00 C ATOM 1765 C PRO A 142 119.909 5.181 0.161 1.00 0.00 C ATOM 1766 O PRO A 142 120.107 5.835 1.169 1.00 0.00 O ATOM 1767 CB PRO A 142 117.618 5.382 -0.842 1.00 0.00 C ATOM 1768 CG PRO A 142 116.798 6.080 0.204 1.00 0.00 C ATOM 1769 CD PRO A 142 116.913 5.302 1.494 1.00 0.00 C ATOM 0 HA PRO A 142 118.815 3.552 -0.612 1.00 0.00 H new ATOM 0 HB2 PRO A 142 118.165 6.100 -1.454 1.00 0.00 H new ATOM 0 HB3 PRO A 142 116.984 4.806 -1.516 1.00 0.00 H new ATOM 0 HG2 PRO A 142 117.151 7.102 0.344 1.00 0.00 H new ATOM 0 HG3 PRO A 142 115.756 6.143 -0.110 1.00 0.00 H new ATOM 0 HD2 PRO A 142 117.271 5.933 2.307 1.00 0.00 H new ATOM 0 HD3 PRO A 142 115.948 4.901 1.803 1.00 0.00 H new ATOM 1777 N LEU A 143 120.817 5.064 -0.773 1.00 0.00 N ATOM 1778 CA LEU A 143 122.141 5.736 -0.635 1.00 0.00 C ATOM 1779 C LEU A 143 122.206 6.916 -1.606 1.00 0.00 C ATOM 1780 O LEU A 143 122.016 6.753 -2.796 1.00 0.00 O ATOM 1781 CB LEU A 143 123.171 4.671 -1.012 1.00 0.00 C ATOM 1782 CG LEU A 143 123.339 3.688 0.147 1.00 0.00 C ATOM 1783 CD1 LEU A 143 122.203 2.662 0.120 1.00 0.00 C ATOM 1784 CD2 LEU A 143 124.681 2.964 0.007 1.00 0.00 C ATOM 0 H LEU A 143 120.696 4.527 -1.632 1.00 0.00 H new ATOM 0 HA LEU A 143 122.318 6.123 0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 143 122.849 4.141 -1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 143 124.126 5.141 -1.245 1.00 0.00 H new ATOM 0 HG LEU A 143 123.312 4.232 1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 143 122.325 1.962 0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 143 121.246 3.176 0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 143 122.228 2.116 -0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 143 124.804 2.262 0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 143 124.705 2.421 -0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 143 125.491 3.693 0.027 1.00 0.00 H new ATOM 1796 N LEU A 144 122.458 8.101 -1.109 1.00 0.00 N ATOM 1797 CA LEU A 144 122.517 9.294 -2.006 1.00 0.00 C ATOM 1798 C LEU A 144 123.966 9.741 -2.223 1.00 0.00 C ATOM 1799 O LEU A 144 124.857 9.389 -1.475 1.00 0.00 O ATOM 1800 CB LEU A 144 121.730 10.381 -1.274 1.00 0.00 C ATOM 1801 CG LEU A 144 120.985 11.246 -2.291 1.00 0.00 C ATOM 1802 CD1 LEU A 144 119.768 10.483 -2.819 1.00 0.00 C ATOM 1803 CD2 LEU A 144 120.519 12.539 -1.616 1.00 0.00 C ATOM 0 H LEU A 144 122.625 8.293 -0.121 1.00 0.00 H new ATOM 0 HA LEU A 144 122.105 9.079 -2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 144 121.023 9.927 -0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 144 122.406 10.998 -0.682 1.00 0.00 H new ATOM 0 HG LEU A 144 121.652 11.485 -3.120 1.00 0.00 H new ATOM 0 HD11 LEU A 144 119.238 11.101 -3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 144 120.097 9.561 -3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 144 119.102 10.243 -1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 144 119.988 13.156 -2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 144 119.853 12.297 -0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 144 121.384 13.085 -1.239 1.00 0.00 H new ATOM 1815 N CYS A 145 124.190 10.525 -3.242 1.00 0.00 N ATOM 1816 CA CYS A 145 125.566 11.026 -3.531 1.00 0.00 C ATOM 1817 C CYS A 145 125.583 12.555 -3.363 1.00 0.00 C ATOM 1818 O CYS A 145 124.534 13.159 -3.250 1.00 0.00 O ATOM 1819 CB CYS A 145 125.839 10.597 -4.988 1.00 0.00 C ATOM 1820 SG CYS A 145 124.653 11.374 -6.119 1.00 0.00 S ATOM 0 H CYS A 145 123.472 10.843 -3.893 1.00 0.00 H new ATOM 0 HA CYS A 145 126.331 10.630 -2.863 1.00 0.00 H new ATOM 0 HB2 CYS A 145 126.854 10.876 -5.270 1.00 0.00 H new ATOM 0 HB3 CYS A 145 125.772 9.512 -5.072 1.00 0.00 H new ATOM 0 HG CYS A 145 124.329 10.531 -7.054 1.00 0.00 H new ATOM 1825 N PRO A 146 126.758 13.151 -3.348 1.00 0.00 N ATOM 1826 CA PRO A 146 126.841 14.628 -3.187 1.00 0.00 C ATOM 1827 C PRO A 146 126.156 15.351 -4.356 1.00 0.00 C ATOM 1828 O PRO A 146 125.859 16.528 -4.268 1.00 0.00 O ATOM 1829 CB PRO A 146 128.345 14.902 -3.147 1.00 0.00 C ATOM 1830 CG PRO A 146 128.956 13.732 -3.842 1.00 0.00 C ATOM 1831 CD PRO A 146 128.096 12.550 -3.482 1.00 0.00 C ATOM 0 HA PRO A 146 126.331 14.991 -2.294 1.00 0.00 H new ATOM 0 HB2 PRO A 146 128.592 15.836 -3.651 1.00 0.00 H new ATOM 0 HB3 PRO A 146 128.706 14.988 -2.122 1.00 0.00 H new ATOM 0 HG2 PRO A 146 128.979 13.886 -4.921 1.00 0.00 H new ATOM 0 HG3 PRO A 146 129.986 13.579 -3.520 1.00 0.00 H new ATOM 0 HD2 PRO A 146 128.119 11.782 -4.255 1.00 0.00 H new ATOM 0 HD3 PRO A 146 128.423 12.079 -2.555 1.00 0.00 H new ATOM 1839 N SER A 147 125.886 14.659 -5.439 1.00 0.00 N ATOM 1840 CA SER A 147 125.202 15.315 -6.596 1.00 0.00 C ATOM 1841 C SER A 147 123.747 15.628 -6.229 1.00 0.00 C ATOM 1842 O SER A 147 123.196 16.630 -6.645 1.00 0.00 O ATOM 1843 CB SER A 147 125.260 14.296 -7.735 1.00 0.00 C ATOM 1844 OG SER A 147 125.139 14.975 -8.977 1.00 0.00 O ATOM 0 H SER A 147 126.109 13.672 -5.570 1.00 0.00 H new ATOM 0 HA SER A 147 125.676 16.256 -6.876 1.00 0.00 H new ATOM 0 HB2 SER A 147 126.200 13.745 -7.698 1.00 0.00 H new ATOM 0 HB3 SER A 147 124.458 13.566 -7.627 1.00 0.00 H new ATOM 0 HG SER A 147 125.177 14.326 -9.710 1.00 0.00 H new ATOM 1850 N GLY A 148 123.125 14.777 -5.449 1.00 0.00 N ATOM 1851 CA GLY A 148 121.707 15.020 -5.044 1.00 0.00 C ATOM 1852 C GLY A 148 120.797 13.897 -5.563 1.00 0.00 C ATOM 1853 O GLY A 148 119.590 14.040 -5.583 1.00 0.00 O ATOM 0 H GLY A 148 123.540 13.923 -5.075 1.00 0.00 H new ATOM 0 HA2 GLY A 148 121.638 15.078 -3.958 1.00 0.00 H new ATOM 0 HA3 GLY A 148 121.370 15.979 -5.437 1.00 0.00 H new ATOM 1857 N HIS A 149 121.357 12.785 -5.979 1.00 0.00 N ATOM 1858 CA HIS A 149 120.515 11.662 -6.494 1.00 0.00 C ATOM 1859 C HIS A 149 120.859 10.363 -5.754 1.00 0.00 C ATOM 1860 O HIS A 149 121.819 10.300 -5.009 1.00 0.00 O ATOM 1861 CB HIS A 149 120.874 11.550 -7.978 1.00 0.00 C ATOM 1862 CG HIS A 149 119.824 12.230 -8.815 1.00 0.00 C ATOM 1863 ND1 HIS A 149 119.726 12.028 -10.182 1.00 0.00 N ATOM 1864 CD2 HIS A 149 118.823 13.116 -8.495 1.00 0.00 C ATOM 1865 CE1 HIS A 149 118.700 12.775 -10.630 1.00 0.00 C ATOM 1866 NE2 HIS A 149 118.116 13.458 -9.644 1.00 0.00 N ATOM 0 H HIS A 149 122.362 12.608 -5.983 1.00 0.00 H new ATOM 0 HA HIS A 149 119.450 11.838 -6.345 1.00 0.00 H new ATOM 0 HB2 HIS A 149 121.847 12.006 -8.160 1.00 0.00 H new ATOM 0 HB3 HIS A 149 120.955 10.501 -8.263 1.00 0.00 H new ATOM 0 HD2 HIS A 149 118.617 13.490 -7.503 1.00 0.00 H new ATOM 0 HE1 HIS A 149 118.387 12.816 -11.663 1.00 0.00 H new ATOM 0 HE2 HIS A 149 117.322 14.094 -9.717 1.00 0.00 H new ATOM 1874 N ALA A 150 120.076 9.330 -5.949 1.00 0.00 N ATOM 1875 CA ALA A 150 120.347 8.033 -5.253 1.00 0.00 C ATOM 1876 C ALA A 150 121.176 7.100 -6.143 1.00 0.00 C ATOM 1877 O ALA A 150 121.135 7.185 -7.356 1.00 0.00 O ATOM 1878 CB ALA A 150 118.967 7.432 -4.990 1.00 0.00 C ATOM 0 H ALA A 150 119.260 9.329 -6.561 1.00 0.00 H new ATOM 0 HA ALA A 150 120.918 8.175 -4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 150 119.078 6.475 -4.480 1.00 0.00 H new ATOM 0 HB2 ALA A 150 118.387 8.111 -4.365 1.00 0.00 H new ATOM 0 HB3 ALA A 150 118.450 7.280 -5.937 1.00 0.00 H new ATOM 1884 N VAL A 151 121.929 6.211 -5.541 1.00 0.00 N ATOM 1885 CA VAL A 151 122.767 5.264 -6.338 1.00 0.00 C ATOM 1886 C VAL A 151 122.362 3.808 -6.062 1.00 0.00 C ATOM 1887 O VAL A 151 122.557 2.942 -6.895 1.00 0.00 O ATOM 1888 CB VAL A 151 124.210 5.518 -5.885 1.00 0.00 C ATOM 1889 CG1 VAL A 151 124.602 6.957 -6.218 1.00 0.00 C ATOM 1890 CG2 VAL A 151 124.334 5.295 -4.373 1.00 0.00 C ATOM 0 H VAL A 151 121.999 6.101 -4.529 1.00 0.00 H new ATOM 0 HA VAL A 151 122.643 5.422 -7.409 1.00 0.00 H new ATOM 0 HB VAL A 151 124.873 4.826 -6.404 1.00 0.00 H new ATOM 0 HG11 VAL A 151 125.628 7.138 -5.896 1.00 0.00 H new ATOM 0 HG12 VAL A 151 124.526 7.115 -7.294 1.00 0.00 H new ATOM 0 HG13 VAL A 151 123.933 7.645 -5.702 1.00 0.00 H new ATOM 0 HG21 VAL A 151 125.362 5.478 -4.061 1.00 0.00 H new ATOM 0 HG22 VAL A 151 123.668 5.981 -3.848 1.00 0.00 H new ATOM 0 HG23 VAL A 151 124.059 4.268 -4.133 1.00 0.00 H new ATOM 1900 N GLY A 152 121.806 3.529 -4.905 1.00 0.00 N ATOM 1901 CA GLY A 152 121.401 2.122 -4.591 1.00 0.00 C ATOM 1902 C GLY A 152 120.616 2.078 -3.276 1.00 0.00 C ATOM 1903 O GLY A 152 120.116 3.082 -2.808 1.00 0.00 O ATOM 0 H GLY A 152 121.617 4.210 -4.170 1.00 0.00 H new ATOM 0 HA2 GLY A 152 120.791 1.722 -5.401 1.00 0.00 H new ATOM 0 HA3 GLY A 152 122.285 1.489 -4.516 1.00 0.00 H new ATOM 1907 N ILE A 153 120.505 0.912 -2.683 1.00 0.00 N ATOM 1908 CA ILE A 153 119.750 0.783 -1.399 1.00 0.00 C ATOM 1909 C ILE A 153 120.487 -0.186 -0.448 1.00 0.00 C ATOM 1910 O ILE A 153 121.206 -1.063 -0.889 1.00 0.00 O ATOM 1911 CB ILE A 153 118.359 0.264 -1.821 1.00 0.00 C ATOM 1912 CG1 ILE A 153 117.360 0.523 -0.688 1.00 0.00 C ATOM 1913 CG2 ILE A 153 118.406 -1.238 -2.152 1.00 0.00 C ATOM 1914 CD1 ILE A 153 115.958 0.073 -1.112 1.00 0.00 C ATOM 0 H ILE A 153 120.907 0.043 -3.036 1.00 0.00 H new ATOM 0 HA ILE A 153 119.664 1.719 -0.848 1.00 0.00 H new ATOM 0 HB ILE A 153 118.044 0.794 -2.719 1.00 0.00 H new ATOM 0 HG12 ILE A 153 117.668 -0.014 0.209 1.00 0.00 H new ATOM 0 HG13 ILE A 153 117.350 1.584 -0.436 1.00 0.00 H new ATOM 0 HG21 ILE A 153 117.413 -1.577 -2.446 1.00 0.00 H new ATOM 0 HG22 ILE A 153 119.105 -1.408 -2.971 1.00 0.00 H new ATOM 0 HG23 ILE A 153 118.734 -1.794 -1.274 1.00 0.00 H new ATOM 0 HD11 ILE A 153 115.255 0.261 -0.301 1.00 0.00 H new ATOM 0 HD12 ILE A 153 115.649 0.630 -1.996 1.00 0.00 H new ATOM 0 HD13 ILE A 153 115.972 -0.993 -1.341 1.00 0.00 H new ATOM 1926 N PHE A 154 120.321 -0.027 0.845 1.00 0.00 N ATOM 1927 CA PHE A 154 121.028 -0.928 1.813 1.00 0.00 C ATOM 1928 C PHE A 154 120.548 -2.374 1.680 1.00 0.00 C ATOM 1929 O PHE A 154 119.387 -2.639 1.430 1.00 0.00 O ATOM 1930 CB PHE A 154 120.698 -0.390 3.211 1.00 0.00 C ATOM 1931 CG PHE A 154 121.667 -0.974 4.223 1.00 0.00 C ATOM 1932 CD1 PHE A 154 123.049 -0.940 3.980 1.00 0.00 C ATOM 1933 CD2 PHE A 154 121.184 -1.557 5.402 1.00 0.00 C ATOM 1934 CE1 PHE A 154 123.941 -1.484 4.910 1.00 0.00 C ATOM 1935 CE2 PHE A 154 122.079 -2.098 6.334 1.00 0.00 C ATOM 1936 CZ PHE A 154 123.457 -2.062 6.089 1.00 0.00 C ATOM 0 H PHE A 154 119.728 0.686 1.271 1.00 0.00 H new ATOM 0 HA PHE A 154 122.101 -0.935 1.621 1.00 0.00 H new ATOM 0 HB2 PHE A 154 120.762 0.698 3.217 1.00 0.00 H new ATOM 0 HB3 PHE A 154 119.674 -0.651 3.480 1.00 0.00 H new ATOM 0 HD1 PHE A 154 123.425 -0.492 3.072 1.00 0.00 H new ATOM 0 HD2 PHE A 154 120.121 -1.589 5.592 1.00 0.00 H new ATOM 0 HE1 PHE A 154 125.004 -1.458 4.718 1.00 0.00 H new ATOM 0 HE2 PHE A 154 121.705 -2.544 7.244 1.00 0.00 H new ATOM 0 HZ PHE A 154 124.145 -2.480 6.809 1.00 0.00 H new ATOM 1946 N ARG A 155 121.448 -3.307 1.856 1.00 0.00 N ATOM 1947 CA ARG A 155 121.085 -4.749 1.754 1.00 0.00 C ATOM 1948 C ARG A 155 121.603 -5.506 2.987 1.00 0.00 C ATOM 1949 O ARG A 155 120.836 -5.929 3.841 1.00 0.00 O ATOM 1950 CB ARG A 155 121.787 -5.231 0.478 1.00 0.00 C ATOM 1951 CG ARG A 155 121.500 -6.719 0.249 1.00 0.00 C ATOM 1952 CD ARG A 155 122.696 -7.359 -0.461 1.00 0.00 C ATOM 1953 NE ARG A 155 122.151 -8.574 -1.146 1.00 0.00 N ATOM 1954 CZ ARG A 155 122.870 -9.244 -2.024 1.00 0.00 C ATOM 1955 NH1 ARG A 155 124.007 -8.773 -2.483 1.00 0.00 N ATOM 1956 NH2 ARG A 155 122.443 -10.401 -2.449 1.00 0.00 N ATOM 0 H ARG A 155 122.429 -3.127 2.068 1.00 0.00 H new ATOM 0 HA ARG A 155 120.009 -4.916 1.714 1.00 0.00 H new ATOM 0 HB2 ARG A 155 121.442 -4.650 -0.378 1.00 0.00 H new ATOM 0 HB3 ARG A 155 122.862 -5.069 0.561 1.00 0.00 H new ATOM 0 HG2 ARG A 155 121.318 -7.217 1.201 1.00 0.00 H new ATOM 0 HG3 ARG A 155 120.598 -6.840 -0.351 1.00 0.00 H new ATOM 0 HD2 ARG A 155 123.141 -6.670 -1.179 1.00 0.00 H new ATOM 0 HD3 ARG A 155 123.477 -7.627 0.250 1.00 0.00 H new ATOM 0 HE ARG A 155 121.205 -8.889 -0.929 1.00 0.00 H new ATOM 0 HH11 ARG A 155 124.352 -7.869 -2.160 1.00 0.00 H new ATOM 0 HH12 ARG A 155 124.545 -9.311 -3.162 1.00 0.00 H new ATOM 0 HH21 ARG A 155 121.561 -10.778 -2.102 1.00 0.00 H new ATOM 0 HH22 ARG A 155 122.991 -10.929 -3.129 1.00 0.00 H new ATOM 1970 N ALA A 156 122.898 -5.678 3.090 1.00 0.00 N ATOM 1971 CA ALA A 156 123.458 -6.406 4.263 1.00 0.00 C ATOM 1972 C ALA A 156 124.572 -5.601 4.927 1.00 0.00 C ATOM 1973 O ALA A 156 125.315 -4.885 4.284 1.00 0.00 O ATOM 1974 CB ALA A 156 124.026 -7.712 3.703 1.00 0.00 C ATOM 0 H ALA A 156 123.586 -5.346 2.414 1.00 0.00 H new ATOM 0 HA ALA A 156 122.693 -6.578 5.021 1.00 0.00 H new ATOM 0 HB1 ALA A 156 124.456 -8.299 4.514 1.00 0.00 H new ATOM 0 HB2 ALA A 156 123.228 -8.281 3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 156 124.800 -7.487 2.969 1.00 0.00 H new ATOM 1980 N ALA A 157 124.692 -5.745 6.212 1.00 0.00 N ATOM 1981 CA ALA A 157 125.766 -5.026 6.967 1.00 0.00 C ATOM 1982 C ALA A 157 126.986 -5.947 7.077 1.00 0.00 C ATOM 1983 O ALA A 157 126.869 -7.143 6.922 1.00 0.00 O ATOM 1984 CB ALA A 157 125.169 -4.747 8.347 1.00 0.00 C ATOM 0 H ALA A 157 124.088 -6.335 6.784 1.00 0.00 H new ATOM 0 HA ALA A 157 126.086 -4.103 6.484 1.00 0.00 H new ATOM 0 HB1 ALA A 157 125.900 -4.220 8.960 1.00 0.00 H new ATOM 0 HB2 ALA A 157 124.275 -4.132 8.239 1.00 0.00 H new ATOM 0 HB3 ALA A 157 124.905 -5.690 8.827 1.00 0.00 H new ATOM 1990 N VAL A 158 128.156 -5.404 7.303 1.00 0.00 N ATOM 1991 CA VAL A 158 129.376 -6.279 7.373 1.00 0.00 C ATOM 1992 C VAL A 158 130.103 -6.103 8.708 1.00 0.00 C ATOM 1993 O VAL A 158 130.669 -5.059 8.974 1.00 0.00 O ATOM 1994 CB VAL A 158 130.298 -5.827 6.222 1.00 0.00 C ATOM 1995 CG1 VAL A 158 131.289 -6.952 5.894 1.00 0.00 C ATOM 1996 CG2 VAL A 158 129.487 -5.493 4.960 1.00 0.00 C ATOM 0 H VAL A 158 128.323 -4.407 7.441 1.00 0.00 H new ATOM 0 HA VAL A 158 129.099 -7.330 7.289 1.00 0.00 H new ATOM 0 HB VAL A 158 130.830 -4.931 6.542 1.00 0.00 H new ATOM 0 HG11 VAL A 158 131.942 -6.636 5.081 1.00 0.00 H new ATOM 0 HG12 VAL A 158 131.890 -7.176 6.776 1.00 0.00 H new ATOM 0 HG13 VAL A 158 130.740 -7.844 5.592 1.00 0.00 H new ATOM 0 HG21 VAL A 158 130.163 -5.177 4.166 1.00 0.00 H new ATOM 0 HG22 VAL A 158 128.936 -6.376 4.638 1.00 0.00 H new ATOM 0 HG23 VAL A 158 128.786 -4.688 5.180 1.00 0.00 H new ATOM 2006 N CYS A 159 130.108 -7.117 9.543 1.00 0.00 N ATOM 2007 CA CYS A 159 130.822 -6.996 10.852 1.00 0.00 C ATOM 2008 C CYS A 159 131.596 -8.282 11.171 1.00 0.00 C ATOM 2009 O CYS A 159 131.150 -9.375 10.879 1.00 0.00 O ATOM 2010 CB CYS A 159 129.725 -6.743 11.891 1.00 0.00 C ATOM 2011 SG CYS A 159 128.565 -8.133 11.930 1.00 0.00 S ATOM 0 H CYS A 159 129.653 -8.014 9.375 1.00 0.00 H new ATOM 0 HA CYS A 159 131.557 -6.191 10.840 1.00 0.00 H new ATOM 0 HB2 CYS A 159 130.172 -6.605 12.876 1.00 0.00 H new ATOM 0 HB3 CYS A 159 129.193 -5.823 11.651 1.00 0.00 H new ATOM 0 HG CYS A 159 129.156 -9.204 11.490 1.00 0.00 H new ATOM 2017 N THR A 160 132.748 -8.153 11.781 1.00 0.00 N ATOM 2018 CA THR A 160 133.554 -9.358 12.137 1.00 0.00 C ATOM 2019 C THR A 160 133.046 -9.953 13.454 1.00 0.00 C ATOM 2020 O THR A 160 132.889 -11.151 13.586 1.00 0.00 O ATOM 2021 CB THR A 160 134.987 -8.846 12.295 1.00 0.00 C ATOM 2022 OG1 THR A 160 135.344 -8.085 11.149 1.00 0.00 O ATOM 2023 CG2 THR A 160 135.944 -10.031 12.439 1.00 0.00 C ATOM 0 H THR A 160 133.165 -7.261 12.048 1.00 0.00 H new ATOM 0 HA THR A 160 133.486 -10.142 11.383 1.00 0.00 H new ATOM 0 HB THR A 160 135.052 -8.220 13.185 1.00 0.00 H new ATOM 0 HG1 THR A 160 136.261 -7.754 11.249 1.00 0.00 H new ATOM 0 HG21 THR A 160 136.964 -9.663 12.551 1.00 0.00 H new ATOM 0 HG22 THR A 160 135.670 -10.615 13.317 1.00 0.00 H new ATOM 0 HG23 THR A 160 135.881 -10.660 11.551 1.00 0.00 H new ATOM 2031 N ARG A 161 132.784 -9.115 14.425 1.00 0.00 N ATOM 2032 CA ARG A 161 132.278 -9.610 15.741 1.00 0.00 C ATOM 2033 C ARG A 161 131.027 -8.826 16.149 1.00 0.00 C ATOM 2034 O ARG A 161 130.801 -8.559 17.315 1.00 0.00 O ATOM 2035 CB ARG A 161 133.423 -9.371 16.731 1.00 0.00 C ATOM 2036 CG ARG A 161 133.799 -7.885 16.758 1.00 0.00 C ATOM 2037 CD ARG A 161 134.228 -7.498 18.173 1.00 0.00 C ATOM 2038 NE ARG A 161 135.710 -7.687 18.193 1.00 0.00 N ATOM 2039 CZ ARG A 161 136.478 -7.004 19.017 1.00 0.00 C ATOM 2040 NH1 ARG A 161 135.968 -6.282 19.988 1.00 0.00 N ATOM 2041 NH2 ARG A 161 137.774 -7.049 18.869 1.00 0.00 N ATOM 0 H ARG A 161 132.900 -8.104 14.362 1.00 0.00 H new ATOM 0 HA ARG A 161 131.995 -10.662 15.708 1.00 0.00 H new ATOM 0 HB2 ARG A 161 133.125 -9.696 17.728 1.00 0.00 H new ATOM 0 HB3 ARG A 161 134.290 -9.968 16.447 1.00 0.00 H new ATOM 0 HG2 ARG A 161 134.608 -7.690 16.054 1.00 0.00 H new ATOM 0 HG3 ARG A 161 132.950 -7.278 16.444 1.00 0.00 H new ATOM 0 HD2 ARG A 161 133.959 -6.466 18.399 1.00 0.00 H new ATOM 0 HD3 ARG A 161 133.740 -8.125 18.919 1.00 0.00 H new ATOM 0 HE ARG A 161 136.136 -8.359 17.555 1.00 0.00 H new ATOM 0 HH11 ARG A 161 134.957 -6.242 20.117 1.00 0.00 H new ATOM 0 HH12 ARG A 161 136.583 -5.762 20.614 1.00 0.00 H new ATOM 0 HH21 ARG A 161 138.183 -7.609 18.121 1.00 0.00 H new ATOM 0 HH22 ARG A 161 138.378 -6.524 19.501 1.00 0.00 H new ATOM 2055 N GLY A 162 130.219 -8.455 15.190 1.00 0.00 N ATOM 2056 CA GLY A 162 128.979 -7.683 15.495 1.00 0.00 C ATOM 2057 C GLY A 162 129.207 -6.187 15.232 1.00 0.00 C ATOM 2058 O GLY A 162 128.268 -5.416 15.197 1.00 0.00 O ATOM 0 H GLY A 162 130.367 -8.656 14.201 1.00 0.00 H new ATOM 0 HA2 GLY A 162 128.155 -8.046 14.880 1.00 0.00 H new ATOM 0 HA3 GLY A 162 128.693 -7.837 16.535 1.00 0.00 H new ATOM 2062 N VAL A 163 130.439 -5.770 15.032 1.00 0.00 N ATOM 2063 CA VAL A 163 130.709 -4.325 14.757 1.00 0.00 C ATOM 2064 C VAL A 163 130.721 -4.096 13.244 1.00 0.00 C ATOM 2065 O VAL A 163 131.463 -4.733 12.522 1.00 0.00 O ATOM 2066 CB VAL A 163 132.089 -4.047 15.362 1.00 0.00 C ATOM 2067 CG1 VAL A 163 132.465 -2.582 15.132 1.00 0.00 C ATOM 2068 CG2 VAL A 163 132.054 -4.327 16.867 1.00 0.00 C ATOM 0 H VAL A 163 131.264 -6.369 15.048 1.00 0.00 H new ATOM 0 HA VAL A 163 129.953 -3.665 15.183 1.00 0.00 H new ATOM 0 HB VAL A 163 132.827 -4.693 14.886 1.00 0.00 H new ATOM 0 HG11 VAL A 163 133.447 -2.386 15.563 1.00 0.00 H new ATOM 0 HG12 VAL A 163 132.491 -2.377 14.062 1.00 0.00 H new ATOM 0 HG13 VAL A 163 131.725 -1.938 15.607 1.00 0.00 H new ATOM 0 HG21 VAL A 163 133.036 -4.129 17.297 1.00 0.00 H new ATOM 0 HG22 VAL A 163 131.314 -3.681 17.340 1.00 0.00 H new ATOM 0 HG23 VAL A 163 131.787 -5.370 17.037 1.00 0.00 H new ATOM 2078 N ALA A 164 129.896 -3.203 12.761 1.00 0.00 N ATOM 2079 CA ALA A 164 129.841 -2.948 11.291 1.00 0.00 C ATOM 2080 C ALA A 164 130.877 -1.901 10.875 1.00 0.00 C ATOM 2081 O ALA A 164 130.789 -0.744 11.241 1.00 0.00 O ATOM 2082 CB ALA A 164 128.425 -2.427 11.038 1.00 0.00 C ATOM 0 H ALA A 164 129.258 -2.639 13.322 1.00 0.00 H new ATOM 0 HA ALA A 164 130.064 -3.846 10.715 1.00 0.00 H new ATOM 0 HB1 ALA A 164 128.300 -2.214 9.976 1.00 0.00 H new ATOM 0 HB2 ALA A 164 127.700 -3.181 11.345 1.00 0.00 H new ATOM 0 HB3 ALA A 164 128.265 -1.515 11.612 1.00 0.00 H new ATOM 2088 N LYS A 165 131.849 -2.305 10.099 1.00 0.00 N ATOM 2089 CA LYS A 165 132.894 -1.348 9.632 1.00 0.00 C ATOM 2090 C LYS A 165 132.646 -0.974 8.166 1.00 0.00 C ATOM 2091 O LYS A 165 133.050 0.077 7.709 1.00 0.00 O ATOM 2092 CB LYS A 165 134.219 -2.099 9.778 1.00 0.00 C ATOM 2093 CG LYS A 165 134.545 -2.280 11.261 1.00 0.00 C ATOM 2094 CD LYS A 165 135.869 -3.032 11.403 1.00 0.00 C ATOM 2095 CE LYS A 165 136.189 -3.224 12.887 1.00 0.00 C ATOM 2096 NZ LYS A 165 137.482 -3.964 12.906 1.00 0.00 N ATOM 0 H LYS A 165 131.964 -3.263 9.767 1.00 0.00 H new ATOM 0 HA LYS A 165 132.890 -0.420 10.204 1.00 0.00 H new ATOM 0 HB2 LYS A 165 134.154 -3.071 9.288 1.00 0.00 H new ATOM 0 HB3 LYS A 165 135.018 -1.546 9.284 1.00 0.00 H new ATOM 0 HG2 LYS A 165 134.612 -1.309 11.751 1.00 0.00 H new ATOM 0 HG3 LYS A 165 133.746 -2.832 11.755 1.00 0.00 H new ATOM 0 HD2 LYS A 165 135.805 -4.000 10.905 1.00 0.00 H new ATOM 0 HD3 LYS A 165 136.670 -2.475 10.916 1.00 0.00 H new ATOM 0 HE2 LYS A 165 136.274 -2.266 13.400 1.00 0.00 H new ATOM 0 HE3 LYS A 165 135.404 -3.787 13.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 137.770 -4.135 13.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 137.368 -4.874 12.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 138.212 -3.400 12.425 1.00 0.00 H new ATOM 2110 N ALA A 166 131.982 -1.832 7.428 1.00 0.00 N ATOM 2111 CA ALA A 166 131.699 -1.537 5.991 1.00 0.00 C ATOM 2112 C ALA A 166 130.221 -1.803 5.687 1.00 0.00 C ATOM 2113 O ALA A 166 129.511 -2.381 6.490 1.00 0.00 O ATOM 2114 CB ALA A 166 132.597 -2.491 5.203 1.00 0.00 C ATOM 0 H ALA A 166 131.624 -2.726 7.762 1.00 0.00 H new ATOM 0 HA ALA A 166 131.895 -0.497 5.732 1.00 0.00 H new ATOM 0 HB1 ALA A 166 132.446 -2.334 4.135 1.00 0.00 H new ATOM 0 HB2 ALA A 166 133.640 -2.299 5.454 1.00 0.00 H new ATOM 0 HB3 ALA A 166 132.346 -3.521 5.458 1.00 0.00 H new ATOM 2120 N VAL A 167 129.750 -1.378 4.542 1.00 0.00 N ATOM 2121 CA VAL A 167 128.311 -1.598 4.189 1.00 0.00 C ATOM 2122 C VAL A 167 128.160 -1.938 2.702 1.00 0.00 C ATOM 2123 O VAL A 167 128.786 -1.335 1.851 1.00 0.00 O ATOM 2124 CB VAL A 167 127.612 -0.272 4.509 1.00 0.00 C ATOM 2125 CG1 VAL A 167 127.730 0.019 6.006 1.00 0.00 C ATOM 2126 CG2 VAL A 167 128.263 0.868 3.716 1.00 0.00 C ATOM 0 H VAL A 167 130.298 -0.888 3.835 1.00 0.00 H new ATOM 0 HA VAL A 167 127.882 -2.432 4.744 1.00 0.00 H new ATOM 0 HB VAL A 167 126.561 -0.347 4.231 1.00 0.00 H new ATOM 0 HG11 VAL A 167 127.233 0.962 6.234 1.00 0.00 H new ATOM 0 HG12 VAL A 167 127.259 -0.785 6.571 1.00 0.00 H new ATOM 0 HG13 VAL A 167 128.782 0.088 6.281 1.00 0.00 H new ATOM 0 HG21 VAL A 167 127.760 1.807 3.949 1.00 0.00 H new ATOM 0 HG22 VAL A 167 129.316 0.944 3.986 1.00 0.00 H new ATOM 0 HG23 VAL A 167 128.176 0.665 2.649 1.00 0.00 H new ATOM 2136 N ASP A 168 127.328 -2.901 2.388 1.00 0.00 N ATOM 2137 CA ASP A 168 127.122 -3.288 0.958 1.00 0.00 C ATOM 2138 C ASP A 168 125.700 -2.934 0.512 1.00 0.00 C ATOM 2139 O ASP A 168 124.748 -3.095 1.254 1.00 0.00 O ATOM 2140 CB ASP A 168 127.338 -4.802 0.920 1.00 0.00 C ATOM 2141 CG ASP A 168 127.552 -5.251 -0.527 1.00 0.00 C ATOM 2142 OD1 ASP A 168 128.648 -5.691 -0.833 1.00 0.00 O ATOM 2143 OD2 ASP A 168 126.616 -5.148 -1.302 1.00 0.00 O ATOM 0 H ASP A 168 126.782 -3.437 3.062 1.00 0.00 H new ATOM 0 HA ASP A 168 127.803 -2.764 0.287 1.00 0.00 H new ATOM 0 HB2 ASP A 168 128.202 -5.072 1.527 1.00 0.00 H new ATOM 0 HB3 ASP A 168 126.476 -5.314 1.347 1.00 0.00 H new ATOM 2148 N PHE A 169 125.555 -2.448 -0.696 1.00 0.00 N ATOM 2149 CA PHE A 169 124.199 -2.068 -1.203 1.00 0.00 C ATOM 2150 C PHE A 169 124.045 -2.463 -2.677 1.00 0.00 C ATOM 2151 O PHE A 169 125.019 -2.664 -3.379 1.00 0.00 O ATOM 2152 CB PHE A 169 124.122 -0.544 -1.036 1.00 0.00 C ATOM 2153 CG PHE A 169 125.248 0.123 -1.796 1.00 0.00 C ATOM 2154 CD1 PHE A 169 125.063 0.505 -3.129 1.00 0.00 C ATOM 2155 CD2 PHE A 169 126.473 0.361 -1.163 1.00 0.00 C ATOM 2156 CE1 PHE A 169 126.103 1.125 -3.831 1.00 0.00 C ATOM 2157 CE2 PHE A 169 127.515 0.980 -1.864 1.00 0.00 C ATOM 2158 CZ PHE A 169 127.330 1.363 -3.199 1.00 0.00 C ATOM 0 H PHE A 169 126.319 -2.298 -1.355 1.00 0.00 H new ATOM 0 HA PHE A 169 123.402 -2.576 -0.661 1.00 0.00 H new ATOM 0 HB2 PHE A 169 123.162 -0.179 -1.400 1.00 0.00 H new ATOM 0 HB3 PHE A 169 124.182 -0.283 0.021 1.00 0.00 H new ATOM 0 HD1 PHE A 169 124.117 0.321 -3.617 1.00 0.00 H new ATOM 0 HD2 PHE A 169 126.615 0.067 -0.133 1.00 0.00 H new ATOM 0 HE1 PHE A 169 125.959 1.420 -4.860 1.00 0.00 H new ATOM 0 HE2 PHE A 169 128.461 1.162 -1.376 1.00 0.00 H new ATOM 0 HZ PHE A 169 128.133 1.841 -3.740 1.00 0.00 H new ATOM 2168 N VAL A 170 122.826 -2.572 -3.146 1.00 0.00 N ATOM 2169 CA VAL A 170 122.596 -2.953 -4.574 1.00 0.00 C ATOM 2170 C VAL A 170 122.437 -1.684 -5.436 1.00 0.00 C ATOM 2171 O VAL A 170 121.746 -0.765 -5.042 1.00 0.00 O ATOM 2172 CB VAL A 170 121.295 -3.763 -4.569 1.00 0.00 C ATOM 2173 CG1 VAL A 170 120.963 -4.217 -5.993 1.00 0.00 C ATOM 2174 CG2 VAL A 170 121.457 -4.996 -3.675 1.00 0.00 C ATOM 0 H VAL A 170 121.979 -2.413 -2.600 1.00 0.00 H new ATOM 0 HA VAL A 170 123.426 -3.524 -4.989 1.00 0.00 H new ATOM 0 HB VAL A 170 120.489 -3.137 -4.187 1.00 0.00 H new ATOM 0 HG11 VAL A 170 120.037 -4.793 -5.985 1.00 0.00 H new ATOM 0 HG12 VAL A 170 120.842 -3.344 -6.634 1.00 0.00 H new ATOM 0 HG13 VAL A 170 121.773 -4.838 -6.375 1.00 0.00 H new ATOM 0 HG21 VAL A 170 120.530 -5.569 -3.674 1.00 0.00 H new ATOM 0 HG22 VAL A 170 122.267 -5.618 -4.056 1.00 0.00 H new ATOM 0 HG23 VAL A 170 121.689 -4.680 -2.658 1.00 0.00 H new ATOM 2184 N PRO A 171 123.077 -1.664 -6.588 1.00 0.00 N ATOM 2185 CA PRO A 171 122.976 -0.478 -7.476 1.00 0.00 C ATOM 2186 C PRO A 171 121.608 -0.438 -8.165 1.00 0.00 C ATOM 2187 O PRO A 171 120.932 -1.445 -8.282 1.00 0.00 O ATOM 2188 CB PRO A 171 124.089 -0.694 -8.497 1.00 0.00 C ATOM 2189 CG PRO A 171 124.314 -2.171 -8.525 1.00 0.00 C ATOM 2190 CD PRO A 171 123.939 -2.708 -7.169 1.00 0.00 C ATOM 0 HA PRO A 171 123.074 0.465 -6.939 1.00 0.00 H new ATOM 0 HB2 PRO A 171 123.800 -0.321 -9.480 1.00 0.00 H new ATOM 0 HB3 PRO A 171 124.996 -0.163 -8.209 1.00 0.00 H new ATOM 0 HG2 PRO A 171 123.709 -2.637 -9.303 1.00 0.00 H new ATOM 0 HG3 PRO A 171 125.356 -2.397 -8.753 1.00 0.00 H new ATOM 0 HD2 PRO A 171 123.412 -3.659 -7.250 1.00 0.00 H new ATOM 0 HD3 PRO A 171 124.821 -2.883 -6.553 1.00 0.00 H new ATOM 2198 N VAL A 172 121.200 0.718 -8.618 1.00 0.00 N ATOM 2199 CA VAL A 172 119.877 0.841 -9.303 1.00 0.00 C ATOM 2200 C VAL A 172 119.977 0.308 -10.737 1.00 0.00 C ATOM 2201 O VAL A 172 119.009 -0.168 -11.300 1.00 0.00 O ATOM 2202 CB VAL A 172 119.560 2.342 -9.293 1.00 0.00 C ATOM 2203 CG1 VAL A 172 118.222 2.601 -9.994 1.00 0.00 C ATOM 2204 CG2 VAL A 172 119.470 2.833 -7.844 1.00 0.00 C ATOM 0 H VAL A 172 121.728 1.587 -8.543 1.00 0.00 H new ATOM 0 HA VAL A 172 119.095 0.264 -8.808 1.00 0.00 H new ATOM 0 HB VAL A 172 120.352 2.876 -9.819 1.00 0.00 H new ATOM 0 HG11 VAL A 172 118.006 3.669 -9.982 1.00 0.00 H new ATOM 0 HG12 VAL A 172 118.279 2.254 -11.026 1.00 0.00 H new ATOM 0 HG13 VAL A 172 117.429 2.064 -9.474 1.00 0.00 H new ATOM 0 HG21 VAL A 172 119.245 3.899 -7.835 1.00 0.00 H new ATOM 0 HG22 VAL A 172 118.680 2.291 -7.324 1.00 0.00 H new ATOM 0 HG23 VAL A 172 120.421 2.659 -7.341 1.00 0.00 H new ATOM 2214 N GLU A 173 121.142 0.390 -11.332 1.00 0.00 N ATOM 2215 CA GLU A 173 121.313 -0.108 -12.734 1.00 0.00 C ATOM 2216 C GLU A 173 120.982 -1.598 -12.815 1.00 0.00 C ATOM 2217 O GLU A 173 120.416 -2.066 -13.785 1.00 0.00 O ATOM 2218 CB GLU A 173 122.788 0.117 -13.067 1.00 0.00 C ATOM 2219 CG GLU A 173 122.968 0.166 -14.580 1.00 0.00 C ATOM 2220 CD GLU A 173 124.411 -0.192 -14.938 1.00 0.00 C ATOM 2221 OE1 GLU A 173 125.153 0.708 -15.297 1.00 0.00 O ATOM 2222 OE2 GLU A 173 124.750 -1.361 -14.849 1.00 0.00 O ATOM 0 H GLU A 173 121.983 0.781 -10.907 1.00 0.00 H new ATOM 0 HA GLU A 173 120.651 0.409 -13.429 1.00 0.00 H new ATOM 0 HB2 GLU A 173 123.135 1.048 -12.619 1.00 0.00 H new ATOM 0 HB3 GLU A 173 123.393 -0.685 -12.644 1.00 0.00 H new ATOM 0 HG2 GLU A 173 122.280 -0.530 -15.061 1.00 0.00 H new ATOM 0 HG3 GLU A 173 122.727 1.161 -14.953 1.00 0.00 H new ATOM 2229 N SER A 174 121.342 -2.345 -11.804 1.00 0.00 N ATOM 2230 CA SER A 174 121.063 -3.812 -11.816 1.00 0.00 C ATOM 2231 C SER A 174 119.554 -4.068 -11.882 1.00 0.00 C ATOM 2232 O SER A 174 119.106 -5.013 -12.505 1.00 0.00 O ATOM 2233 CB SER A 174 121.639 -4.346 -10.504 1.00 0.00 C ATOM 2234 OG SER A 174 123.058 -4.330 -10.574 1.00 0.00 O ATOM 0 H SER A 174 121.818 -2.002 -10.969 1.00 0.00 H new ATOM 0 HA SER A 174 121.507 -4.303 -12.682 1.00 0.00 H new ATOM 0 HB2 SER A 174 121.298 -3.735 -9.668 1.00 0.00 H new ATOM 0 HB3 SER A 174 121.284 -5.361 -10.324 1.00 0.00 H new ATOM 0 HG SER A 174 123.429 -4.814 -9.807 1.00 0.00 H new ATOM 2240 N MET A 175 118.773 -3.237 -11.242 1.00 0.00 N ATOM 2241 CA MET A 175 117.288 -3.431 -11.262 1.00 0.00 C ATOM 2242 C MET A 175 116.761 -3.373 -12.698 1.00 0.00 C ATOM 2243 O MET A 175 115.773 -4.002 -13.029 1.00 0.00 O ATOM 2244 CB MET A 175 116.717 -2.275 -10.436 1.00 0.00 C ATOM 2245 CG MET A 175 117.198 -2.395 -8.989 1.00 0.00 C ATOM 2246 SD MET A 175 116.120 -1.420 -7.909 1.00 0.00 S ATOM 2247 CE MET A 175 116.328 0.170 -8.745 1.00 0.00 C ATOM 0 H MET A 175 119.097 -2.432 -10.706 1.00 0.00 H new ATOM 0 HA MET A 175 117.000 -4.401 -10.857 1.00 0.00 H new ATOM 0 HB2 MET A 175 117.034 -1.321 -10.858 1.00 0.00 H new ATOM 0 HB3 MET A 175 115.628 -2.292 -10.471 1.00 0.00 H new ATOM 0 HG2 MET A 175 117.192 -3.440 -8.678 1.00 0.00 H new ATOM 0 HG3 MET A 175 118.227 -2.044 -8.907 1.00 0.00 H new ATOM 0 HE1 MET A 175 116.525 0.947 -8.006 1.00 0.00 H new ATOM 0 HE2 MET A 175 117.166 0.109 -9.439 1.00 0.00 H new ATOM 0 HE3 MET A 175 115.419 0.414 -9.294 1.00 0.00 H new ATOM 2257 N GLU A 176 117.412 -2.623 -13.551 1.00 0.00 N ATOM 2258 CA GLU A 176 116.950 -2.518 -14.972 1.00 0.00 C ATOM 2259 C GLU A 176 116.961 -3.898 -15.638 1.00 0.00 C ATOM 2260 O GLU A 176 116.035 -4.262 -16.339 1.00 0.00 O ATOM 2261 CB GLU A 176 117.955 -1.588 -15.657 1.00 0.00 C ATOM 2262 CG GLU A 176 117.231 -0.738 -16.703 1.00 0.00 C ATOM 2263 CD GLU A 176 117.256 -1.458 -18.053 1.00 0.00 C ATOM 2264 OE1 GLU A 176 116.881 -2.618 -18.089 1.00 0.00 O ATOM 2265 OE2 GLU A 176 117.651 -0.838 -19.026 1.00 0.00 O ATOM 0 H GLU A 176 118.244 -2.078 -13.326 1.00 0.00 H new ATOM 0 HA GLU A 176 115.931 -2.137 -15.042 1.00 0.00 H new ATOM 0 HB2 GLU A 176 118.434 -0.945 -14.918 1.00 0.00 H new ATOM 0 HB3 GLU A 176 118.744 -2.173 -16.130 1.00 0.00 H new ATOM 0 HG2 GLU A 176 116.201 -0.560 -16.393 1.00 0.00 H new ATOM 0 HG3 GLU A 176 117.711 0.237 -16.790 1.00 0.00 H new ATOM 2272 N THR A 177 117.999 -4.665 -15.421 1.00 0.00 N ATOM 2273 CA THR A 177 118.074 -6.025 -16.039 1.00 0.00 C ATOM 2274 C THR A 177 116.943 -6.908 -15.500 1.00 0.00 C ATOM 2275 O THR A 177 116.337 -7.669 -16.231 1.00 0.00 O ATOM 2276 CB THR A 177 119.439 -6.583 -15.626 1.00 0.00 C ATOM 2277 OG1 THR A 177 120.462 -5.711 -16.085 1.00 0.00 O ATOM 2278 CG2 THR A 177 119.638 -7.971 -16.241 1.00 0.00 C ATOM 0 H THR A 177 118.799 -4.409 -14.842 1.00 0.00 H new ATOM 0 HA THR A 177 117.966 -5.992 -17.123 1.00 0.00 H new ATOM 0 HB THR A 177 119.484 -6.661 -14.540 1.00 0.00 H new ATOM 0 HG1 THR A 177 121.337 -6.065 -15.820 1.00 0.00 H new ATOM 0 HG21 THR A 177 120.610 -8.364 -15.945 1.00 0.00 H new ATOM 0 HG22 THR A 177 118.853 -8.641 -15.889 1.00 0.00 H new ATOM 0 HG23 THR A 177 119.592 -7.897 -17.328 1.00 0.00 H new ATOM 2286 N THR A 178 116.660 -6.808 -14.226 1.00 0.00 N ATOM 2287 CA THR A 178 115.568 -7.638 -13.630 1.00 0.00 C ATOM 2288 C THR A 178 114.216 -7.230 -14.223 1.00 0.00 C ATOM 2289 O THR A 178 113.356 -8.060 -14.458 1.00 0.00 O ATOM 2290 CB THR A 178 115.606 -7.336 -12.129 1.00 0.00 C ATOM 2291 OG1 THR A 178 116.895 -7.649 -11.619 1.00 0.00 O ATOM 2292 CG2 THR A 178 114.552 -8.181 -11.408 1.00 0.00 C ATOM 0 H THR A 178 117.138 -6.188 -13.572 1.00 0.00 H new ATOM 0 HA THR A 178 115.701 -8.701 -13.833 1.00 0.00 H new ATOM 0 HB THR A 178 115.395 -6.279 -11.965 1.00 0.00 H new ATOM 0 HG1 THR A 178 117.332 -6.829 -11.309 1.00 0.00 H new ATOM 0 HG21 THR A 178 114.581 -7.965 -10.340 1.00 0.00 H new ATOM 0 HG22 THR A 178 113.564 -7.942 -11.800 1.00 0.00 H new ATOM 0 HG23 THR A 178 114.761 -9.239 -11.570 1.00 0.00 H new ATOM 2300 N MET A 179 114.028 -5.959 -14.466 1.00 0.00 N ATOM 2301 CA MET A 179 112.732 -5.483 -15.044 1.00 0.00 C ATOM 2302 C MET A 179 112.485 -6.141 -16.405 1.00 0.00 C ATOM 2303 O MET A 179 111.367 -6.486 -16.742 1.00 0.00 O ATOM 2304 CB MET A 179 112.892 -3.969 -15.202 1.00 0.00 C ATOM 2305 CG MET A 179 111.512 -3.319 -15.319 1.00 0.00 C ATOM 2306 SD MET A 179 111.703 -1.529 -15.504 1.00 0.00 S ATOM 2307 CE MET A 179 109.943 -1.122 -15.609 1.00 0.00 C ATOM 0 H MET A 179 114.716 -5.227 -14.289 1.00 0.00 H new ATOM 0 HA MET A 179 111.883 -5.736 -14.409 1.00 0.00 H new ATOM 0 HB2 MET A 179 113.428 -3.558 -14.346 1.00 0.00 H new ATOM 0 HB3 MET A 179 113.487 -3.746 -16.088 1.00 0.00 H new ATOM 0 HG2 MET A 179 110.976 -3.729 -16.175 1.00 0.00 H new ATOM 0 HG3 MET A 179 110.917 -3.543 -14.434 1.00 0.00 H new ATOM 0 HE1 MET A 179 109.825 -0.045 -15.728 1.00 0.00 H new ATOM 0 HE2 MET A 179 109.502 -1.632 -16.465 1.00 0.00 H new ATOM 0 HE3 MET A 179 109.440 -1.443 -14.697 1.00 0.00 H new ATOM 2317 N ARG A 180 113.520 -6.317 -17.186 1.00 0.00 N ATOM 2318 CA ARG A 180 113.353 -6.954 -18.531 1.00 0.00 C ATOM 2319 C ARG A 180 112.781 -8.367 -18.380 1.00 0.00 C ATOM 2320 O ARG A 180 111.942 -8.790 -19.154 1.00 0.00 O ATOM 2321 CB ARG A 180 114.759 -7.010 -19.132 1.00 0.00 C ATOM 2322 CG ARG A 180 115.284 -5.588 -19.340 1.00 0.00 C ATOM 2323 CD ARG A 180 116.690 -5.645 -19.943 1.00 0.00 C ATOM 2324 NE ARG A 180 116.515 -6.310 -21.264 1.00 0.00 N ATOM 2325 CZ ARG A 180 117.007 -7.501 -21.466 1.00 0.00 C ATOM 2326 NH1 ARG A 180 116.272 -8.426 -22.020 1.00 0.00 N ATOM 2327 NH2 ARG A 180 118.235 -7.769 -21.114 1.00 0.00 N ATOM 0 H ARG A 180 114.475 -6.047 -16.952 1.00 0.00 H new ATOM 0 HA ARG A 180 112.664 -6.395 -19.164 1.00 0.00 H new ATOM 0 HB2 ARG A 180 115.427 -7.562 -18.471 1.00 0.00 H new ATOM 0 HB3 ARG A 180 114.739 -7.544 -20.082 1.00 0.00 H new ATOM 0 HG2 ARG A 180 114.616 -5.035 -20.001 1.00 0.00 H new ATOM 0 HG3 ARG A 180 115.306 -5.055 -18.390 1.00 0.00 H new ATOM 0 HD2 ARG A 180 117.112 -4.646 -20.056 1.00 0.00 H new ATOM 0 HD3 ARG A 180 117.371 -6.208 -19.305 1.00 0.00 H new ATOM 0 HE ARG A 180 116.010 -5.834 -22.011 1.00 0.00 H new ATOM 0 HH11 ARG A 180 115.312 -8.218 -22.295 1.00 0.00 H new ATOM 0 HH12 ARG A 180 116.657 -9.357 -22.178 1.00 0.00 H new ATOM 0 HH21 ARG A 180 118.810 -7.047 -20.681 1.00 0.00 H new ATOM 0 HH22 ARG A 180 118.619 -8.701 -21.272 1.00 0.00 H new ATOM 2341 N ALA A 181 113.227 -9.096 -17.390 1.00 0.00 N ATOM 2342 CA ALA A 181 112.715 -10.484 -17.182 1.00 0.00 C ATOM 2343 C ALA A 181 111.381 -10.448 -16.430 1.00 0.00 C ATOM 2344 O ALA A 181 110.550 -11.323 -16.578 1.00 0.00 O ATOM 2345 CB ALA A 181 113.785 -11.183 -16.343 1.00 0.00 C ATOM 0 H ALA A 181 113.926 -8.789 -16.714 1.00 0.00 H new ATOM 0 HA ALA A 181 112.535 -11.002 -18.124 1.00 0.00 H new ATOM 0 HB1 ALA A 181 113.480 -12.211 -16.148 1.00 0.00 H new ATOM 0 HB2 ALA A 181 114.731 -11.182 -16.885 1.00 0.00 H new ATOM 0 HB3 ALA A 181 113.908 -10.655 -15.397 1.00 0.00 H new