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 160 THR OG1 : rot -150:sc= 0.0103 USER MOD Set 1.2: A 165 LYS NZ :NH3+ 176:sc= 0.00945 (180deg=0) USER MOD Set 2.1: A 57 HIS : no HE2:sc= -6.74! C(o=-6.6!,f=-7.9!) USER MOD Set 2.2: A 139 SER OG : rot -173:sc= 0.18 USER MOD Set 3.1: A 97 CYS SG : rot 163:sc= 2.34 USER MOD Set 3.2: A 99 CYS SG : rot -91:sc= 1.12 USER MOD Set 3.3: A 101 SER OG : rot 121:sc= 1.02 USER MOD Set 3.4: A 145 CYS SG : rot -117:sc= 1.47 USER MOD Set 4.1: A 95 THR OG1 : rot 66:sc= 1.31 USER MOD Set 4.2: A 149 HIS : no HD1:sc= -0.0223 K(o=1.3,f=-4.5!) USER MOD Set 5.1: A 73 GLN : amide:sc= -1.17 X(o=-2.9,f=-2.9) USER MOD Set 5.2: A 76 THR OG1 : rot -110:sc= -1.76 USER MOD Set 6.1: A 34 GLN : amide:sc= -0.9 K(o=0.24,f=-1.7!) USER MOD Set 6.2: A 47 CYS SG : rot -36:sc= 0.226 USER MOD Set 6.3: A 52 CYS SG : rot 180:sc= 0.91 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 160:sc= -0.74 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.17) USER MOD Single : A 42 SER OG : rot 26:sc= 0.568 USER MOD Single : A 46 THR OG1 : rot 30:sc= 0.264 USER MOD Single : A 49 ASN : amide:sc= -5.54! C(o=-5.5!,f=-2.7!) USER MOD Single : A 54 THR OG1 : rot -170:sc= 0.86 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 40:sc= 0.259 USER MOD Single : A 74 MET CE :methyl -174:sc= -2.71 (180deg=-3.03) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -1.39 K(o=-1.4,f=-13!) USER MOD Single : A 80 GLN : amide:sc= -0.0184 X(o=-0.018,f=-0.019) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot -50:sc= 0.539 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 -143:sc= -0.27 USER MOD Single : A 110 HIS : no HD1:sc=-0.00773 X(o=-0.0077,f=-0.0088) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot -120:sc= -1.07 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 SER OG : rot 120:sc= 0 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 174 SER OG : rot -170:sc= -0.327 USER MOD Single : A 175 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 149 N GLU A 32 111.419 10.229 0.170 1.00 0.00 N ATOM 150 CA GLU A 32 112.111 9.171 -0.630 1.00 0.00 C ATOM 151 C GLU A 32 112.151 7.855 0.154 1.00 0.00 C ATOM 152 O GLU A 32 111.967 6.787 -0.401 1.00 0.00 O ATOM 153 CB GLU A 32 113.528 9.702 -0.857 1.00 0.00 C ATOM 154 CG GLU A 32 114.305 8.730 -1.751 1.00 0.00 C ATOM 155 CD GLU A 32 113.671 8.687 -3.146 1.00 0.00 C ATOM 156 OE1 GLU A 32 113.106 9.690 -3.552 1.00 0.00 O ATOM 157 OE2 GLU A 32 113.763 7.652 -3.783 1.00 0.00 O ATOM 0 HA GLU A 32 111.598 8.966 -1.570 1.00 0.00 H new ATOM 0 HB2 GLU A 32 113.488 10.687 -1.322 1.00 0.00 H new ATOM 0 HB3 GLU A 32 114.040 9.821 0.098 1.00 0.00 H new ATOM 0 HG2 GLU A 32 115.347 9.043 -1.824 1.00 0.00 H new ATOM 0 HG3 GLU A 32 114.302 7.734 -1.309 1.00 0.00 H new ATOM 164 N VAL A 33 112.389 7.929 1.439 1.00 0.00 N ATOM 165 CA VAL A 33 112.442 6.688 2.269 1.00 0.00 C ATOM 166 C VAL A 33 111.109 6.485 2.997 1.00 0.00 C ATOM 167 O VAL A 33 110.631 7.362 3.691 1.00 0.00 O ATOM 168 CB VAL A 33 113.576 6.925 3.274 1.00 0.00 C ATOM 169 CG1 VAL A 33 113.726 5.704 4.185 1.00 0.00 C ATOM 170 CG2 VAL A 33 114.889 7.158 2.522 1.00 0.00 C ATOM 0 H VAL A 33 112.549 8.797 1.950 1.00 0.00 H new ATOM 0 HA VAL A 33 112.616 5.796 1.668 1.00 0.00 H new ATOM 0 HB VAL A 33 113.339 7.801 3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 33 114.533 5.878 4.897 1.00 0.00 H new ATOM 0 HG12 VAL A 33 112.795 5.537 4.726 1.00 0.00 H new ATOM 0 HG13 VAL A 33 113.957 4.826 3.582 1.00 0.00 H new ATOM 0 HG21 VAL A 33 115.693 7.326 3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 33 115.121 6.283 1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 33 114.789 8.031 1.877 1.00 0.00 H new ATOM 180 N GLN A 34 110.513 5.329 2.844 1.00 0.00 N ATOM 181 CA GLN A 34 109.214 5.054 3.526 1.00 0.00 C ATOM 182 C GLN A 34 109.420 4.056 4.669 1.00 0.00 C ATOM 183 O GLN A 34 110.198 3.127 4.558 1.00 0.00 O ATOM 184 CB GLN A 34 108.318 4.449 2.445 1.00 0.00 C ATOM 185 CG GLN A 34 107.496 5.557 1.782 1.00 0.00 C ATOM 186 CD GLN A 34 106.895 5.033 0.476 1.00 0.00 C ATOM 187 OE1 GLN A 34 107.526 5.084 -0.560 1.00 0.00 O ATOM 188 NE2 GLN A 34 105.692 4.526 0.483 1.00 0.00 N ATOM 0 H GLN A 34 110.872 4.563 2.274 1.00 0.00 H new ATOM 0 HA GLN A 34 108.778 5.953 3.961 1.00 0.00 H new ATOM 0 HB2 GLN A 34 108.926 3.937 1.699 1.00 0.00 H new ATOM 0 HB3 GLN A 34 107.655 3.703 2.883 1.00 0.00 H new ATOM 0 HG2 GLN A 34 106.703 5.888 2.453 1.00 0.00 H new ATOM 0 HG3 GLN A 34 108.127 6.423 1.583 1.00 0.00 H new ATOM 0 HE21 GLN A 34 105.162 4.483 1.353 1.00 0.00 H new ATOM 0 HE22 GLN A 34 105.282 4.173 -0.382 1.00 0.00 H new ATOM 197 N VAL A 35 108.726 4.241 5.763 1.00 0.00 N ATOM 198 CA VAL A 35 108.874 3.304 6.917 1.00 0.00 C ATOM 199 C VAL A 35 107.914 2.121 6.745 1.00 0.00 C ATOM 200 O VAL A 35 106.708 2.282 6.781 1.00 0.00 O ATOM 201 CB VAL A 35 108.497 4.127 8.154 1.00 0.00 C ATOM 202 CG1 VAL A 35 108.608 3.256 9.408 1.00 0.00 C ATOM 203 CG2 VAL A 35 109.446 5.322 8.285 1.00 0.00 C ATOM 0 H VAL A 35 108.062 5.002 5.907 1.00 0.00 H new ATOM 0 HA VAL A 35 109.882 2.897 6.998 1.00 0.00 H new ATOM 0 HB VAL A 35 107.472 4.483 8.047 1.00 0.00 H new ATOM 0 HG11 VAL A 35 108.339 3.845 10.285 1.00 0.00 H new ATOM 0 HG12 VAL A 35 107.932 2.405 9.321 1.00 0.00 H new ATOM 0 HG13 VAL A 35 109.632 2.897 9.512 1.00 0.00 H new ATOM 0 HG21 VAL A 35 109.176 5.906 9.165 1.00 0.00 H new ATOM 0 HG22 VAL A 35 110.470 4.964 8.387 1.00 0.00 H new ATOM 0 HG23 VAL A 35 109.368 5.948 7.396 1.00 0.00 H new ATOM 213 N VAL A 36 108.440 0.936 6.558 1.00 0.00 N ATOM 214 CA VAL A 36 107.559 -0.259 6.381 1.00 0.00 C ATOM 215 C VAL A 36 107.815 -1.269 7.504 1.00 0.00 C ATOM 216 O VAL A 36 108.945 -1.608 7.799 1.00 0.00 O ATOM 217 CB VAL A 36 107.945 -0.850 5.021 1.00 0.00 C ATOM 218 CG1 VAL A 36 107.094 -2.091 4.735 1.00 0.00 C ATOM 219 CG2 VAL A 36 107.703 0.189 3.923 1.00 0.00 C ATOM 0 H VAL A 36 109.441 0.745 6.520 1.00 0.00 H new ATOM 0 HA VAL A 36 106.501 -0.001 6.419 1.00 0.00 H new ATOM 0 HB VAL A 36 108.999 -1.127 5.039 1.00 0.00 H new ATOM 0 HG11 VAL A 36 107.372 -2.508 3.767 1.00 0.00 H new ATOM 0 HG12 VAL A 36 107.264 -2.836 5.513 1.00 0.00 H new ATOM 0 HG13 VAL A 36 106.040 -1.814 4.721 1.00 0.00 H new ATOM 0 HG21 VAL A 36 107.978 -0.233 2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 36 106.649 0.467 3.911 1.00 0.00 H new ATOM 0 HG23 VAL A 36 108.309 1.073 4.119 1.00 0.00 H new ATOM 229 N SER A 37 106.769 -1.750 8.127 1.00 0.00 N ATOM 230 CA SER A 37 106.939 -2.741 9.230 1.00 0.00 C ATOM 231 C SER A 37 106.158 -4.018 8.914 1.00 0.00 C ATOM 232 O SER A 37 105.022 -3.968 8.481 1.00 0.00 O ATOM 233 CB SER A 37 106.366 -2.056 10.469 1.00 0.00 C ATOM 234 OG SER A 37 107.220 -0.984 10.848 1.00 0.00 O ATOM 0 H SER A 37 105.803 -1.498 7.918 1.00 0.00 H new ATOM 0 HA SER A 37 107.981 -3.030 9.370 1.00 0.00 H new ATOM 0 HB2 SER A 37 105.363 -1.682 10.261 1.00 0.00 H new ATOM 0 HB3 SER A 37 106.276 -2.772 11.286 1.00 0.00 H new ATOM 0 HG SER A 37 106.855 -0.540 11.642 1.00 0.00 H new ATOM 240 N THR A 38 106.762 -5.158 9.126 1.00 0.00 N ATOM 241 CA THR A 38 106.064 -6.449 8.835 1.00 0.00 C ATOM 242 C THR A 38 105.539 -7.069 10.126 1.00 0.00 C ATOM 243 O THR A 38 105.686 -6.515 11.199 1.00 0.00 O ATOM 244 CB THR A 38 107.116 -7.362 8.190 1.00 0.00 C ATOM 245 OG1 THR A 38 108.076 -6.581 7.487 1.00 0.00 O ATOM 246 CG2 THR A 38 106.430 -8.320 7.215 1.00 0.00 C ATOM 0 H THR A 38 107.711 -5.253 9.489 1.00 0.00 H new ATOM 0 HA THR A 38 105.208 -6.302 8.177 1.00 0.00 H new ATOM 0 HB THR A 38 107.621 -7.930 8.971 1.00 0.00 H new ATOM 0 HG1 THR A 38 108.893 -7.107 7.356 1.00 0.00 H new ATOM 0 HG21 THR A 38 107.176 -8.969 6.757 1.00 0.00 H new ATOM 0 HG22 THR A 38 105.703 -8.928 7.753 1.00 0.00 H new ATOM 0 HG23 THR A 38 105.921 -7.747 6.439 1.00 0.00 H new ATOM 254 N ALA A 39 104.916 -8.211 10.019 1.00 0.00 N ATOM 255 CA ALA A 39 104.357 -8.878 11.231 1.00 0.00 C ATOM 256 C ALA A 39 105.480 -9.360 12.157 1.00 0.00 C ATOM 257 O ALA A 39 105.378 -9.259 13.365 1.00 0.00 O ATOM 258 CB ALA A 39 103.552 -10.067 10.704 1.00 0.00 C ATOM 0 H ALA A 39 104.769 -8.712 9.143 1.00 0.00 H new ATOM 0 HA ALA A 39 103.742 -8.195 11.817 1.00 0.00 H new ATOM 0 HB1 ALA A 39 103.110 -10.607 11.541 1.00 0.00 H new ATOM 0 HB2 ALA A 39 102.761 -9.708 10.046 1.00 0.00 H new ATOM 0 HB3 ALA A 39 104.211 -10.735 10.149 1.00 0.00 H new ATOM 264 N THR A 40 106.543 -9.890 11.604 1.00 0.00 N ATOM 265 CA THR A 40 107.666 -10.388 12.458 1.00 0.00 C ATOM 266 C THR A 40 108.929 -9.547 12.246 1.00 0.00 C ATOM 267 O THR A 40 109.756 -9.425 13.131 1.00 0.00 O ATOM 268 CB THR A 40 107.905 -11.827 12.000 1.00 0.00 C ATOM 269 OG1 THR A 40 108.220 -11.835 10.615 1.00 0.00 O ATOM 270 CG2 THR A 40 106.646 -12.661 12.243 1.00 0.00 C ATOM 0 H THR A 40 106.682 -9.999 10.599 1.00 0.00 H new ATOM 0 HA THR A 40 107.424 -10.326 13.519 1.00 0.00 H new ATOM 0 HB THR A 40 108.734 -12.254 12.565 1.00 0.00 H new ATOM 0 HG1 THR A 40 108.375 -12.757 10.320 1.00 0.00 H new ATOM 0 HG21 THR A 40 106.820 -13.686 11.915 1.00 0.00 H new ATOM 0 HG22 THR A 40 106.406 -12.656 13.306 1.00 0.00 H new ATOM 0 HG23 THR A 40 105.814 -12.237 11.681 1.00 0.00 H new ATOM 278 N GLN A 41 109.086 -8.973 11.080 1.00 0.00 N ATOM 279 CA GLN A 41 110.300 -8.145 10.806 1.00 0.00 C ATOM 280 C GLN A 41 109.898 -6.754 10.312 1.00 0.00 C ATOM 281 O GLN A 41 108.729 -6.441 10.204 1.00 0.00 O ATOM 282 CB GLN A 41 111.056 -8.900 9.712 1.00 0.00 C ATOM 283 CG GLN A 41 111.693 -10.156 10.308 1.00 0.00 C ATOM 284 CD GLN A 41 112.802 -9.752 11.280 1.00 0.00 C ATOM 285 OE1 GLN A 41 112.776 -10.121 12.437 1.00 0.00 O ATOM 286 NE2 GLN A 41 113.783 -9.001 10.857 1.00 0.00 N ATOM 0 H GLN A 41 108.426 -9.042 10.306 1.00 0.00 H new ATOM 0 HA GLN A 41 110.907 -8.000 11.700 1.00 0.00 H new ATOM 0 HB2 GLN A 41 110.375 -9.172 8.906 1.00 0.00 H new ATOM 0 HB3 GLN A 41 111.824 -8.260 9.278 1.00 0.00 H new ATOM 0 HG2 GLN A 41 110.939 -10.749 10.826 1.00 0.00 H new ATOM 0 HG3 GLN A 41 112.101 -10.782 9.514 1.00 0.00 H new ATOM 0 HE21 GLN A 41 113.806 -8.691 9.886 1.00 0.00 H new ATOM 0 HE22 GLN A 41 114.527 -8.725 11.498 1.00 0.00 H new ATOM 295 N SER A 42 110.862 -5.921 10.012 1.00 0.00 N ATOM 296 CA SER A 42 110.544 -4.548 9.519 1.00 0.00 C ATOM 297 C SER A 42 111.685 -4.019 8.647 1.00 0.00 C ATOM 298 O SER A 42 112.830 -3.988 9.053 1.00 0.00 O ATOM 299 CB SER A 42 110.390 -3.698 10.779 1.00 0.00 C ATOM 300 OG SER A 42 111.609 -3.714 11.508 1.00 0.00 O ATOM 0 H SER A 42 111.857 -6.133 10.088 1.00 0.00 H new ATOM 0 HA SER A 42 109.644 -4.530 8.905 1.00 0.00 H new ATOM 0 HB2 SER A 42 110.126 -2.675 10.511 1.00 0.00 H new ATOM 0 HB3 SER A 42 109.579 -4.085 11.396 1.00 0.00 H new ATOM 0 HG SER A 42 112.354 -3.892 10.896 1.00 0.00 H new ATOM 306 N PHE A 43 111.371 -3.602 7.450 1.00 0.00 N ATOM 307 CA PHE A 43 112.419 -3.068 6.523 1.00 0.00 C ATOM 308 C PHE A 43 111.949 -1.743 5.917 1.00 0.00 C ATOM 309 O PHE A 43 110.897 -1.235 6.263 1.00 0.00 O ATOM 310 CB PHE A 43 112.592 -4.128 5.422 1.00 0.00 C ATOM 311 CG PHE A 43 111.242 -4.520 4.858 1.00 0.00 C ATOM 312 CD1 PHE A 43 110.543 -5.593 5.423 1.00 0.00 C ATOM 313 CD2 PHE A 43 110.687 -3.811 3.787 1.00 0.00 C ATOM 314 CE1 PHE A 43 109.296 -5.957 4.922 1.00 0.00 C ATOM 315 CE2 PHE A 43 109.434 -4.179 3.283 1.00 0.00 C ATOM 316 CZ PHE A 43 108.741 -5.252 3.853 1.00 0.00 C ATOM 0 H PHE A 43 110.425 -3.607 7.068 1.00 0.00 H new ATOM 0 HA PHE A 43 113.359 -2.879 7.041 1.00 0.00 H new ATOM 0 HB2 PHE A 43 113.227 -3.737 4.627 1.00 0.00 H new ATOM 0 HB3 PHE A 43 113.094 -5.006 5.828 1.00 0.00 H new ATOM 0 HD1 PHE A 43 110.972 -6.140 6.250 1.00 0.00 H new ATOM 0 HD2 PHE A 43 111.224 -2.982 3.350 1.00 0.00 H new ATOM 0 HE1 PHE A 43 108.758 -6.785 5.360 1.00 0.00 H new ATOM 0 HE2 PHE A 43 109.003 -3.635 2.455 1.00 0.00 H new ATOM 0 HZ PHE A 43 107.774 -5.536 3.465 1.00 0.00 H new ATOM 326 N LEU A 44 112.717 -1.179 5.018 1.00 0.00 N ATOM 327 CA LEU A 44 112.310 0.115 4.393 1.00 0.00 C ATOM 328 C LEU A 44 112.330 0.002 2.866 1.00 0.00 C ATOM 329 O LEU A 44 113.094 -0.757 2.300 1.00 0.00 O ATOM 330 CB LEU A 44 113.343 1.141 4.874 1.00 0.00 C ATOM 331 CG LEU A 44 113.353 1.205 6.408 1.00 0.00 C ATOM 332 CD1 LEU A 44 114.352 2.271 6.864 1.00 0.00 C ATOM 333 CD2 LEU A 44 111.953 1.563 6.934 1.00 0.00 C ATOM 0 H LEU A 44 113.606 -1.558 4.691 1.00 0.00 H new ATOM 0 HA LEU A 44 111.296 0.401 4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 44 114.333 0.870 4.508 1.00 0.00 H new ATOM 0 HB3 LEU A 44 113.109 2.123 4.463 1.00 0.00 H new ATOM 0 HG LEU A 44 113.643 0.231 6.802 1.00 0.00 H new ATOM 0 HD11 LEU A 44 114.361 2.319 7.953 1.00 0.00 H new ATOM 0 HD12 LEU A 44 115.348 2.014 6.503 1.00 0.00 H new ATOM 0 HD13 LEU A 44 114.059 3.240 6.461 1.00 0.00 H new ATOM 0 HD21 LEU A 44 111.973 1.605 8.023 1.00 0.00 H new ATOM 0 HD22 LEU A 44 111.653 2.533 6.539 1.00 0.00 H new ATOM 0 HD23 LEU A 44 111.239 0.804 6.614 1.00 0.00 H new ATOM 345 N ALA A 45 111.489 0.753 2.199 1.00 0.00 N ATOM 346 CA ALA A 45 111.441 0.701 0.708 1.00 0.00 C ATOM 347 C ALA A 45 111.930 2.026 0.114 1.00 0.00 C ATOM 348 O ALA A 45 111.986 3.035 0.792 1.00 0.00 O ATOM 349 CB ALA A 45 109.969 0.470 0.370 1.00 0.00 C ATOM 0 H ALA A 45 110.830 1.403 2.628 1.00 0.00 H new ATOM 0 HA ALA A 45 112.081 -0.081 0.300 1.00 0.00 H new ATOM 0 HB1 ALA A 45 109.848 0.419 -0.712 1.00 0.00 H new ATOM 0 HB2 ALA A 45 109.636 -0.467 0.817 1.00 0.00 H new ATOM 0 HB3 ALA A 45 109.372 1.292 0.764 1.00 0.00 H new ATOM 355 N THR A 46 112.290 2.027 -1.146 1.00 0.00 N ATOM 356 CA THR A 46 112.783 3.283 -1.790 1.00 0.00 C ATOM 357 C THR A 46 112.067 3.514 -3.124 1.00 0.00 C ATOM 358 O THR A 46 112.008 2.637 -3.963 1.00 0.00 O ATOM 359 CB THR A 46 114.277 3.047 -2.017 1.00 0.00 C ATOM 360 OG1 THR A 46 114.453 1.904 -2.844 1.00 0.00 O ATOM 361 CG2 THR A 46 114.968 2.817 -0.673 1.00 0.00 C ATOM 0 H THR A 46 112.263 1.211 -1.757 1.00 0.00 H new ATOM 0 HA THR A 46 112.596 4.164 -1.175 1.00 0.00 H new ATOM 0 HB THR A 46 114.714 3.919 -2.503 1.00 0.00 H new ATOM 0 HG1 THR A 46 113.682 1.810 -3.441 1.00 0.00 H new ATOM 0 HG21 THR A 46 116.033 2.649 -0.835 1.00 0.00 H new ATOM 0 HG22 THR A 46 114.832 3.693 -0.039 1.00 0.00 H new ATOM 0 HG23 THR A 46 114.533 1.945 -0.185 1.00 0.00 H new ATOM 369 N CYS A 47 111.527 4.690 -3.324 1.00 0.00 N ATOM 370 CA CYS A 47 110.811 4.984 -4.604 1.00 0.00 C ATOM 371 C CYS A 47 111.816 5.278 -5.722 1.00 0.00 C ATOM 372 O CYS A 47 112.467 6.306 -5.728 1.00 0.00 O ATOM 373 CB CYS A 47 109.962 6.222 -4.310 1.00 0.00 C ATOM 374 SG CYS A 47 108.628 5.780 -3.170 1.00 0.00 S ATOM 0 H CYS A 47 111.551 5.460 -2.656 1.00 0.00 H new ATOM 0 HA CYS A 47 110.204 4.142 -4.937 1.00 0.00 H new ATOM 0 HB2 CYS A 47 110.582 7.006 -3.875 1.00 0.00 H new ATOM 0 HB3 CYS A 47 109.547 6.620 -5.236 1.00 0.00 H new ATOM 0 HG CYS A 47 108.212 4.577 -3.435 1.00 0.00 H new ATOM 380 N VAL A 48 111.942 4.381 -6.669 1.00 0.00 N ATOM 381 CA VAL A 48 112.902 4.601 -7.794 1.00 0.00 C ATOM 382 C VAL A 48 112.207 4.365 -9.139 1.00 0.00 C ATOM 383 O VAL A 48 111.508 3.392 -9.317 1.00 0.00 O ATOM 384 CB VAL A 48 114.024 3.580 -7.576 1.00 0.00 C ATOM 385 CG1 VAL A 48 115.091 3.741 -8.663 1.00 0.00 C ATOM 386 CG2 VAL A 48 114.669 3.807 -6.205 1.00 0.00 C ATOM 0 H VAL A 48 111.421 3.505 -6.711 1.00 0.00 H new ATOM 0 HA VAL A 48 113.285 5.621 -7.812 1.00 0.00 H new ATOM 0 HB VAL A 48 113.603 2.576 -7.623 1.00 0.00 H new ATOM 0 HG11 VAL A 48 115.886 3.013 -8.503 1.00 0.00 H new ATOM 0 HG12 VAL A 48 114.641 3.577 -9.642 1.00 0.00 H new ATOM 0 HG13 VAL A 48 115.507 4.748 -8.619 1.00 0.00 H new ATOM 0 HG21 VAL A 48 115.466 3.079 -6.053 1.00 0.00 H new ATOM 0 HG22 VAL A 48 115.083 4.814 -6.160 1.00 0.00 H new ATOM 0 HG23 VAL A 48 113.917 3.689 -5.425 1.00 0.00 H new ATOM 396 N ASN A 49 112.402 5.264 -10.075 1.00 0.00 N ATOM 397 CA ASN A 49 111.784 5.148 -11.442 1.00 0.00 C ATOM 398 C ASN A 49 110.303 4.721 -11.389 1.00 0.00 C ATOM 399 O ASN A 49 109.820 4.035 -12.268 1.00 0.00 O ATOM 400 CB ASN A 49 112.653 4.135 -12.219 1.00 0.00 C ATOM 401 CG ASN A 49 112.422 2.701 -11.729 1.00 0.00 C ATOM 402 OD1 ASN A 49 111.375 2.128 -11.956 1.00 0.00 O ATOM 403 ND2 ASN A 49 113.365 2.092 -11.063 1.00 0.00 N ATOM 0 H ASN A 49 112.978 6.096 -9.948 1.00 0.00 H new ATOM 0 HA ASN A 49 111.769 6.117 -11.940 1.00 0.00 H new ATOM 0 HB2 ASN A 49 112.423 4.198 -13.283 1.00 0.00 H new ATOM 0 HB3 ASN A 49 113.705 4.394 -12.104 1.00 0.00 H new ATOM 0 HD21 ASN A 49 113.222 1.137 -10.734 1.00 0.00 H new ATOM 0 HD22 ASN A 49 114.245 2.571 -10.871 1.00 0.00 H new ATOM 410 N GLY A 50 109.579 5.148 -10.383 1.00 0.00 N ATOM 411 CA GLY A 50 108.126 4.794 -10.292 1.00 0.00 C ATOM 412 C GLY A 50 107.916 3.468 -9.547 1.00 0.00 C ATOM 413 O GLY A 50 106.828 3.186 -9.081 1.00 0.00 O ATOM 0 H GLY A 50 109.931 5.727 -9.620 1.00 0.00 H new ATOM 0 HA2 GLY A 50 107.588 5.591 -9.778 1.00 0.00 H new ATOM 0 HA3 GLY A 50 107.705 4.720 -11.295 1.00 0.00 H new ATOM 417 N VAL A 51 108.933 2.650 -9.435 1.00 0.00 N ATOM 418 CA VAL A 51 108.773 1.344 -8.725 1.00 0.00 C ATOM 419 C VAL A 51 109.524 1.370 -7.389 1.00 0.00 C ATOM 420 O VAL A 51 110.693 1.705 -7.332 1.00 0.00 O ATOM 421 CB VAL A 51 109.378 0.299 -9.669 1.00 0.00 C ATOM 422 CG1 VAL A 51 109.271 -1.094 -9.040 1.00 0.00 C ATOM 423 CG2 VAL A 51 108.621 0.308 -11.001 1.00 0.00 C ATOM 0 H VAL A 51 109.867 2.830 -9.804 1.00 0.00 H new ATOM 0 HA VAL A 51 107.730 1.125 -8.495 1.00 0.00 H new ATOM 0 HB VAL A 51 110.427 0.541 -9.841 1.00 0.00 H new ATOM 0 HG11 VAL A 51 109.703 -1.832 -9.716 1.00 0.00 H new ATOM 0 HG12 VAL A 51 109.812 -1.108 -8.094 1.00 0.00 H new ATOM 0 HG13 VAL A 51 108.223 -1.334 -8.863 1.00 0.00 H new ATOM 0 HG21 VAL A 51 109.053 -0.436 -11.670 1.00 0.00 H new ATOM 0 HG22 VAL A 51 107.572 0.071 -10.825 1.00 0.00 H new ATOM 0 HG23 VAL A 51 108.699 1.295 -11.457 1.00 0.00 H new ATOM 433 N CYS A 52 108.860 1.013 -6.319 1.00 0.00 N ATOM 434 CA CYS A 52 109.528 1.008 -4.982 1.00 0.00 C ATOM 435 C CYS A 52 110.436 -0.220 -4.862 1.00 0.00 C ATOM 436 O CYS A 52 110.166 -1.254 -5.444 1.00 0.00 O ATOM 437 CB CYS A 52 108.386 0.937 -3.966 1.00 0.00 C ATOM 438 SG CYS A 52 107.484 2.506 -3.962 1.00 0.00 S ATOM 0 H CYS A 52 107.882 0.724 -6.314 1.00 0.00 H new ATOM 0 HA CYS A 52 110.153 1.887 -4.824 1.00 0.00 H new ATOM 0 HB2 CYS A 52 107.712 0.118 -4.217 1.00 0.00 H new ATOM 0 HB3 CYS A 52 108.782 0.730 -2.972 1.00 0.00 H new ATOM 0 HG CYS A 52 106.512 2.446 -3.100 1.00 0.00 H new ATOM 444 N TRP A 53 111.509 -0.114 -4.116 1.00 0.00 N ATOM 445 CA TRP A 53 112.433 -1.280 -3.968 1.00 0.00 C ATOM 446 C TRP A 53 112.825 -1.488 -2.504 1.00 0.00 C ATOM 447 O TRP A 53 113.140 -0.554 -1.792 1.00 0.00 O ATOM 448 CB TRP A 53 113.663 -0.913 -4.795 1.00 0.00 C ATOM 449 CG TRP A 53 113.315 -0.952 -6.247 1.00 0.00 C ATOM 450 CD1 TRP A 53 112.898 0.112 -6.971 1.00 0.00 C ATOM 451 CD2 TRP A 53 113.340 -2.085 -7.162 1.00 0.00 C ATOM 452 NE1 TRP A 53 112.669 -0.296 -8.272 1.00 0.00 N ATOM 453 CE2 TRP A 53 112.927 -1.640 -8.441 1.00 0.00 C ATOM 454 CE3 TRP A 53 113.679 -3.442 -7.011 1.00 0.00 C ATOM 455 CZ2 TRP A 53 112.852 -2.509 -9.529 1.00 0.00 C ATOM 456 CZ3 TRP A 53 113.605 -4.320 -8.105 1.00 0.00 C ATOM 457 CH2 TRP A 53 113.192 -3.855 -9.361 1.00 0.00 C ATOM 0 H TRP A 53 111.783 0.726 -3.606 1.00 0.00 H new ATOM 0 HA TRP A 53 111.967 -2.208 -4.300 1.00 0.00 H new ATOM 0 HB2 TRP A 53 114.016 0.081 -4.521 1.00 0.00 H new ATOM 0 HB3 TRP A 53 114.476 -1.608 -4.586 1.00 0.00 H new ATOM 0 HD1 TRP A 53 112.766 1.116 -6.594 1.00 0.00 H new ATOM 0 HE1 TRP A 53 112.348 0.322 -9.017 1.00 0.00 H new ATOM 0 HE3 TRP A 53 113.998 -3.811 -6.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 112.534 -2.145 -10.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 113.868 -5.360 -7.977 1.00 0.00 H new ATOM 0 HH2 TRP A 53 113.136 -4.535 -10.198 1.00 0.00 H new ATOM 468 N THR A 54 112.826 -2.717 -2.069 1.00 0.00 N ATOM 469 CA THR A 54 113.215 -3.034 -0.663 1.00 0.00 C ATOM 470 C THR A 54 114.108 -4.275 -0.661 1.00 0.00 C ATOM 471 O THR A 54 114.351 -4.865 -1.698 1.00 0.00 O ATOM 472 CB THR A 54 111.895 -3.305 0.071 1.00 0.00 C ATOM 473 OG1 THR A 54 112.169 -3.643 1.428 1.00 0.00 O ATOM 474 CG2 THR A 54 111.141 -4.453 -0.611 1.00 0.00 C ATOM 0 H THR A 54 112.571 -3.527 -2.634 1.00 0.00 H new ATOM 0 HA THR A 54 113.772 -2.229 -0.184 1.00 0.00 H new ATOM 0 HB THR A 54 111.274 -2.410 0.039 1.00 0.00 H new ATOM 0 HG1 THR A 54 111.348 -3.961 1.858 1.00 0.00 H new ATOM 0 HG21 THR A 54 110.205 -4.638 -0.083 1.00 0.00 H new ATOM 0 HG22 THR A 54 110.927 -4.184 -1.645 1.00 0.00 H new ATOM 0 HG23 THR A 54 111.754 -5.354 -0.590 1.00 0.00 H new ATOM 482 N VAL A 55 114.581 -4.691 0.484 1.00 0.00 N ATOM 483 CA VAL A 55 115.440 -5.909 0.530 1.00 0.00 C ATOM 484 C VAL A 55 114.545 -7.152 0.494 1.00 0.00 C ATOM 485 O VAL A 55 113.478 -7.173 1.078 1.00 0.00 O ATOM 486 CB VAL A 55 116.200 -5.816 1.855 1.00 0.00 C ATOM 487 CG1 VAL A 55 117.109 -7.040 2.016 1.00 0.00 C ATOM 488 CG2 VAL A 55 117.052 -4.543 1.863 1.00 0.00 C ATOM 0 H VAL A 55 114.411 -4.243 1.384 1.00 0.00 H new ATOM 0 HA VAL A 55 116.129 -5.978 -0.312 1.00 0.00 H new ATOM 0 HB VAL A 55 115.488 -5.785 2.680 1.00 0.00 H new ATOM 0 HG11 VAL A 55 117.649 -6.971 2.960 1.00 0.00 H new ATOM 0 HG12 VAL A 55 116.503 -7.946 2.010 1.00 0.00 H new ATOM 0 HG13 VAL A 55 117.822 -7.075 1.192 1.00 0.00 H new ATOM 0 HG21 VAL A 55 117.595 -4.474 2.806 1.00 0.00 H new ATOM 0 HG22 VAL A 55 117.763 -4.576 1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 55 116.406 -3.672 1.752 1.00 0.00 H new ATOM 498 N TYR A 56 114.964 -8.178 -0.202 1.00 0.00 N ATOM 499 CA TYR A 56 114.129 -9.414 -0.297 1.00 0.00 C ATOM 500 C TYR A 56 114.374 -10.349 0.902 1.00 0.00 C ATOM 501 O TYR A 56 113.443 -10.925 1.436 1.00 0.00 O ATOM 502 CB TYR A 56 114.564 -10.067 -1.630 1.00 0.00 C ATOM 503 CG TYR A 56 114.136 -11.520 -1.683 1.00 0.00 C ATOM 504 CD1 TYR A 56 112.950 -11.891 -2.327 1.00 0.00 C ATOM 505 CD2 TYR A 56 114.930 -12.489 -1.059 1.00 0.00 C ATOM 506 CE1 TYR A 56 112.561 -13.239 -2.340 1.00 0.00 C ATOM 507 CE2 TYR A 56 114.547 -13.827 -1.074 1.00 0.00 C ATOM 508 CZ TYR A 56 113.359 -14.206 -1.714 1.00 0.00 C ATOM 509 OH TYR A 56 112.975 -15.532 -1.728 1.00 0.00 O ATOM 0 H TYR A 56 115.848 -8.213 -0.709 1.00 0.00 H new ATOM 0 HA TYR A 56 113.061 -9.198 -0.276 1.00 0.00 H new ATOM 0 HB2 TYR A 56 114.125 -9.523 -2.467 1.00 0.00 H new ATOM 0 HB3 TYR A 56 115.646 -9.998 -1.738 1.00 0.00 H new ATOM 0 HD1 TYR A 56 112.338 -11.144 -2.811 1.00 0.00 H new ATOM 0 HD2 TYR A 56 115.844 -12.197 -0.564 1.00 0.00 H new ATOM 0 HE1 TYR A 56 111.646 -13.532 -2.833 1.00 0.00 H new ATOM 0 HE2 TYR A 56 115.164 -14.572 -0.593 1.00 0.00 H new ATOM 0 HH TYR A 56 113.640 -16.070 -1.250 1.00 0.00 H new ATOM 519 N HIS A 57 115.608 -10.539 1.297 1.00 0.00 N ATOM 520 CA HIS A 57 115.886 -11.480 2.426 1.00 0.00 C ATOM 521 C HIS A 57 115.152 -11.051 3.706 1.00 0.00 C ATOM 522 O HIS A 57 114.930 -11.850 4.597 1.00 0.00 O ATOM 523 CB HIS A 57 117.414 -11.483 2.599 1.00 0.00 C ATOM 524 CG HIS A 57 117.934 -10.217 3.231 1.00 0.00 C ATOM 525 ND1 HIS A 57 118.974 -9.476 2.659 1.00 0.00 N ATOM 526 CD2 HIS A 57 117.628 -9.586 4.412 1.00 0.00 C ATOM 527 CE1 HIS A 57 119.256 -8.456 3.497 1.00 0.00 C ATOM 528 NE2 HIS A 57 118.462 -8.500 4.557 1.00 0.00 N ATOM 0 H HIS A 57 116.428 -10.088 0.891 1.00 0.00 H new ATOM 0 HA HIS A 57 115.520 -12.485 2.215 1.00 0.00 H new ATOM 0 HB2 HIS A 57 117.704 -12.336 3.213 1.00 0.00 H new ATOM 0 HB3 HIS A 57 117.885 -11.617 1.625 1.00 0.00 H new ATOM 0 HD1 HIS A 57 119.435 -9.671 1.770 1.00 0.00 H new ATOM 0 HD2 HIS A 57 116.862 -9.891 5.110 1.00 0.00 H new ATOM 0 HE1 HIS A 57 120.019 -7.711 3.328 1.00 0.00 H new ATOM 536 N GLY A 58 114.778 -9.799 3.801 1.00 0.00 N ATOM 537 CA GLY A 58 114.060 -9.319 5.019 1.00 0.00 C ATOM 538 C GLY A 58 112.554 -9.531 4.851 1.00 0.00 C ATOM 539 O GLY A 58 111.908 -10.134 5.687 1.00 0.00 O ATOM 0 H GLY A 58 114.940 -9.089 3.086 1.00 0.00 H new ATOM 0 HA2 GLY A 58 114.416 -9.857 5.898 1.00 0.00 H new ATOM 0 HA3 GLY A 58 114.271 -8.263 5.184 1.00 0.00 H new ATOM 543 N ALA A 59 111.991 -9.033 3.779 1.00 0.00 N ATOM 544 CA ALA A 59 110.522 -9.197 3.553 1.00 0.00 C ATOM 545 C ALA A 59 110.218 -10.592 3.001 1.00 0.00 C ATOM 546 O ALA A 59 109.534 -11.380 3.626 1.00 0.00 O ATOM 547 CB ALA A 59 110.155 -8.123 2.528 1.00 0.00 C ATOM 0 H ALA A 59 112.486 -8.519 3.050 1.00 0.00 H new ATOM 0 HA ALA A 59 109.951 -9.093 4.476 1.00 0.00 H new ATOM 0 HB1 ALA A 59 109.089 -8.179 2.309 1.00 0.00 H new ATOM 0 HB2 ALA A 59 110.392 -7.139 2.932 1.00 0.00 H new ATOM 0 HB3 ALA A 59 110.723 -8.285 1.612 1.00 0.00 H new ATOM 553 N GLY A 60 110.720 -10.900 1.831 1.00 0.00 N ATOM 554 CA GLY A 60 110.463 -12.242 1.230 1.00 0.00 C ATOM 555 C GLY A 60 109.228 -12.170 0.329 1.00 0.00 C ATOM 556 O GLY A 60 109.003 -11.187 -0.351 1.00 0.00 O ATOM 0 H GLY A 60 111.298 -10.278 1.266 1.00 0.00 H new ATOM 0 HA2 GLY A 60 111.329 -12.566 0.653 1.00 0.00 H new ATOM 0 HA3 GLY A 60 110.310 -12.981 2.016 1.00 0.00 H new ATOM 719 N THR A 72 100.126 -6.853 -4.128 1.00 0.00 N ATOM 720 CA THR A 72 100.408 -8.067 -4.955 1.00 0.00 C ATOM 721 C THR A 72 101.903 -8.154 -5.270 1.00 0.00 C ATOM 722 O THR A 72 102.508 -7.196 -5.710 1.00 0.00 O ATOM 723 CB THR A 72 99.600 -7.871 -6.239 1.00 0.00 C ATOM 724 OG1 THR A 72 98.230 -7.685 -5.912 1.00 0.00 O ATOM 725 CG2 THR A 72 99.752 -9.104 -7.131 1.00 0.00 C ATOM 0 HA THR A 72 100.136 -8.989 -4.441 1.00 0.00 H new ATOM 0 HB THR A 72 99.968 -6.993 -6.770 1.00 0.00 H new ATOM 0 HG1 THR A 72 98.158 -7.119 -5.115 1.00 0.00 H new ATOM 0 HG21 THR A 72 99.176 -8.964 -8.046 1.00 0.00 H new ATOM 0 HG22 THR A 72 100.803 -9.244 -7.382 1.00 0.00 H new ATOM 0 HG23 THR A 72 99.385 -9.983 -6.602 1.00 0.00 H new ATOM 733 N GLN A 73 102.500 -9.297 -5.047 1.00 0.00 N ATOM 734 CA GLN A 73 103.961 -9.455 -5.329 1.00 0.00 C ATOM 735 C GLN A 73 104.228 -9.394 -6.837 1.00 0.00 C ATOM 736 O GLN A 73 103.611 -10.098 -7.613 1.00 0.00 O ATOM 737 CB GLN A 73 104.327 -10.837 -4.778 1.00 0.00 C ATOM 738 CG GLN A 73 105.833 -11.087 -4.951 1.00 0.00 C ATOM 739 CD GLN A 73 106.062 -12.453 -5.603 1.00 0.00 C ATOM 740 OE1 GLN A 73 106.058 -13.467 -4.934 1.00 0.00 O ATOM 741 NE2 GLN A 73 106.258 -12.522 -6.892 1.00 0.00 N ATOM 0 H GLN A 73 102.039 -10.130 -4.681 1.00 0.00 H new ATOM 0 HA GLN A 73 104.552 -8.661 -4.872 1.00 0.00 H new ATOM 0 HB2 GLN A 73 104.058 -10.901 -3.724 1.00 0.00 H new ATOM 0 HB3 GLN A 73 103.759 -11.608 -5.299 1.00 0.00 H new ATOM 0 HG2 GLN A 73 106.273 -10.302 -5.566 1.00 0.00 H new ATOM 0 HG3 GLN A 73 106.331 -11.049 -3.982 1.00 0.00 H new ATOM 0 HE21 GLN A 73 106.261 -11.671 -7.454 1.00 0.00 H new ATOM 0 HE22 GLN A 73 106.408 -13.427 -7.337 1.00 0.00 H new ATOM 750 N MET A 74 105.153 -8.563 -7.252 1.00 0.00 N ATOM 751 CA MET A 74 105.475 -8.456 -8.707 1.00 0.00 C ATOM 752 C MET A 74 106.940 -8.833 -8.952 1.00 0.00 C ATOM 753 O MET A 74 107.245 -9.637 -9.813 1.00 0.00 O ATOM 754 CB MET A 74 105.224 -6.990 -9.070 1.00 0.00 C ATOM 755 CG MET A 74 103.725 -6.766 -9.280 1.00 0.00 C ATOM 756 SD MET A 74 103.470 -5.298 -10.310 1.00 0.00 S ATOM 757 CE MET A 74 104.232 -4.096 -9.192 1.00 0.00 C ATOM 0 H MET A 74 105.699 -7.953 -6.643 1.00 0.00 H new ATOM 0 HA MET A 74 104.869 -9.129 -9.314 1.00 0.00 H new ATOM 0 HB2 MET A 74 105.592 -6.340 -8.277 1.00 0.00 H new ATOM 0 HB3 MET A 74 105.772 -6.730 -9.976 1.00 0.00 H new ATOM 0 HG2 MET A 74 103.280 -7.639 -9.757 1.00 0.00 H new ATOM 0 HG3 MET A 74 103.228 -6.639 -8.318 1.00 0.00 H new ATOM 0 HE1 MET A 74 104.090 -3.090 -9.587 1.00 0.00 H new ATOM 0 HE2 MET A 74 103.768 -4.169 -8.209 1.00 0.00 H new ATOM 0 HE3 MET A 74 105.298 -4.304 -9.106 1.00 0.00 H new ATOM 767 N TYR A 75 107.847 -8.260 -8.198 1.00 0.00 N ATOM 768 CA TYR A 75 109.294 -8.587 -8.381 1.00 0.00 C ATOM 769 C TYR A 75 109.810 -9.387 -7.181 1.00 0.00 C ATOM 770 O TYR A 75 109.641 -8.991 -6.043 1.00 0.00 O ATOM 771 CB TYR A 75 110.002 -7.234 -8.468 1.00 0.00 C ATOM 772 CG TYR A 75 109.507 -6.482 -9.680 1.00 0.00 C ATOM 773 CD1 TYR A 75 109.684 -7.021 -10.960 1.00 0.00 C ATOM 774 CD2 TYR A 75 108.872 -5.244 -9.522 1.00 0.00 C ATOM 775 CE1 TYR A 75 109.226 -6.322 -12.083 1.00 0.00 C ATOM 776 CE2 TYR A 75 108.414 -4.545 -10.644 1.00 0.00 C ATOM 777 CZ TYR A 75 108.590 -5.083 -11.925 1.00 0.00 C ATOM 778 OH TYR A 75 108.139 -4.394 -13.032 1.00 0.00 O ATOM 0 H TYR A 75 107.647 -7.580 -7.464 1.00 0.00 H new ATOM 0 HA TYR A 75 109.470 -9.195 -9.269 1.00 0.00 H new ATOM 0 HB2 TYR A 75 109.812 -6.654 -7.565 1.00 0.00 H new ATOM 0 HB3 TYR A 75 111.080 -7.380 -8.533 1.00 0.00 H new ATOM 0 HD1 TYR A 75 110.174 -7.976 -11.081 1.00 0.00 H new ATOM 0 HD2 TYR A 75 108.736 -4.829 -8.534 1.00 0.00 H new ATOM 0 HE1 TYR A 75 109.363 -6.737 -13.071 1.00 0.00 H new ATOM 0 HE2 TYR A 75 107.924 -3.590 -10.522 1.00 0.00 H new ATOM 0 HH TYR A 75 107.721 -3.555 -12.747 1.00 0.00 H new ATOM 788 N THR A 76 110.432 -10.511 -7.430 1.00 0.00 N ATOM 789 CA THR A 76 110.958 -11.350 -6.310 1.00 0.00 C ATOM 790 C THR A 76 112.181 -12.145 -6.780 1.00 0.00 C ATOM 791 O THR A 76 112.106 -12.896 -7.736 1.00 0.00 O ATOM 792 CB THR A 76 109.801 -12.291 -5.964 1.00 0.00 C ATOM 793 OG1 THR A 76 108.668 -11.522 -5.586 1.00 0.00 O ATOM 794 CG2 THR A 76 110.203 -13.208 -4.810 1.00 0.00 C ATOM 0 H THR A 76 110.599 -10.885 -8.364 1.00 0.00 H new ATOM 0 HA THR A 76 111.278 -10.759 -5.452 1.00 0.00 H new ATOM 0 HB THR A 76 109.559 -12.900 -6.835 1.00 0.00 H new ATOM 0 HG1 THR A 76 108.504 -11.631 -4.626 1.00 0.00 H new ATOM 0 HG21 THR A 76 109.375 -13.875 -4.569 1.00 0.00 H new ATOM 0 HG22 THR A 76 111.072 -13.799 -5.100 1.00 0.00 H new ATOM 0 HG23 THR A 76 110.450 -12.606 -3.936 1.00 0.00 H new ATOM 802 N ASN A 77 113.307 -11.984 -6.124 1.00 0.00 N ATOM 803 CA ASN A 77 114.530 -12.735 -6.551 1.00 0.00 C ATOM 804 C ASN A 77 115.591 -12.745 -5.444 1.00 0.00 C ATOM 805 O ASN A 77 116.003 -11.708 -4.962 1.00 0.00 O ATOM 806 CB ASN A 77 115.040 -11.961 -7.765 1.00 0.00 C ATOM 807 CG ASN A 77 116.233 -12.693 -8.387 1.00 0.00 C ATOM 808 OD1 ASN A 77 116.875 -13.498 -7.741 1.00 0.00 O ATOM 809 ND2 ASN A 77 116.557 -12.446 -9.626 1.00 0.00 N ATOM 0 H ASN A 77 113.431 -11.371 -5.319 1.00 0.00 H new ATOM 0 HA ASN A 77 114.312 -13.780 -6.772 1.00 0.00 H new ATOM 0 HB2 ASN A 77 114.243 -11.856 -8.501 1.00 0.00 H new ATOM 0 HB3 ASN A 77 115.335 -10.954 -7.468 1.00 0.00 H new ATOM 0 HD21 ASN A 77 117.348 -12.928 -10.052 1.00 0.00 H new ATOM 0 HD22 ASN A 77 116.019 -11.771 -10.169 1.00 0.00 H new ATOM 816 N VAL A 78 116.045 -13.914 -5.051 1.00 0.00 N ATOM 817 CA VAL A 78 117.094 -13.993 -3.988 1.00 0.00 C ATOM 818 C VAL A 78 118.442 -13.526 -4.557 1.00 0.00 C ATOM 819 O VAL A 78 119.211 -12.865 -3.884 1.00 0.00 O ATOM 820 CB VAL A 78 117.152 -15.475 -3.568 1.00 0.00 C ATOM 821 CG1 VAL A 78 118.306 -15.715 -2.577 1.00 0.00 C ATOM 822 CG2 VAL A 78 115.837 -15.863 -2.888 1.00 0.00 C ATOM 0 H VAL A 78 115.734 -14.812 -5.421 1.00 0.00 H new ATOM 0 HA VAL A 78 116.868 -13.355 -3.134 1.00 0.00 H new ATOM 0 HB VAL A 78 117.313 -16.079 -4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 78 118.329 -16.767 -2.293 1.00 0.00 H new ATOM 0 HG12 VAL A 78 119.252 -15.445 -3.047 1.00 0.00 H new ATOM 0 HG13 VAL A 78 118.155 -15.103 -1.688 1.00 0.00 H new ATOM 0 HG21 VAL A 78 115.877 -16.911 -2.590 1.00 0.00 H new ATOM 0 HG22 VAL A 78 115.686 -15.241 -2.006 1.00 0.00 H new ATOM 0 HG23 VAL A 78 115.010 -15.714 -3.583 1.00 0.00 H new ATOM 832 N ASP A 79 118.735 -13.876 -5.786 1.00 0.00 N ATOM 833 CA ASP A 79 120.040 -13.465 -6.402 1.00 0.00 C ATOM 834 C ASP A 79 120.206 -11.944 -6.341 1.00 0.00 C ATOM 835 O ASP A 79 121.280 -11.438 -6.076 1.00 0.00 O ATOM 836 CB ASP A 79 119.964 -13.935 -7.854 1.00 0.00 C ATOM 837 CG ASP A 79 121.314 -13.704 -8.537 1.00 0.00 C ATOM 838 OD1 ASP A 79 121.967 -14.684 -8.859 1.00 0.00 O ATOM 839 OD2 ASP A 79 121.671 -12.554 -8.725 1.00 0.00 O ATOM 0 H ASP A 79 118.128 -14.429 -6.391 1.00 0.00 H new ATOM 0 HA ASP A 79 120.892 -13.897 -5.877 1.00 0.00 H new ATOM 0 HB2 ASP A 79 119.702 -14.992 -7.892 1.00 0.00 H new ATOM 0 HB3 ASP A 79 119.180 -13.393 -8.382 1.00 0.00 H new ATOM 844 N GLN A 80 119.143 -11.219 -6.570 1.00 0.00 N ATOM 845 CA GLN A 80 119.220 -9.731 -6.514 1.00 0.00 C ATOM 846 C GLN A 80 118.892 -9.232 -5.098 1.00 0.00 C ATOM 847 O GLN A 80 119.130 -8.086 -4.769 1.00 0.00 O ATOM 848 CB GLN A 80 118.168 -9.244 -7.510 1.00 0.00 C ATOM 849 CG GLN A 80 118.611 -7.907 -8.107 1.00 0.00 C ATOM 850 CD GLN A 80 119.644 -8.158 -9.207 1.00 0.00 C ATOM 851 OE1 GLN A 80 119.311 -8.647 -10.268 1.00 0.00 O ATOM 852 NE2 GLN A 80 120.893 -7.843 -8.997 1.00 0.00 N ATOM 0 H GLN A 80 118.222 -11.595 -6.794 1.00 0.00 H new ATOM 0 HA GLN A 80 120.216 -9.361 -6.757 1.00 0.00 H new ATOM 0 HB2 GLN A 80 118.033 -9.981 -8.302 1.00 0.00 H new ATOM 0 HB3 GLN A 80 117.205 -9.131 -7.012 1.00 0.00 H new ATOM 0 HG2 GLN A 80 117.751 -7.376 -8.515 1.00 0.00 H new ATOM 0 HG3 GLN A 80 119.038 -7.273 -7.330 1.00 0.00 H new ATOM 0 HE21 GLN A 80 121.173 -7.432 -8.106 1.00 0.00 H new ATOM 0 HE22 GLN A 80 121.590 -8.007 -9.724 1.00 0.00 H new ATOM 861 N ASP A 81 118.335 -10.081 -4.256 1.00 0.00 N ATOM 862 CA ASP A 81 117.979 -9.661 -2.860 1.00 0.00 C ATOM 863 C ASP A 81 117.112 -8.398 -2.889 1.00 0.00 C ATOM 864 O ASP A 81 117.285 -7.504 -2.081 1.00 0.00 O ATOM 865 CB ASP A 81 119.308 -9.353 -2.160 1.00 0.00 C ATOM 866 CG ASP A 81 119.086 -9.240 -0.643 1.00 0.00 C ATOM 867 OD1 ASP A 81 117.966 -9.412 -0.177 1.00 0.00 O ATOM 868 OD2 ASP A 81 120.166 -8.951 0.166 1.00 0.00 O ATOM 0 H ASP A 81 118.112 -11.051 -4.480 1.00 0.00 H new ATOM 0 HA ASP A 81 117.417 -10.440 -2.345 1.00 0.00 H new ATOM 0 HB2 ASP A 81 120.032 -10.139 -2.373 1.00 0.00 H new ATOM 0 HB3 ASP A 81 119.725 -8.423 -2.546 1.00 0.00 H new ATOM 874 N LEU A 82 116.193 -8.311 -3.818 1.00 0.00 N ATOM 875 CA LEU A 82 115.333 -7.095 -3.901 1.00 0.00 C ATOM 876 C LEU A 82 113.893 -7.454 -4.279 1.00 0.00 C ATOM 877 O LEU A 82 113.613 -8.514 -4.816 1.00 0.00 O ATOM 878 CB LEU A 82 115.974 -6.236 -4.993 1.00 0.00 C ATOM 879 CG LEU A 82 116.984 -5.273 -4.367 1.00 0.00 C ATOM 880 CD1 LEU A 82 118.012 -4.865 -5.424 1.00 0.00 C ATOM 881 CD2 LEU A 82 116.256 -4.024 -3.851 1.00 0.00 C ATOM 0 H LEU A 82 116.003 -9.027 -4.519 1.00 0.00 H new ATOM 0 HA LEU A 82 115.275 -6.578 -2.943 1.00 0.00 H new ATOM 0 HB2 LEU A 82 116.470 -6.873 -5.725 1.00 0.00 H new ATOM 0 HB3 LEU A 82 115.206 -5.676 -5.526 1.00 0.00 H new ATOM 0 HG LEU A 82 117.488 -5.764 -3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 82 118.735 -4.178 -4.983 1.00 0.00 H new ATOM 0 HD12 LEU A 82 118.530 -5.752 -5.789 1.00 0.00 H new ATOM 0 HD13 LEU A 82 117.505 -4.374 -6.254 1.00 0.00 H new ATOM 0 HD21 LEU A 82 116.978 -3.340 -3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 82 115.751 -3.529 -4.680 1.00 0.00 H new ATOM 0 HD23 LEU A 82 115.521 -4.315 -3.100 1.00 0.00 H new ATOM 893 N VAL A 83 112.986 -6.557 -4.005 1.00 0.00 N ATOM 894 CA VAL A 83 111.544 -6.781 -4.337 1.00 0.00 C ATOM 895 C VAL A 83 110.950 -5.429 -4.746 1.00 0.00 C ATOM 896 O VAL A 83 111.524 -4.396 -4.449 1.00 0.00 O ATOM 897 CB VAL A 83 110.864 -7.313 -3.053 1.00 0.00 C ATOM 898 CG1 VAL A 83 109.621 -8.114 -3.437 1.00 0.00 C ATOM 899 CG2 VAL A 83 111.803 -8.239 -2.264 1.00 0.00 C ATOM 0 H VAL A 83 113.184 -5.662 -3.557 1.00 0.00 H new ATOM 0 HA VAL A 83 111.403 -7.494 -5.150 1.00 0.00 H new ATOM 0 HB VAL A 83 110.605 -6.456 -2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 83 109.138 -8.491 -2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 83 108.927 -7.471 -3.979 1.00 0.00 H new ATOM 0 HG13 VAL A 83 109.910 -8.952 -4.071 1.00 0.00 H new ATOM 0 HG21 VAL A 83 111.294 -8.595 -1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 83 112.082 -9.090 -2.886 1.00 0.00 H new ATOM 0 HG23 VAL A 83 112.700 -7.690 -1.978 1.00 0.00 H new ATOM 909 N GLY A 84 109.831 -5.406 -5.434 1.00 0.00 N ATOM 910 CA GLY A 84 109.262 -4.086 -5.852 1.00 0.00 C ATOM 911 C GLY A 84 107.752 -4.170 -6.079 1.00 0.00 C ATOM 912 O GLY A 84 107.193 -5.231 -6.284 1.00 0.00 O ATOM 0 H GLY A 84 109.297 -6.227 -5.719 1.00 0.00 H new ATOM 0 HA2 GLY A 84 109.474 -3.339 -5.087 1.00 0.00 H new ATOM 0 HA3 GLY A 84 109.750 -3.752 -6.768 1.00 0.00 H new ATOM 916 N TRP A 85 107.098 -3.036 -6.055 1.00 0.00 N ATOM 917 CA TRP A 85 105.623 -2.990 -6.278 1.00 0.00 C ATOM 918 C TRP A 85 105.262 -1.712 -7.040 1.00 0.00 C ATOM 919 O TRP A 85 106.075 -0.816 -7.174 1.00 0.00 O ATOM 920 CB TRP A 85 105.005 -2.963 -4.881 1.00 0.00 C ATOM 921 CG TRP A 85 105.330 -4.230 -4.164 1.00 0.00 C ATOM 922 CD1 TRP A 85 104.704 -5.412 -4.355 1.00 0.00 C ATOM 923 CD2 TRP A 85 106.345 -4.462 -3.149 1.00 0.00 C ATOM 924 NE1 TRP A 85 105.269 -6.357 -3.518 1.00 0.00 N ATOM 925 CE2 TRP A 85 106.286 -5.820 -2.754 1.00 0.00 C ATOM 926 CE3 TRP A 85 107.301 -3.634 -2.537 1.00 0.00 C ATOM 927 CZ2 TRP A 85 107.146 -6.337 -1.786 1.00 0.00 C ATOM 928 CZ3 TRP A 85 108.168 -4.151 -1.562 1.00 0.00 C ATOM 929 CH2 TRP A 85 108.091 -5.500 -1.187 1.00 0.00 C ATOM 0 H TRP A 85 107.531 -2.128 -5.888 1.00 0.00 H new ATOM 0 HA TRP A 85 105.264 -3.837 -6.862 1.00 0.00 H new ATOM 0 HB2 TRP A 85 105.385 -2.109 -4.321 1.00 0.00 H new ATOM 0 HB3 TRP A 85 103.924 -2.841 -4.953 1.00 0.00 H new ATOM 0 HD1 TRP A 85 103.895 -5.590 -5.048 1.00 0.00 H new ATOM 0 HE1 TRP A 85 104.971 -7.331 -3.471 1.00 0.00 H new ATOM 0 HE3 TRP A 85 107.369 -2.594 -2.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 107.082 -7.377 -1.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 108.899 -3.506 -1.098 1.00 0.00 H new ATOM 0 HH2 TRP A 85 108.761 -5.892 -0.436 1.00 0.00 H new ATOM 940 N GLN A 86 104.053 -1.618 -7.532 1.00 0.00 N ATOM 941 CA GLN A 86 103.645 -0.388 -8.279 1.00 0.00 C ATOM 942 C GLN A 86 103.525 0.796 -7.311 1.00 0.00 C ATOM 943 O GLN A 86 103.113 0.639 -6.176 1.00 0.00 O ATOM 944 CB GLN A 86 102.288 -0.722 -8.915 1.00 0.00 C ATOM 945 CG GLN A 86 101.259 -1.061 -7.832 1.00 0.00 C ATOM 946 CD GLN A 86 99.858 -1.063 -8.444 1.00 0.00 C ATOM 947 OE1 GLN A 86 99.303 -0.019 -8.725 1.00 0.00 O ATOM 948 NE2 GLN A 86 99.256 -2.200 -8.665 1.00 0.00 N ATOM 0 H GLN A 86 103.333 -2.336 -7.450 1.00 0.00 H new ATOM 0 HA GLN A 86 104.375 -0.104 -9.037 1.00 0.00 H new ATOM 0 HB2 GLN A 86 101.938 0.125 -9.506 1.00 0.00 H new ATOM 0 HB3 GLN A 86 102.397 -1.564 -9.598 1.00 0.00 H new ATOM 0 HG2 GLN A 86 101.479 -2.036 -7.398 1.00 0.00 H new ATOM 0 HG3 GLN A 86 101.313 -0.333 -7.023 1.00 0.00 H new ATOM 0 HE21 GLN A 86 99.720 -3.077 -8.430 1.00 0.00 H new ATOM 0 HE22 GLN A 86 98.321 -2.211 -9.073 1.00 0.00 H new ATOM 957 N ALA A 87 103.893 1.974 -7.747 1.00 0.00 N ATOM 958 CA ALA A 87 103.809 3.167 -6.850 1.00 0.00 C ATOM 959 C ALA A 87 102.460 3.884 -7.031 1.00 0.00 C ATOM 960 O ALA A 87 101.781 3.669 -8.015 1.00 0.00 O ATOM 961 CB ALA A 87 104.957 4.074 -7.290 1.00 0.00 C ATOM 0 H ALA A 87 104.248 2.162 -8.685 1.00 0.00 H new ATOM 0 HA ALA A 87 103.882 2.893 -5.797 1.00 0.00 H new ATOM 0 HB1 ALA A 87 104.964 4.975 -6.677 1.00 0.00 H new ATOM 0 HB2 ALA A 87 105.904 3.547 -7.170 1.00 0.00 H new ATOM 0 HB3 ALA A 87 104.824 4.348 -8.337 1.00 0.00 H new ATOM 967 N PRO A 88 102.111 4.718 -6.073 1.00 0.00 N ATOM 968 CA PRO A 88 100.827 5.461 -6.155 1.00 0.00 C ATOM 969 C PRO A 88 100.919 6.568 -7.219 1.00 0.00 C ATOM 970 O PRO A 88 101.985 7.103 -7.453 1.00 0.00 O ATOM 971 CB PRO A 88 100.665 6.062 -4.761 1.00 0.00 C ATOM 972 CG PRO A 88 102.054 6.159 -4.216 1.00 0.00 C ATOM 973 CD PRO A 88 102.855 5.048 -4.844 1.00 0.00 C ATOM 0 HA PRO A 88 99.985 4.830 -6.440 1.00 0.00 H new ATOM 0 HB2 PRO A 88 100.190 7.042 -4.807 1.00 0.00 H new ATOM 0 HB3 PRO A 88 100.037 5.432 -4.131 1.00 0.00 H new ATOM 0 HG2 PRO A 88 102.492 7.129 -4.449 1.00 0.00 H new ATOM 0 HG3 PRO A 88 102.049 6.064 -3.130 1.00 0.00 H new ATOM 0 HD2 PRO A 88 103.873 5.368 -5.068 1.00 0.00 H new ATOM 0 HD3 PRO A 88 102.930 4.187 -4.180 1.00 0.00 H new ATOM 981 N PRO A 89 99.800 6.883 -7.837 1.00 0.00 N ATOM 982 CA PRO A 89 99.791 7.940 -8.878 1.00 0.00 C ATOM 983 C PRO A 89 99.856 9.327 -8.232 1.00 0.00 C ATOM 984 O PRO A 89 99.549 9.492 -7.066 1.00 0.00 O ATOM 985 CB PRO A 89 98.457 7.736 -9.588 1.00 0.00 C ATOM 986 CG PRO A 89 97.574 7.062 -8.586 1.00 0.00 C ATOM 987 CD PRO A 89 98.460 6.303 -7.635 1.00 0.00 C ATOM 0 HA PRO A 89 100.642 7.879 -9.556 1.00 0.00 H new ATOM 0 HB2 PRO A 89 98.033 8.688 -9.909 1.00 0.00 H new ATOM 0 HB3 PRO A 89 98.577 7.123 -10.481 1.00 0.00 H new ATOM 0 HG2 PRO A 89 96.976 7.797 -8.048 1.00 0.00 H new ATOM 0 HG3 PRO A 89 96.878 6.386 -9.083 1.00 0.00 H new ATOM 0 HD2 PRO A 89 98.128 6.421 -6.603 1.00 0.00 H new ATOM 0 HD3 PRO A 89 98.453 5.235 -7.852 1.00 0.00 H new ATOM 995 N GLY A 90 100.253 10.322 -8.984 1.00 0.00 N ATOM 996 CA GLY A 90 100.340 11.703 -8.423 1.00 0.00 C ATOM 997 C GLY A 90 101.623 11.848 -7.601 1.00 0.00 C ATOM 998 O GLY A 90 101.683 12.619 -6.662 1.00 0.00 O ATOM 0 H GLY A 90 100.521 10.237 -9.964 1.00 0.00 H new ATOM 0 HA2 GLY A 90 100.330 12.435 -9.231 1.00 0.00 H new ATOM 0 HA3 GLY A 90 99.471 11.907 -7.797 1.00 0.00 H new ATOM 1002 N ALA A 91 102.648 11.111 -7.948 1.00 0.00 N ATOM 1003 CA ALA A 91 103.933 11.200 -7.191 1.00 0.00 C ATOM 1004 C ALA A 91 105.111 10.856 -8.105 1.00 0.00 C ATOM 1005 O ALA A 91 105.053 9.918 -8.878 1.00 0.00 O ATOM 1006 CB ALA A 91 103.805 10.169 -6.069 1.00 0.00 C ATOM 0 H ALA A 91 102.650 10.450 -8.725 1.00 0.00 H new ATOM 0 HA ALA A 91 104.115 12.203 -6.804 1.00 0.00 H new ATOM 0 HB1 ALA A 91 104.713 10.173 -5.466 1.00 0.00 H new ATOM 0 HB2 ALA A 91 102.950 10.419 -5.441 1.00 0.00 H new ATOM 0 HB3 ALA A 91 103.660 9.178 -6.500 1.00 0.00 H new ATOM 1012 N ARG A 92 106.178 11.608 -8.020 1.00 0.00 N ATOM 1013 CA ARG A 92 107.368 11.332 -8.879 1.00 0.00 C ATOM 1014 C ARG A 92 108.529 10.819 -8.025 1.00 0.00 C ATOM 1015 O ARG A 92 108.853 11.386 -6.998 1.00 0.00 O ATOM 1016 CB ARG A 92 107.722 12.680 -9.514 1.00 0.00 C ATOM 1017 CG ARG A 92 106.646 13.075 -10.539 1.00 0.00 C ATOM 1018 CD ARG A 92 107.280 13.242 -11.925 1.00 0.00 C ATOM 1019 NE ARG A 92 107.419 14.720 -12.120 1.00 0.00 N ATOM 1020 CZ ARG A 92 107.740 15.228 -13.292 1.00 0.00 C ATOM 1021 NH1 ARG A 92 107.757 14.489 -14.378 1.00 0.00 N ATOM 1022 NH2 ARG A 92 108.043 16.493 -13.377 1.00 0.00 N ATOM 0 H ARG A 92 106.276 12.404 -7.390 1.00 0.00 H new ATOM 0 HA ARG A 92 107.166 10.569 -9.631 1.00 0.00 H new ATOM 0 HB2 ARG A 92 107.800 13.446 -8.742 1.00 0.00 H new ATOM 0 HB3 ARG A 92 108.695 12.618 -10.001 1.00 0.00 H new ATOM 0 HG2 ARG A 92 105.868 12.312 -10.575 1.00 0.00 H new ATOM 0 HG3 ARG A 92 106.166 14.005 -10.235 1.00 0.00 H new ATOM 0 HD2 ARG A 92 108.249 12.746 -11.977 1.00 0.00 H new ATOM 0 HD3 ARG A 92 106.654 12.800 -12.700 1.00 0.00 H new ATOM 0 HE ARG A 92 107.262 15.346 -11.330 1.00 0.00 H new ATOM 0 HH11 ARG A 92 107.518 13.499 -14.325 1.00 0.00 H new ATOM 0 HH12 ARG A 92 108.009 14.905 -15.274 1.00 0.00 H new ATOM 0 HH21 ARG A 92 108.030 17.078 -12.541 1.00 0.00 H new ATOM 0 HH22 ARG A 92 108.293 16.898 -14.279 1.00 0.00 H new ATOM 1036 N SER A 93 109.154 9.748 -8.442 1.00 0.00 N ATOM 1037 CA SER A 93 110.297 9.187 -7.661 1.00 0.00 C ATOM 1038 C SER A 93 111.619 9.776 -8.157 1.00 0.00 C ATOM 1039 O SER A 93 111.655 10.521 -9.118 1.00 0.00 O ATOM 1040 CB SER A 93 110.252 7.683 -7.918 1.00 0.00 C ATOM 1041 OG SER A 93 108.938 7.203 -7.671 1.00 0.00 O ATOM 0 H SER A 93 108.921 9.236 -9.293 1.00 0.00 H new ATOM 0 HA SER A 93 110.224 9.422 -6.599 1.00 0.00 H new ATOM 0 HB2 SER A 93 110.542 7.470 -8.947 1.00 0.00 H new ATOM 0 HB3 SER A 93 110.966 7.171 -7.273 1.00 0.00 H new ATOM 0 HG SER A 93 108.906 6.238 -7.837 1.00 0.00 H new ATOM 1047 N LEU A 94 112.706 9.445 -7.506 1.00 0.00 N ATOM 1048 CA LEU A 94 114.033 9.980 -7.931 1.00 0.00 C ATOM 1049 C LEU A 94 114.648 9.078 -9.007 1.00 0.00 C ATOM 1050 O LEU A 94 114.157 8.000 -9.282 1.00 0.00 O ATOM 1051 CB LEU A 94 114.894 9.971 -6.663 1.00 0.00 C ATOM 1052 CG LEU A 94 115.027 11.396 -6.119 1.00 0.00 C ATOM 1053 CD1 LEU A 94 113.666 11.883 -5.616 1.00 0.00 C ATOM 1054 CD2 LEU A 94 116.032 11.407 -4.965 1.00 0.00 C ATOM 0 H LEU A 94 112.730 8.825 -6.696 1.00 0.00 H new ATOM 0 HA LEU A 94 113.956 10.979 -8.361 1.00 0.00 H new ATOM 0 HB2 LEU A 94 114.443 9.325 -5.910 1.00 0.00 H new ATOM 0 HB3 LEU A 94 115.880 9.562 -6.884 1.00 0.00 H new ATOM 0 HG LEU A 94 115.376 12.057 -6.913 1.00 0.00 H new ATOM 0 HD11 LEU A 94 113.763 12.897 -5.229 1.00 0.00 H new ATOM 0 HD12 LEU A 94 112.950 11.875 -6.438 1.00 0.00 H new ATOM 0 HD13 LEU A 94 113.314 11.224 -4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 94 116.128 12.421 -4.576 1.00 0.00 H new ATOM 0 HD22 LEU A 94 115.683 10.746 -4.172 1.00 0.00 H new ATOM 0 HD23 LEU A 94 117.002 11.062 -5.324 1.00 0.00 H new ATOM 1066 N THR A 95 115.718 9.520 -9.613 1.00 0.00 N ATOM 1067 CA THR A 95 116.382 8.705 -10.679 1.00 0.00 C ATOM 1068 C THR A 95 117.763 8.231 -10.197 1.00 0.00 C ATOM 1069 O THR A 95 118.219 8.650 -9.152 1.00 0.00 O ATOM 1070 CB THR A 95 116.526 9.647 -11.888 1.00 0.00 C ATOM 1071 OG1 THR A 95 116.568 11.002 -11.458 1.00 0.00 O ATOM 1072 CG2 THR A 95 115.340 9.447 -12.831 1.00 0.00 C ATOM 0 H THR A 95 116.165 10.415 -9.416 1.00 0.00 H new ATOM 0 HA THR A 95 115.806 7.814 -10.931 1.00 0.00 H new ATOM 0 HB THR A 95 117.455 9.415 -12.409 1.00 0.00 H new ATOM 0 HG1 THR A 95 117.384 11.155 -10.938 1.00 0.00 H new ATOM 0 HG21 THR A 95 115.440 10.113 -13.688 1.00 0.00 H new ATOM 0 HG22 THR A 95 115.320 8.413 -13.176 1.00 0.00 H new ATOM 0 HG23 THR A 95 114.413 9.672 -12.303 1.00 0.00 H new ATOM 1080 N PRO A 96 118.396 7.371 -10.970 1.00 0.00 N ATOM 1081 CA PRO A 96 119.738 6.868 -10.582 1.00 0.00 C ATOM 1082 C PRO A 96 120.776 7.990 -10.695 1.00 0.00 C ATOM 1083 O PRO A 96 120.586 8.951 -11.417 1.00 0.00 O ATOM 1084 CB PRO A 96 120.015 5.754 -11.590 1.00 0.00 C ATOM 1085 CG PRO A 96 119.171 6.092 -12.775 1.00 0.00 C ATOM 1086 CD PRO A 96 117.945 6.788 -12.248 1.00 0.00 C ATOM 0 HA PRO A 96 119.785 6.514 -9.552 1.00 0.00 H new ATOM 0 HB2 PRO A 96 121.071 5.715 -11.855 1.00 0.00 H new ATOM 0 HB3 PRO A 96 119.752 4.778 -11.183 1.00 0.00 H new ATOM 0 HG2 PRO A 96 119.715 6.736 -13.466 1.00 0.00 H new ATOM 0 HG3 PRO A 96 118.898 5.192 -13.326 1.00 0.00 H new ATOM 0 HD2 PRO A 96 117.594 7.556 -12.937 1.00 0.00 H new ATOM 0 HD3 PRO A 96 117.121 6.090 -12.101 1.00 0.00 H new ATOM 1094 N CYS A 97 121.867 7.877 -9.979 1.00 0.00 N ATOM 1095 CA CYS A 97 122.920 8.937 -10.031 1.00 0.00 C ATOM 1096 C CYS A 97 123.811 8.747 -11.260 1.00 0.00 C ATOM 1097 O CYS A 97 123.943 7.655 -11.779 1.00 0.00 O ATOM 1098 CB CYS A 97 123.733 8.751 -8.750 1.00 0.00 C ATOM 1099 SG CYS A 97 124.359 10.356 -8.192 1.00 0.00 S ATOM 0 H CYS A 97 122.074 7.094 -9.359 1.00 0.00 H new ATOM 0 HA CYS A 97 122.491 9.936 -10.104 1.00 0.00 H new ATOM 0 HB2 CYS A 97 123.112 8.302 -7.975 1.00 0.00 H new ATOM 0 HB3 CYS A 97 124.563 8.068 -8.930 1.00 0.00 H new ATOM 0 HG CYS A 97 124.733 10.268 -6.950 1.00 0.00 H new ATOM 1104 N THR A 98 124.420 9.807 -11.725 1.00 0.00 N ATOM 1105 CA THR A 98 125.307 9.706 -12.922 1.00 0.00 C ATOM 1106 C THR A 98 126.601 10.497 -12.694 1.00 0.00 C ATOM 1107 O THR A 98 126.937 11.383 -13.458 1.00 0.00 O ATOM 1108 CB THR A 98 124.495 10.310 -14.075 1.00 0.00 C ATOM 1109 OG1 THR A 98 125.273 10.281 -15.262 1.00 0.00 O ATOM 1110 CG2 THR A 98 124.111 11.759 -13.751 1.00 0.00 C ATOM 0 H THR A 98 124.341 10.742 -11.325 1.00 0.00 H new ATOM 0 HA THR A 98 125.601 8.678 -13.131 1.00 0.00 H new ATOM 0 HB THR A 98 123.585 9.726 -14.214 1.00 0.00 H new ATOM 0 HG1 THR A 98 126.159 10.660 -15.082 1.00 0.00 H new ATOM 0 HG21 THR A 98 123.535 12.176 -14.577 1.00 0.00 H new ATOM 0 HG22 THR A 98 123.510 11.782 -12.842 1.00 0.00 H new ATOM 0 HG23 THR A 98 125.015 12.351 -13.603 1.00 0.00 H new ATOM 1118 N CYS A 99 127.322 10.191 -11.644 1.00 0.00 N ATOM 1119 CA CYS A 99 128.593 10.938 -11.362 1.00 0.00 C ATOM 1120 C CYS A 99 129.682 10.036 -10.747 1.00 0.00 C ATOM 1121 O CYS A 99 130.818 10.453 -10.610 1.00 0.00 O ATOM 1122 CB CYS A 99 128.190 12.045 -10.377 1.00 0.00 C ATOM 1123 SG CYS A 99 127.499 11.323 -8.863 1.00 0.00 S ATOM 0 H CYS A 99 127.089 9.460 -10.971 1.00 0.00 H new ATOM 0 HA CYS A 99 129.028 11.328 -12.282 1.00 0.00 H new ATOM 0 HB2 CYS A 99 129.058 12.657 -10.132 1.00 0.00 H new ATOM 0 HB3 CYS A 99 127.456 12.704 -10.841 1.00 0.00 H new ATOM 0 HG CYS A 99 126.212 11.195 -8.992 1.00 0.00 H new ATOM 1128 N GLY A 100 129.366 8.812 -10.382 1.00 0.00 N ATOM 1129 CA GLY A 100 130.400 7.903 -9.789 1.00 0.00 C ATOM 1130 C GLY A 100 131.091 8.579 -8.597 1.00 0.00 C ATOM 1131 O GLY A 100 132.242 8.312 -8.308 1.00 0.00 O ATOM 0 H GLY A 100 128.435 8.405 -10.470 1.00 0.00 H new ATOM 0 HA2 GLY A 100 129.933 6.973 -9.466 1.00 0.00 H new ATOM 0 HA3 GLY A 100 131.140 7.642 -10.546 1.00 0.00 H new ATOM 1135 N SER A 101 130.398 9.452 -7.912 1.00 0.00 N ATOM 1136 CA SER A 101 131.015 10.149 -6.740 1.00 0.00 C ATOM 1137 C SER A 101 131.206 9.169 -5.578 1.00 0.00 C ATOM 1138 O SER A 101 130.462 8.220 -5.427 1.00 0.00 O ATOM 1139 CB SER A 101 130.024 11.249 -6.357 1.00 0.00 C ATOM 1140 OG SER A 101 128.888 10.662 -5.738 1.00 0.00 O ATOM 0 H SER A 101 129.433 9.713 -8.112 1.00 0.00 H new ATOM 0 HA SER A 101 131.998 10.555 -6.977 1.00 0.00 H new ATOM 0 HB2 SER A 101 130.496 11.959 -5.678 1.00 0.00 H new ATOM 0 HB3 SER A 101 129.722 11.807 -7.243 1.00 0.00 H new ATOM 0 HG SER A 101 128.783 11.026 -4.834 1.00 0.00 H new ATOM 1146 N SER A 102 132.204 9.397 -4.760 1.00 0.00 N ATOM 1147 CA SER A 102 132.456 8.486 -3.603 1.00 0.00 C ATOM 1148 C SER A 102 131.620 8.913 -2.393 1.00 0.00 C ATOM 1149 O SER A 102 131.290 8.107 -1.544 1.00 0.00 O ATOM 1150 CB SER A 102 133.947 8.634 -3.301 1.00 0.00 C ATOM 1151 OG SER A 102 134.700 8.064 -4.363 1.00 0.00 O ATOM 0 H SER A 102 132.856 10.177 -4.845 1.00 0.00 H new ATOM 0 HA SER A 102 132.183 7.455 -3.826 1.00 0.00 H new ATOM 0 HB2 SER A 102 134.203 9.687 -3.183 1.00 0.00 H new ATOM 0 HB3 SER A 102 134.190 8.139 -2.361 1.00 0.00 H new ATOM 0 HG SER A 102 135.657 8.159 -4.173 1.00 0.00 H new ATOM 1157 N ASP A 103 131.279 10.176 -2.309 1.00 0.00 N ATOM 1158 CA ASP A 103 130.465 10.661 -1.152 1.00 0.00 C ATOM 1159 C ASP A 103 129.027 10.152 -1.270 1.00 0.00 C ATOM 1160 O ASP A 103 128.338 10.430 -2.233 1.00 0.00 O ATOM 1161 CB ASP A 103 130.504 12.189 -1.246 1.00 0.00 C ATOM 1162 CG ASP A 103 131.910 12.690 -0.907 1.00 0.00 C ATOM 1163 OD1 ASP A 103 132.560 12.064 -0.084 1.00 0.00 O ATOM 1164 OD2 ASP A 103 132.314 13.691 -1.477 1.00 0.00 O ATOM 0 H ASP A 103 131.529 10.891 -2.992 1.00 0.00 H new ATOM 0 HA ASP A 103 130.852 10.304 -0.198 1.00 0.00 H new ATOM 0 HB2 ASP A 103 130.226 12.509 -2.250 1.00 0.00 H new ATOM 0 HB3 ASP A 103 129.777 12.624 -0.560 1.00 0.00 H new ATOM 1169 N LEU A 104 128.572 9.406 -0.294 1.00 0.00 N ATOM 1170 CA LEU A 104 127.179 8.872 -0.341 1.00 0.00 C ATOM 1171 C LEU A 104 126.510 9.008 1.030 1.00 0.00 C ATOM 1172 O LEU A 104 127.161 8.955 2.056 1.00 0.00 O ATOM 1173 CB LEU A 104 127.333 7.397 -0.712 1.00 0.00 C ATOM 1174 CG LEU A 104 127.829 7.281 -2.154 1.00 0.00 C ATOM 1175 CD1 LEU A 104 128.166 5.820 -2.461 1.00 0.00 C ATOM 1176 CD2 LEU A 104 126.734 7.763 -3.108 1.00 0.00 C ATOM 0 H LEU A 104 129.107 9.144 0.534 1.00 0.00 H new ATOM 0 HA LEU A 104 126.556 9.412 -1.054 1.00 0.00 H new ATOM 0 HB2 LEU A 104 128.036 6.912 -0.035 1.00 0.00 H new ATOM 0 HB3 LEU A 104 126.379 6.882 -0.602 1.00 0.00 H new ATOM 0 HG LEU A 104 128.721 7.894 -2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 104 128.520 5.736 -3.489 1.00 0.00 H new ATOM 0 HD12 LEU A 104 128.944 5.475 -1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 104 127.274 5.206 -2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 104 127.086 7.681 -4.136 1.00 0.00 H new ATOM 0 HD22 LEU A 104 125.843 7.149 -2.979 1.00 0.00 H new ATOM 0 HD23 LEU A 104 126.492 8.803 -2.889 1.00 0.00 H new ATOM 1188 N TYR A 105 125.212 9.177 1.050 1.00 0.00 N ATOM 1189 CA TYR A 105 124.488 9.309 2.349 1.00 0.00 C ATOM 1190 C TYR A 105 123.444 8.197 2.477 1.00 0.00 C ATOM 1191 O TYR A 105 122.646 7.979 1.585 1.00 0.00 O ATOM 1192 CB TYR A 105 123.816 10.682 2.294 1.00 0.00 C ATOM 1193 CG TYR A 105 124.863 11.760 2.441 1.00 0.00 C ATOM 1194 CD1 TYR A 105 125.178 12.263 3.710 1.00 0.00 C ATOM 1195 CD2 TYR A 105 125.522 12.256 1.310 1.00 0.00 C ATOM 1196 CE1 TYR A 105 126.150 13.261 3.846 1.00 0.00 C ATOM 1197 CE2 TYR A 105 126.494 13.255 1.446 1.00 0.00 C ATOM 1198 CZ TYR A 105 126.808 13.758 2.715 1.00 0.00 C ATOM 1199 OH TYR A 105 127.766 14.742 2.849 1.00 0.00 O ATOM 0 H TYR A 105 124.622 9.229 0.220 1.00 0.00 H new ATOM 0 HA TYR A 105 125.153 9.223 3.208 1.00 0.00 H new ATOM 0 HB2 TYR A 105 123.285 10.802 1.349 1.00 0.00 H new ATOM 0 HB3 TYR A 105 123.075 10.769 3.089 1.00 0.00 H new ATOM 0 HD1 TYR A 105 124.671 11.881 4.583 1.00 0.00 H new ATOM 0 HD2 TYR A 105 125.281 11.868 0.331 1.00 0.00 H new ATOM 0 HE1 TYR A 105 126.393 13.648 4.825 1.00 0.00 H new ATOM 0 HE2 TYR A 105 127.001 13.637 0.573 1.00 0.00 H new ATOM 0 HH TYR A 105 128.124 14.972 1.966 1.00 0.00 H new ATOM 1209 N LEU A 106 123.448 7.492 3.580 1.00 0.00 N ATOM 1210 CA LEU A 106 122.463 6.385 3.773 1.00 0.00 C ATOM 1211 C LEU A 106 121.409 6.787 4.809 1.00 0.00 C ATOM 1212 O LEU A 106 121.696 7.495 5.755 1.00 0.00 O ATOM 1213 CB LEU A 106 123.295 5.203 4.279 1.00 0.00 C ATOM 1214 CG LEU A 106 122.388 3.988 4.496 1.00 0.00 C ATOM 1215 CD1 LEU A 106 121.879 3.479 3.145 1.00 0.00 C ATOM 1216 CD2 LEU A 106 123.182 2.879 5.190 1.00 0.00 C ATOM 0 H LEU A 106 124.093 7.636 4.357 1.00 0.00 H new ATOM 0 HA LEU A 106 121.926 6.143 2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 106 124.077 4.961 3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 106 123.792 5.469 5.212 1.00 0.00 H new ATOM 0 HG LEU A 106 121.540 4.275 5.118 1.00 0.00 H new ATOM 0 HD11 LEU A 106 121.234 2.614 3.302 1.00 0.00 H new ATOM 0 HD12 LEU A 106 121.314 4.268 2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 106 122.726 3.192 2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 106 122.538 2.013 5.345 1.00 0.00 H new ATOM 0 HD22 LEU A 106 124.030 2.594 4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 106 123.545 3.239 6.153 1.00 0.00 H new ATOM 1228 N VAL A 107 120.194 6.334 4.634 1.00 0.00 N ATOM 1229 CA VAL A 107 119.113 6.679 5.605 1.00 0.00 C ATOM 1230 C VAL A 107 118.766 5.451 6.454 1.00 0.00 C ATOM 1231 O VAL A 107 118.405 4.411 5.934 1.00 0.00 O ATOM 1232 CB VAL A 107 117.917 7.099 4.742 1.00 0.00 C ATOM 1233 CG1 VAL A 107 116.741 7.486 5.644 1.00 0.00 C ATOM 1234 CG2 VAL A 107 118.304 8.301 3.876 1.00 0.00 C ATOM 0 H VAL A 107 119.904 5.739 3.858 1.00 0.00 H new ATOM 0 HA VAL A 107 119.408 7.471 6.293 1.00 0.00 H new ATOM 0 HB VAL A 107 117.628 6.265 4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 107 115.893 7.784 5.028 1.00 0.00 H new ATOM 0 HG12 VAL A 107 116.459 6.633 6.261 1.00 0.00 H new ATOM 0 HG13 VAL A 107 117.033 8.317 6.286 1.00 0.00 H new ATOM 0 HG21 VAL A 107 117.452 8.598 3.264 1.00 0.00 H new ATOM 0 HG22 VAL A 107 118.597 9.132 4.517 1.00 0.00 H new ATOM 0 HG23 VAL A 107 119.139 8.030 3.230 1.00 0.00 H new ATOM 1244 N THR A 108 118.878 5.565 7.753 1.00 0.00 N ATOM 1245 CA THR A 108 118.562 4.407 8.642 1.00 0.00 C ATOM 1246 C THR A 108 117.093 4.450 9.073 1.00 0.00 C ATOM 1247 O THR A 108 116.359 5.352 8.720 1.00 0.00 O ATOM 1248 CB THR A 108 119.481 4.571 9.854 1.00 0.00 C ATOM 1249 OG1 THR A 108 119.475 5.930 10.268 1.00 0.00 O ATOM 1250 CG2 THR A 108 120.904 4.154 9.479 1.00 0.00 C ATOM 0 H THR A 108 119.175 6.412 8.237 1.00 0.00 H new ATOM 0 HA THR A 108 118.716 3.452 8.140 1.00 0.00 H new ATOM 0 HB THR A 108 119.125 3.941 10.669 1.00 0.00 H new ATOM 0 HG1 THR A 108 120.372 6.184 10.570 1.00 0.00 H new ATOM 0 HG21 THR A 108 121.557 4.271 10.344 1.00 0.00 H new ATOM 0 HG22 THR A 108 120.906 3.111 9.162 1.00 0.00 H new ATOM 0 HG23 THR A 108 121.264 4.782 8.664 1.00 0.00 H new ATOM 1258 N ARG A 109 116.665 3.475 9.835 1.00 0.00 N ATOM 1259 CA ARG A 109 115.241 3.442 10.296 1.00 0.00 C ATOM 1260 C ARG A 109 114.966 4.551 11.323 1.00 0.00 C ATOM 1261 O ARG A 109 113.824 4.866 11.606 1.00 0.00 O ATOM 1262 CB ARG A 109 115.052 2.059 10.934 1.00 0.00 C ATOM 1263 CG ARG A 109 116.050 1.867 12.082 1.00 0.00 C ATOM 1264 CD ARG A 109 115.474 0.877 13.098 1.00 0.00 C ATOM 1265 NE ARG A 109 116.664 0.199 13.697 1.00 0.00 N ATOM 1266 CZ ARG A 109 117.365 0.766 14.659 1.00 0.00 C ATOM 1267 NH1 ARG A 109 117.174 2.021 14.997 1.00 0.00 N ATOM 1268 NH2 ARG A 109 118.268 0.065 15.288 1.00 0.00 N ATOM 0 H ARG A 109 117.241 2.698 10.159 1.00 0.00 H new ATOM 0 HA ARG A 109 114.550 3.609 9.470 1.00 0.00 H new ATOM 0 HB2 ARG A 109 114.033 1.958 11.307 1.00 0.00 H new ATOM 0 HB3 ARG A 109 115.195 1.281 10.184 1.00 0.00 H new ATOM 0 HG2 ARG A 109 116.999 1.496 11.695 1.00 0.00 H new ATOM 0 HG3 ARG A 109 116.254 2.823 12.565 1.00 0.00 H new ATOM 0 HD2 ARG A 109 114.887 1.390 13.860 1.00 0.00 H new ATOM 0 HD3 ARG A 109 114.811 0.158 12.616 1.00 0.00 H new ATOM 0 HE ARG A 109 116.939 -0.721 13.354 1.00 0.00 H new ATOM 0 HH11 ARG A 109 116.471 2.579 14.512 1.00 0.00 H new ATOM 0 HH12 ARG A 109 117.729 2.438 15.745 1.00 0.00 H new ATOM 0 HH21 ARG A 109 118.425 -0.910 15.034 1.00 0.00 H new ATOM 0 HH22 ARG A 109 118.817 0.492 16.034 1.00 0.00 H new ATOM 1282 N HIS A 110 115.993 5.140 11.890 1.00 0.00 N ATOM 1283 CA HIS A 110 115.779 6.220 12.901 1.00 0.00 C ATOM 1284 C HIS A 110 115.821 7.602 12.239 1.00 0.00 C ATOM 1285 O HIS A 110 116.133 8.591 12.872 1.00 0.00 O ATOM 1286 CB HIS A 110 116.934 6.068 13.892 1.00 0.00 C ATOM 1287 CG HIS A 110 116.540 6.667 15.215 1.00 0.00 C ATOM 1288 ND1 HIS A 110 115.655 6.038 16.076 1.00 0.00 N ATOM 1289 CD2 HIS A 110 116.903 7.836 15.838 1.00 0.00 C ATOM 1290 CE1 HIS A 110 115.515 6.826 17.160 1.00 0.00 C ATOM 1291 NE2 HIS A 110 116.255 7.935 17.065 1.00 0.00 N ATOM 0 H HIS A 110 116.969 4.918 11.695 1.00 0.00 H new ATOM 0 HA HIS A 110 114.806 6.136 13.385 1.00 0.00 H new ATOM 0 HB2 HIS A 110 117.184 5.014 14.017 1.00 0.00 H new ATOM 0 HB3 HIS A 110 117.825 6.563 13.507 1.00 0.00 H new ATOM 0 HD2 HIS A 110 117.588 8.568 15.436 1.00 0.00 H new ATOM 0 HE1 HIS A 110 114.882 6.590 18.003 1.00 0.00 H new ATOM 0 HE2 HIS A 110 116.329 8.691 17.746 1.00 0.00 H new ATOM 1299 N ALA A 111 115.505 7.678 10.966 1.00 0.00 N ATOM 1300 CA ALA A 111 115.518 8.995 10.247 1.00 0.00 C ATOM 1301 C ALA A 111 116.868 9.702 10.425 1.00 0.00 C ATOM 1302 O ALA A 111 116.957 10.913 10.340 1.00 0.00 O ATOM 1303 CB ALA A 111 114.394 9.819 10.883 1.00 0.00 C ATOM 0 H ALA A 111 115.237 6.879 10.391 1.00 0.00 H new ATOM 0 HA ALA A 111 115.372 8.867 9.174 1.00 0.00 H new ATOM 0 HB1 ALA A 111 114.345 10.797 10.405 1.00 0.00 H new ATOM 0 HB2 ALA A 111 113.444 9.302 10.750 1.00 0.00 H new ATOM 0 HB3 ALA A 111 114.592 9.945 11.947 1.00 0.00 H new ATOM 1309 N ASP A 112 117.914 8.954 10.667 1.00 0.00 N ATOM 1310 CA ASP A 112 119.261 9.577 10.846 1.00 0.00 C ATOM 1311 C ASP A 112 120.036 9.538 9.528 1.00 0.00 C ATOM 1312 O ASP A 112 119.784 8.707 8.675 1.00 0.00 O ATOM 1313 CB ASP A 112 119.955 8.722 11.907 1.00 0.00 C ATOM 1314 CG ASP A 112 119.683 9.305 13.295 1.00 0.00 C ATOM 1315 OD1 ASP A 112 118.602 9.838 13.493 1.00 0.00 O ATOM 1316 OD2 ASP A 112 120.559 9.212 14.138 1.00 0.00 O ATOM 0 H ASP A 112 117.894 7.937 10.749 1.00 0.00 H new ATOM 0 HA ASP A 112 119.199 10.623 11.146 1.00 0.00 H new ATOM 0 HB2 ASP A 112 119.592 7.695 11.855 1.00 0.00 H new ATOM 0 HB3 ASP A 112 121.028 8.691 11.719 1.00 0.00 H new ATOM 1321 N VAL A 113 120.976 10.433 9.355 1.00 0.00 N ATOM 1322 CA VAL A 113 121.771 10.457 8.091 1.00 0.00 C ATOM 1323 C VAL A 113 123.251 10.200 8.396 1.00 0.00 C ATOM 1324 O VAL A 113 123.853 10.880 9.206 1.00 0.00 O ATOM 1325 CB VAL A 113 121.571 11.866 7.520 1.00 0.00 C ATOM 1326 CG1 VAL A 113 122.346 12.009 6.207 1.00 0.00 C ATOM 1327 CG2 VAL A 113 120.082 12.106 7.254 1.00 0.00 C ATOM 0 H VAL A 113 121.227 11.149 10.037 1.00 0.00 H new ATOM 0 HA VAL A 113 121.454 9.688 7.387 1.00 0.00 H new ATOM 0 HB VAL A 113 121.938 12.597 8.240 1.00 0.00 H new ATOM 0 HG11 VAL A 113 122.200 13.012 5.806 1.00 0.00 H new ATOM 0 HG12 VAL A 113 123.407 11.842 6.391 1.00 0.00 H new ATOM 0 HG13 VAL A 113 121.983 11.274 5.488 1.00 0.00 H new ATOM 0 HG21 VAL A 113 119.942 13.108 6.848 1.00 0.00 H new ATOM 0 HG22 VAL A 113 119.717 11.370 6.538 1.00 0.00 H new ATOM 0 HG23 VAL A 113 119.526 12.011 8.187 1.00 0.00 H new ATOM 1337 N ILE A 114 123.837 9.226 7.748 1.00 0.00 N ATOM 1338 CA ILE A 114 125.280 8.917 7.990 1.00 0.00 C ATOM 1339 C ILE A 114 126.051 8.911 6.656 1.00 0.00 C ATOM 1340 O ILE A 114 125.529 8.464 5.654 1.00 0.00 O ATOM 1341 CB ILE A 114 125.292 7.524 8.634 1.00 0.00 C ATOM 1342 CG1 ILE A 114 124.620 6.510 7.700 1.00 0.00 C ATOM 1343 CG2 ILE A 114 124.532 7.572 9.961 1.00 0.00 C ATOM 1344 CD1 ILE A 114 124.766 5.103 8.282 1.00 0.00 C ATOM 0 H ILE A 114 123.378 8.629 7.060 1.00 0.00 H new ATOM 0 HA ILE A 114 125.760 9.658 8.629 1.00 0.00 H new ATOM 0 HB ILE A 114 126.324 7.220 8.811 1.00 0.00 H new ATOM 0 HG12 ILE A 114 123.565 6.756 7.577 1.00 0.00 H new ATOM 0 HG13 ILE A 114 125.075 6.554 6.710 1.00 0.00 H new ATOM 0 HG21 ILE A 114 124.539 6.584 10.420 1.00 0.00 H new ATOM 0 HG22 ILE A 114 125.012 8.286 10.630 1.00 0.00 H new ATOM 0 HG23 ILE A 114 123.502 7.880 9.780 1.00 0.00 H new ATOM 0 HD11 ILE A 114 124.288 4.383 7.618 1.00 0.00 H new ATOM 0 HD12 ILE A 114 125.824 4.858 8.382 1.00 0.00 H new ATOM 0 HD13 ILE A 114 124.291 5.063 9.262 1.00 0.00 H new ATOM 1356 N PRO A 115 127.271 9.411 6.675 1.00 0.00 N ATOM 1357 CA PRO A 115 128.081 9.448 5.434 1.00 0.00 C ATOM 1358 C PRO A 115 128.633 8.056 5.108 1.00 0.00 C ATOM 1359 O PRO A 115 128.830 7.236 5.985 1.00 0.00 O ATOM 1360 CB PRO A 115 129.214 10.412 5.768 1.00 0.00 C ATOM 1361 CG PRO A 115 129.345 10.368 7.258 1.00 0.00 C ATOM 1362 CD PRO A 115 128.000 9.981 7.822 1.00 0.00 C ATOM 0 HA PRO A 115 127.505 9.759 4.562 1.00 0.00 H new ATOM 0 HB2 PRO A 115 130.142 10.111 5.283 1.00 0.00 H new ATOM 0 HB3 PRO A 115 128.987 11.421 5.423 1.00 0.00 H new ATOM 0 HG2 PRO A 115 130.107 9.647 7.554 1.00 0.00 H new ATOM 0 HG3 PRO A 115 129.657 11.338 7.644 1.00 0.00 H new ATOM 0 HD2 PRO A 115 128.102 9.255 8.629 1.00 0.00 H new ATOM 0 HD3 PRO A 115 127.479 10.845 8.234 1.00 0.00 H new ATOM 1370 N VAL A 116 128.884 7.791 3.851 1.00 0.00 N ATOM 1371 CA VAL A 116 129.426 6.458 3.451 1.00 0.00 C ATOM 1372 C VAL A 116 130.488 6.637 2.359 1.00 0.00 C ATOM 1373 O VAL A 116 130.335 7.446 1.463 1.00 0.00 O ATOM 1374 CB VAL A 116 128.221 5.679 2.912 1.00 0.00 C ATOM 1375 CG1 VAL A 116 128.665 4.282 2.467 1.00 0.00 C ATOM 1376 CG2 VAL A 116 127.164 5.545 4.013 1.00 0.00 C ATOM 0 H VAL A 116 128.736 8.444 3.082 1.00 0.00 H new ATOM 0 HA VAL A 116 129.902 5.936 4.281 1.00 0.00 H new ATOM 0 HB VAL A 116 127.800 6.215 2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 116 127.805 3.732 2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 116 129.417 4.372 1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 116 129.089 3.747 3.317 1.00 0.00 H new ATOM 0 HG21 VAL A 116 126.307 4.991 3.629 1.00 0.00 H new ATOM 0 HG22 VAL A 116 127.590 5.012 4.863 1.00 0.00 H new ATOM 0 HG23 VAL A 116 126.842 6.537 4.331 1.00 0.00 H new ATOM 1386 N ARG A 117 131.560 5.889 2.432 1.00 0.00 N ATOM 1387 CA ARG A 117 132.635 6.012 1.402 1.00 0.00 C ATOM 1388 C ARG A 117 132.587 4.818 0.444 1.00 0.00 C ATOM 1389 O ARG A 117 132.455 3.683 0.858 1.00 0.00 O ATOM 1390 CB ARG A 117 133.943 6.014 2.194 1.00 0.00 C ATOM 1391 CG ARG A 117 135.103 6.384 1.266 1.00 0.00 C ATOM 1392 CD ARG A 117 135.158 7.904 1.097 1.00 0.00 C ATOM 1393 NE ARG A 117 136.119 8.377 2.142 1.00 0.00 N ATOM 1394 CZ ARG A 117 136.727 9.541 2.037 1.00 0.00 C ATOM 1395 NH1 ARG A 117 136.373 10.419 1.127 1.00 0.00 N ATOM 1396 NH2 ARG A 117 137.698 9.830 2.859 1.00 0.00 N ATOM 0 H ARG A 117 131.737 5.198 3.161 1.00 0.00 H new ATOM 0 HA ARG A 117 132.526 6.910 0.795 1.00 0.00 H new ATOM 0 HB2 ARG A 117 133.881 6.726 3.017 1.00 0.00 H new ATOM 0 HB3 ARG A 117 134.115 5.032 2.634 1.00 0.00 H new ATOM 0 HG2 ARG A 117 136.043 6.019 1.679 1.00 0.00 H new ATOM 0 HG3 ARG A 117 134.974 5.904 0.296 1.00 0.00 H new ATOM 0 HD2 ARG A 117 135.496 8.178 0.098 1.00 0.00 H new ATOM 0 HD3 ARG A 117 134.174 8.352 1.234 1.00 0.00 H new ATOM 0 HE ARG A 117 136.307 7.786 2.952 1.00 0.00 H new ATOM 0 HH11 ARG A 117 135.612 10.206 0.482 1.00 0.00 H new ATOM 0 HH12 ARG A 117 136.859 11.314 1.065 1.00 0.00 H new ATOM 0 HH21 ARG A 117 137.979 9.158 3.573 1.00 0.00 H new ATOM 0 HH22 ARG A 117 138.176 10.728 2.788 1.00 0.00 H new ATOM 1410 N ARG A 118 132.693 5.073 -0.836 1.00 0.00 N ATOM 1411 CA ARG A 118 132.652 3.960 -1.835 1.00 0.00 C ATOM 1412 C ARG A 118 133.961 3.162 -1.795 1.00 0.00 C ATOM 1413 O ARG A 118 135.035 3.721 -1.680 1.00 0.00 O ATOM 1414 CB ARG A 118 132.480 4.650 -3.192 1.00 0.00 C ATOM 1415 CG ARG A 118 132.395 3.600 -4.303 1.00 0.00 C ATOM 1416 CD ARG A 118 131.742 4.221 -5.539 1.00 0.00 C ATOM 1417 NE ARG A 118 132.408 3.560 -6.704 1.00 0.00 N ATOM 1418 CZ ARG A 118 133.534 4.027 -7.205 1.00 0.00 C ATOM 1419 NH1 ARG A 118 134.223 4.961 -6.590 1.00 0.00 N ATOM 1420 NH2 ARG A 118 133.975 3.549 -8.336 1.00 0.00 N ATOM 0 H ARG A 118 132.806 6.005 -1.233 1.00 0.00 H new ATOM 0 HA ARG A 118 131.846 3.254 -1.634 1.00 0.00 H new ATOM 0 HB2 ARG A 118 131.577 5.261 -3.187 1.00 0.00 H new ATOM 0 HB3 ARG A 118 133.318 5.321 -3.377 1.00 0.00 H new ATOM 0 HG2 ARG A 118 133.392 3.234 -4.550 1.00 0.00 H new ATOM 0 HG3 ARG A 118 131.815 2.742 -3.964 1.00 0.00 H new ATOM 0 HD2 ARG A 118 130.666 4.045 -5.547 1.00 0.00 H new ATOM 0 HD3 ARG A 118 131.888 5.301 -5.562 1.00 0.00 H new ATOM 0 HE ARG A 118 131.982 2.731 -7.119 1.00 0.00 H new ATOM 0 HH11 ARG A 118 133.889 5.341 -5.704 1.00 0.00 H new ATOM 0 HH12 ARG A 118 135.092 5.306 -6.998 1.00 0.00 H new ATOM 0 HH21 ARG A 118 133.450 2.822 -8.822 1.00 0.00 H new ATOM 0 HH22 ARG A 118 134.845 3.902 -8.734 1.00 0.00 H new ATOM 1434 N ARG A 119 133.873 1.859 -1.890 1.00 0.00 N ATOM 1435 CA ARG A 119 135.105 1.013 -1.860 1.00 0.00 C ATOM 1436 C ARG A 119 135.018 -0.096 -2.916 1.00 0.00 C ATOM 1437 O ARG A 119 135.685 -1.109 -2.816 1.00 0.00 O ATOM 1438 CB ARG A 119 135.135 0.412 -0.451 1.00 0.00 C ATOM 1439 CG ARG A 119 136.458 -0.334 -0.227 1.00 0.00 C ATOM 1440 CD ARG A 119 136.209 -1.846 -0.233 1.00 0.00 C ATOM 1441 NE ARG A 119 137.432 -2.437 -0.859 1.00 0.00 N ATOM 1442 CZ ARG A 119 137.382 -3.577 -1.518 1.00 0.00 C ATOM 1443 NH1 ARG A 119 136.313 -4.340 -1.488 1.00 0.00 N ATOM 1444 NH2 ARG A 119 138.418 -3.958 -2.214 1.00 0.00 N ATOM 0 H ARG A 119 132.998 1.343 -1.987 1.00 0.00 H new ATOM 0 HA ARG A 119 136.005 1.587 -2.081 1.00 0.00 H new ATOM 0 HB2 ARG A 119 135.022 1.201 0.292 1.00 0.00 H new ATOM 0 HB3 ARG A 119 134.296 -0.271 -0.320 1.00 0.00 H new ATOM 0 HG2 ARG A 119 137.171 -0.071 -1.008 1.00 0.00 H new ATOM 0 HG3 ARG A 119 136.900 -0.033 0.723 1.00 0.00 H new ATOM 0 HD2 ARG A 119 136.060 -2.226 0.778 1.00 0.00 H new ATOM 0 HD3 ARG A 119 135.314 -2.096 -0.802 1.00 0.00 H new ATOM 0 HE ARG A 119 138.323 -1.948 -0.774 1.00 0.00 H new ATOM 0 HH11 ARG A 119 135.497 -4.054 -0.946 1.00 0.00 H new ATOM 0 HH12 ARG A 119 136.299 -5.218 -2.007 1.00 0.00 H new ATOM 0 HH21 ARG A 119 139.255 -3.375 -2.244 1.00 0.00 H new ATOM 0 HH22 ARG A 119 138.391 -4.838 -2.728 1.00 0.00 H new ATOM 1458 N GLY A 120 134.203 0.085 -3.927 1.00 0.00 N ATOM 1459 CA GLY A 120 134.075 -0.958 -4.987 1.00 0.00 C ATOM 1460 C GLY A 120 132.845 -0.665 -5.847 1.00 0.00 C ATOM 1461 O GLY A 120 132.233 0.381 -5.734 1.00 0.00 O ATOM 0 H GLY A 120 133.621 0.912 -4.062 1.00 0.00 H new ATOM 0 HA2 GLY A 120 134.971 -0.972 -5.608 1.00 0.00 H new ATOM 0 HA3 GLY A 120 133.987 -1.945 -4.532 1.00 0.00 H new ATOM 1465 N ASP A 121 132.481 -1.583 -6.706 1.00 0.00 N ATOM 1466 CA ASP A 121 131.288 -1.368 -7.581 1.00 0.00 C ATOM 1467 C ASP A 121 130.001 -1.441 -6.752 1.00 0.00 C ATOM 1468 O ASP A 121 129.075 -0.681 -6.962 1.00 0.00 O ATOM 1469 CB ASP A 121 131.330 -2.502 -8.607 1.00 0.00 C ATOM 1470 CG ASP A 121 130.360 -2.195 -9.749 1.00 0.00 C ATOM 1471 OD1 ASP A 121 129.729 -3.123 -10.230 1.00 0.00 O ATOM 1472 OD2 ASP A 121 130.264 -1.038 -10.124 1.00 0.00 O ATOM 0 H ASP A 121 132.959 -2.474 -6.840 1.00 0.00 H new ATOM 0 HA ASP A 121 131.303 -0.389 -8.059 1.00 0.00 H new ATOM 0 HB2 ASP A 121 132.342 -2.617 -8.996 1.00 0.00 H new ATOM 0 HB3 ASP A 121 131.062 -3.446 -8.132 1.00 0.00 H new ATOM 1477 N SER A 122 129.939 -2.353 -5.815 1.00 0.00 N ATOM 1478 CA SER A 122 128.714 -2.486 -4.969 1.00 0.00 C ATOM 1479 C SER A 122 129.090 -2.628 -3.489 1.00 0.00 C ATOM 1480 O SER A 122 128.340 -3.180 -2.704 1.00 0.00 O ATOM 1481 CB SER A 122 128.029 -3.755 -5.471 1.00 0.00 C ATOM 1482 OG SER A 122 128.995 -4.789 -5.603 1.00 0.00 O ATOM 0 H SER A 122 130.686 -3.013 -5.599 1.00 0.00 H new ATOM 0 HA SER A 122 128.068 -1.611 -5.043 1.00 0.00 H new ATOM 0 HB2 SER A 122 127.247 -4.059 -4.776 1.00 0.00 H new ATOM 0 HB3 SER A 122 127.547 -3.567 -6.431 1.00 0.00 H new ATOM 0 HG SER A 122 128.558 -5.606 -5.923 1.00 0.00 H new ATOM 1488 N ARG A 123 130.241 -2.136 -3.105 1.00 0.00 N ATOM 1489 CA ARG A 123 130.665 -2.241 -1.676 1.00 0.00 C ATOM 1490 C ARG A 123 131.383 -0.961 -1.239 1.00 0.00 C ATOM 1491 O ARG A 123 132.153 -0.386 -1.985 1.00 0.00 O ATOM 1492 CB ARG A 123 131.621 -3.435 -1.632 1.00 0.00 C ATOM 1493 CG ARG A 123 131.462 -4.174 -0.297 1.00 0.00 C ATOM 1494 CD ARG A 123 132.842 -4.533 0.260 1.00 0.00 C ATOM 1495 NE ARG A 123 132.573 -5.242 1.552 1.00 0.00 N ATOM 1496 CZ ARG A 123 133.530 -5.882 2.193 1.00 0.00 C ATOM 1497 NH1 ARG A 123 134.702 -6.096 1.639 1.00 0.00 N ATOM 1498 NH2 ARG A 123 133.309 -6.316 3.402 1.00 0.00 N ATOM 0 H ARG A 123 130.905 -1.666 -3.720 1.00 0.00 H new ATOM 0 HA ARG A 123 129.817 -2.373 -1.004 1.00 0.00 H new ATOM 0 HB2 ARG A 123 131.412 -4.112 -2.461 1.00 0.00 H new ATOM 0 HB3 ARG A 123 132.650 -3.094 -1.750 1.00 0.00 H new ATOM 0 HG2 ARG A 123 130.923 -3.548 0.414 1.00 0.00 H new ATOM 0 HG3 ARG A 123 130.870 -5.078 -0.439 1.00 0.00 H new ATOM 0 HD2 ARG A 123 133.392 -5.171 -0.432 1.00 0.00 H new ATOM 0 HD3 ARG A 123 133.447 -3.640 0.419 1.00 0.00 H new ATOM 0 HE ARG A 123 131.631 -5.229 1.943 1.00 0.00 H new ATOM 0 HH11 ARG A 123 134.887 -5.764 0.692 1.00 0.00 H new ATOM 0 HH12 ARG A 123 135.427 -6.594 2.156 1.00 0.00 H new ATOM 0 HH21 ARG A 123 132.403 -6.159 3.842 1.00 0.00 H new ATOM 0 HH22 ARG A 123 134.043 -6.813 3.908 1.00 0.00 H new ATOM 1512 N GLY A 124 131.133 -0.514 -0.035 1.00 0.00 N ATOM 1513 CA GLY A 124 131.794 0.729 0.463 1.00 0.00 C ATOM 1514 C GLY A 124 132.106 0.580 1.953 1.00 0.00 C ATOM 1515 O GLY A 124 131.789 -0.425 2.561 1.00 0.00 O ATOM 0 H GLY A 124 130.497 -0.959 0.627 1.00 0.00 H new ATOM 0 HA2 GLY A 124 132.712 0.914 -0.095 1.00 0.00 H new ATOM 0 HA3 GLY A 124 131.144 1.589 0.301 1.00 0.00 H new ATOM 1519 N SER A 125 132.726 1.571 2.542 1.00 0.00 N ATOM 1520 CA SER A 125 133.060 1.493 3.996 1.00 0.00 C ATOM 1521 C SER A 125 132.213 2.494 4.787 1.00 0.00 C ATOM 1522 O SER A 125 131.619 3.397 4.225 1.00 0.00 O ATOM 1523 CB SER A 125 134.543 1.853 4.084 1.00 0.00 C ATOM 1524 OG SER A 125 134.711 3.231 3.782 1.00 0.00 O ATOM 0 H SER A 125 133.016 2.432 2.078 1.00 0.00 H new ATOM 0 HA SER A 125 132.857 0.507 4.414 1.00 0.00 H new ATOM 0 HB2 SER A 125 134.922 1.639 5.083 1.00 0.00 H new ATOM 0 HB3 SER A 125 135.119 1.244 3.388 1.00 0.00 H new ATOM 0 HG SER A 125 135.297 3.326 3.002 1.00 0.00 H new ATOM 1530 N LEU A 126 132.149 2.337 6.085 1.00 0.00 N ATOM 1531 CA LEU A 126 131.336 3.272 6.921 1.00 0.00 C ATOM 1532 C LEU A 126 132.251 4.168 7.762 1.00 0.00 C ATOM 1533 O LEU A 126 133.163 3.698 8.417 1.00 0.00 O ATOM 1534 CB LEU A 126 130.495 2.360 7.817 1.00 0.00 C ATOM 1535 CG LEU A 126 129.551 3.201 8.676 1.00 0.00 C ATOM 1536 CD1 LEU A 126 128.437 3.785 7.803 1.00 0.00 C ATOM 1537 CD2 LEU A 126 128.935 2.316 9.762 1.00 0.00 C ATOM 0 H LEU A 126 132.626 1.599 6.603 1.00 0.00 H new ATOM 0 HA LEU A 126 130.717 3.938 6.319 1.00 0.00 H new ATOM 0 HB2 LEU A 126 129.921 1.664 7.205 1.00 0.00 H new ATOM 0 HB3 LEU A 126 131.146 1.762 8.455 1.00 0.00 H new ATOM 0 HG LEU A 126 130.110 4.016 9.137 1.00 0.00 H new ATOM 0 HD11 LEU A 126 127.767 4.384 8.420 1.00 0.00 H new ATOM 0 HD12 LEU A 126 128.874 4.414 7.027 1.00 0.00 H new ATOM 0 HD13 LEU A 126 127.875 2.974 7.339 1.00 0.00 H new ATOM 0 HD21 LEU A 126 128.261 2.911 10.378 1.00 0.00 H new ATOM 0 HD22 LEU A 126 128.378 1.503 9.296 1.00 0.00 H new ATOM 0 HD23 LEU A 126 129.727 1.902 10.387 1.00 0.00 H new ATOM 1549 N LEU A 127 132.013 5.455 7.744 1.00 0.00 N ATOM 1550 CA LEU A 127 132.866 6.396 8.538 1.00 0.00 C ATOM 1551 C LEU A 127 132.796 6.053 10.029 1.00 0.00 C ATOM 1552 O LEU A 127 133.809 5.890 10.684 1.00 0.00 O ATOM 1553 CB LEU A 127 132.275 7.786 8.281 1.00 0.00 C ATOM 1554 CG LEU A 127 133.399 8.823 8.248 1.00 0.00 C ATOM 1555 CD1 LEU A 127 133.908 8.980 6.815 1.00 0.00 C ATOM 1556 CD2 LEU A 127 132.865 10.168 8.747 1.00 0.00 C ATOM 0 H LEU A 127 131.263 5.897 7.213 1.00 0.00 H new ATOM 0 HA LEU A 127 133.915 6.338 8.249 1.00 0.00 H new ATOM 0 HB2 LEU A 127 131.733 7.793 7.336 1.00 0.00 H new ATOM 0 HB3 LEU A 127 131.557 8.037 9.062 1.00 0.00 H new ATOM 0 HG LEU A 127 134.216 8.493 8.890 1.00 0.00 H new ATOM 0 HD11 LEU A 127 134.709 9.719 6.792 1.00 0.00 H new ATOM 0 HD12 LEU A 127 134.287 8.023 6.457 1.00 0.00 H new ATOM 0 HD13 LEU A 127 133.091 9.310 6.173 1.00 0.00 H new ATOM 0 HD21 LEU A 127 133.665 10.908 8.724 1.00 0.00 H new ATOM 0 HD22 LEU A 127 132.048 10.496 8.104 1.00 0.00 H new ATOM 0 HD23 LEU A 127 132.501 10.059 9.769 1.00 0.00 H new ATOM 1568 N SER A 128 131.608 5.939 10.566 1.00 0.00 N ATOM 1569 CA SER A 128 131.461 5.603 12.014 1.00 0.00 C ATOM 1570 C SER A 128 131.143 4.107 12.176 1.00 0.00 C ATOM 1571 O SER A 128 130.049 3.682 11.863 1.00 0.00 O ATOM 1572 CB SER A 128 130.288 6.453 12.499 1.00 0.00 C ATOM 1573 OG SER A 128 130.655 7.825 12.460 1.00 0.00 O ATOM 0 H SER A 128 130.730 6.065 10.062 1.00 0.00 H new ATOM 0 HA SER A 128 132.370 5.802 12.581 1.00 0.00 H new ATOM 0 HB2 SER A 128 129.414 6.280 11.870 1.00 0.00 H new ATOM 0 HB3 SER A 128 130.012 6.167 13.514 1.00 0.00 H new ATOM 0 HG SER A 128 129.904 8.373 12.769 1.00 0.00 H new ATOM 1579 N PRO A 129 132.105 3.342 12.656 1.00 0.00 N ATOM 1580 CA PRO A 129 131.881 1.892 12.836 1.00 0.00 C ATOM 1581 C PRO A 129 130.951 1.626 14.024 1.00 0.00 C ATOM 1582 O PRO A 129 131.330 1.789 15.168 1.00 0.00 O ATOM 1583 CB PRO A 129 133.277 1.333 13.099 1.00 0.00 C ATOM 1584 CG PRO A 129 134.057 2.481 13.645 1.00 0.00 C ATOM 1585 CD PRO A 129 133.458 3.737 13.068 1.00 0.00 C ATOM 0 HA PRO A 129 131.401 1.431 11.973 1.00 0.00 H new ATOM 0 HB2 PRO A 129 133.244 0.506 13.808 1.00 0.00 H new ATOM 0 HB3 PRO A 129 133.727 0.950 12.183 1.00 0.00 H new ATOM 0 HG2 PRO A 129 134.009 2.496 14.734 1.00 0.00 H new ATOM 0 HG3 PRO A 129 135.109 2.396 13.373 1.00 0.00 H new ATOM 0 HD2 PRO A 129 133.430 4.539 13.806 1.00 0.00 H new ATOM 0 HD3 PRO A 129 134.040 4.102 12.222 1.00 0.00 H new ATOM 1593 N ARG A 130 129.739 1.212 13.754 1.00 0.00 N ATOM 1594 CA ARG A 130 128.775 0.923 14.856 1.00 0.00 C ATOM 1595 C ARG A 130 128.425 -0.573 14.864 1.00 0.00 C ATOM 1596 O ARG A 130 128.640 -1.252 13.881 1.00 0.00 O ATOM 1597 CB ARG A 130 127.539 1.767 14.540 1.00 0.00 C ATOM 1598 CG ARG A 130 127.729 3.178 15.102 1.00 0.00 C ATOM 1599 CD ARG A 130 127.061 4.196 14.174 1.00 0.00 C ATOM 1600 NE ARG A 130 127.010 5.471 14.957 1.00 0.00 N ATOM 1601 CZ ARG A 130 126.699 6.615 14.382 1.00 0.00 C ATOM 1602 NH1 ARG A 130 126.616 6.727 13.076 1.00 0.00 N ATOM 1603 NH2 ARG A 130 126.472 7.662 15.128 1.00 0.00 N ATOM 0 H ARG A 130 129.375 1.061 12.813 1.00 0.00 H new ATOM 0 HA ARG A 130 129.183 1.162 15.838 1.00 0.00 H new ATOM 0 HB2 ARG A 130 127.381 1.811 13.462 1.00 0.00 H new ATOM 0 HB3 ARG A 130 126.651 1.308 14.974 1.00 0.00 H new ATOM 0 HG2 ARG A 130 127.297 3.243 16.101 1.00 0.00 H new ATOM 0 HG3 ARG A 130 128.791 3.402 15.199 1.00 0.00 H new ATOM 0 HD2 ARG A 130 127.631 4.322 13.254 1.00 0.00 H new ATOM 0 HD3 ARG A 130 126.061 3.870 13.888 1.00 0.00 H new ATOM 0 HE ARG A 130 127.220 5.454 15.955 1.00 0.00 H new ATOM 0 HH11 ARG A 130 126.794 5.917 12.482 1.00 0.00 H new ATOM 0 HH12 ARG A 130 126.373 7.624 12.655 1.00 0.00 H new ATOM 0 HH21 ARG A 130 126.536 7.588 16.143 1.00 0.00 H new ATOM 0 HH22 ARG A 130 126.230 8.554 14.696 1.00 0.00 H new ATOM 1617 N PRO A 131 127.905 -1.050 15.974 1.00 0.00 N ATOM 1618 CA PRO A 131 127.544 -2.488 16.080 1.00 0.00 C ATOM 1619 C PRO A 131 126.345 -2.820 15.187 1.00 0.00 C ATOM 1620 O PRO A 131 125.495 -1.987 14.943 1.00 0.00 O ATOM 1621 CB PRO A 131 127.195 -2.664 17.556 1.00 0.00 C ATOM 1622 CG PRO A 131 126.792 -1.302 18.021 1.00 0.00 C ATOM 1623 CD PRO A 131 127.598 -0.318 17.216 1.00 0.00 C ATOM 0 HA PRO A 131 128.346 -3.151 15.754 1.00 0.00 H new ATOM 0 HB2 PRO A 131 126.385 -3.382 17.688 1.00 0.00 H new ATOM 0 HB3 PRO A 131 128.048 -3.038 18.122 1.00 0.00 H new ATOM 0 HG2 PRO A 131 125.724 -1.142 17.872 1.00 0.00 H new ATOM 0 HG3 PRO A 131 126.987 -1.183 19.087 1.00 0.00 H new ATOM 0 HD2 PRO A 131 127.033 0.592 17.015 1.00 0.00 H new ATOM 0 HD3 PRO A 131 128.506 -0.021 17.740 1.00 0.00 H new ATOM 1631 N VAL A 132 126.270 -4.041 14.703 1.00 0.00 N ATOM 1632 CA VAL A 132 125.117 -4.445 13.826 1.00 0.00 C ATOM 1633 C VAL A 132 123.789 -4.091 14.518 1.00 0.00 C ATOM 1634 O VAL A 132 122.801 -3.811 13.870 1.00 0.00 O ATOM 1635 CB VAL A 132 125.268 -5.976 13.645 1.00 0.00 C ATOM 1636 CG1 VAL A 132 124.037 -6.575 12.940 1.00 0.00 C ATOM 1637 CG2 VAL A 132 126.518 -6.277 12.799 1.00 0.00 C ATOM 0 H VAL A 132 126.956 -4.775 14.877 1.00 0.00 H new ATOM 0 HA VAL A 132 125.116 -3.931 12.865 1.00 0.00 H new ATOM 0 HB VAL A 132 125.362 -6.424 14.634 1.00 0.00 H new ATOM 0 HG11 VAL A 132 124.170 -7.651 12.826 1.00 0.00 H new ATOM 0 HG12 VAL A 132 123.146 -6.381 13.537 1.00 0.00 H new ATOM 0 HG13 VAL A 132 123.922 -6.118 11.957 1.00 0.00 H new ATOM 0 HG21 VAL A 132 126.622 -7.355 12.673 1.00 0.00 H new ATOM 0 HG22 VAL A 132 126.418 -5.806 11.821 1.00 0.00 H new ATOM 0 HG23 VAL A 132 127.401 -5.884 13.302 1.00 0.00 H new ATOM 1647 N SER A 133 123.771 -4.107 15.828 1.00 0.00 N ATOM 1648 CA SER A 133 122.514 -3.780 16.575 1.00 0.00 C ATOM 1649 C SER A 133 122.042 -2.355 16.262 1.00 0.00 C ATOM 1650 O SER A 133 120.862 -2.115 16.081 1.00 0.00 O ATOM 1651 CB SER A 133 122.881 -3.905 18.054 1.00 0.00 C ATOM 1652 OG SER A 133 121.727 -3.661 18.845 1.00 0.00 O ATOM 0 H SER A 133 124.574 -4.333 16.415 1.00 0.00 H new ATOM 0 HA SER A 133 121.698 -4.446 16.295 1.00 0.00 H new ATOM 0 HB2 SER A 133 123.274 -4.901 18.260 1.00 0.00 H new ATOM 0 HB3 SER A 133 123.667 -3.193 18.307 1.00 0.00 H new ATOM 0 HG SER A 133 121.958 -3.742 19.794 1.00 0.00 H new ATOM 1658 N TYR A 134 122.948 -1.410 16.197 1.00 0.00 N ATOM 1659 CA TYR A 134 122.541 -0.001 15.896 1.00 0.00 C ATOM 1660 C TYR A 134 122.012 0.080 14.465 1.00 0.00 C ATOM 1661 O TYR A 134 121.044 0.759 14.183 1.00 0.00 O ATOM 1662 CB TYR A 134 123.818 0.834 16.049 1.00 0.00 C ATOM 1663 CG TYR A 134 123.506 2.290 15.793 1.00 0.00 C ATOM 1664 CD1 TYR A 134 122.852 3.052 16.768 1.00 0.00 C ATOM 1665 CD2 TYR A 134 123.873 2.874 14.578 1.00 0.00 C ATOM 1666 CE1 TYR A 134 122.564 4.401 16.525 1.00 0.00 C ATOM 1667 CE2 TYR A 134 123.587 4.222 14.333 1.00 0.00 C ATOM 1668 CZ TYR A 134 122.931 4.986 15.307 1.00 0.00 C ATOM 1669 OH TYR A 134 122.648 6.315 15.066 1.00 0.00 O ATOM 0 H TYR A 134 123.948 -1.552 16.339 1.00 0.00 H new ATOM 0 HA TYR A 134 121.752 0.356 16.558 1.00 0.00 H new ATOM 0 HB2 TYR A 134 124.227 0.710 17.052 1.00 0.00 H new ATOM 0 HB3 TYR A 134 124.578 0.486 15.349 1.00 0.00 H new ATOM 0 HD1 TYR A 134 122.570 2.600 17.707 1.00 0.00 H new ATOM 0 HD2 TYR A 134 124.378 2.285 13.827 1.00 0.00 H new ATOM 0 HE1 TYR A 134 122.059 4.990 17.277 1.00 0.00 H new ATOM 0 HE2 TYR A 134 123.872 4.673 13.394 1.00 0.00 H new ATOM 0 HH TYR A 134 122.971 6.562 14.174 1.00 0.00 H new ATOM 1679 N LEU A 135 122.650 -0.617 13.567 1.00 0.00 N ATOM 1680 CA LEU A 135 122.213 -0.610 12.142 1.00 0.00 C ATOM 1681 C LEU A 135 121.264 -1.787 11.876 1.00 0.00 C ATOM 1682 O LEU A 135 121.067 -2.184 10.744 1.00 0.00 O ATOM 1683 CB LEU A 135 123.516 -0.769 11.355 1.00 0.00 C ATOM 1684 CG LEU A 135 123.284 -0.467 9.868 1.00 0.00 C ATOM 1685 CD1 LEU A 135 122.839 0.986 9.693 1.00 0.00 C ATOM 1686 CD2 LEU A 135 124.589 -0.688 9.100 1.00 0.00 C ATOM 0 H LEU A 135 123.465 -1.198 13.762 1.00 0.00 H new ATOM 0 HA LEU A 135 121.670 0.293 11.865 1.00 0.00 H new ATOM 0 HB2 LEU A 135 124.274 -0.096 11.755 1.00 0.00 H new ATOM 0 HB3 LEU A 135 123.897 -1.784 11.471 1.00 0.00 H new ATOM 0 HG LEU A 135 122.508 -1.129 9.484 1.00 0.00 H new ATOM 0 HD11 LEU A 135 122.677 1.192 8.635 1.00 0.00 H new ATOM 0 HD12 LEU A 135 121.912 1.151 10.241 1.00 0.00 H new ATOM 0 HD13 LEU A 135 123.611 1.652 10.078 1.00 0.00 H new ATOM 0 HD21 LEU A 135 124.430 -0.475 8.043 1.00 0.00 H new ATOM 0 HD22 LEU A 135 125.359 -0.024 9.492 1.00 0.00 H new ATOM 0 HD23 LEU A 135 124.909 -1.723 9.217 1.00 0.00 H new ATOM 1698 N LYS A 136 120.686 -2.362 12.909 1.00 0.00 N ATOM 1699 CA LYS A 136 119.773 -3.521 12.696 1.00 0.00 C ATOM 1700 C LYS A 136 118.385 -3.084 12.308 1.00 0.00 C ATOM 1701 O LYS A 136 117.685 -2.409 13.039 1.00 0.00 O ATOM 1702 CB LYS A 136 119.777 -4.320 13.998 1.00 0.00 C ATOM 1703 CG LYS A 136 119.581 -5.797 13.665 1.00 0.00 C ATOM 1704 CD LYS A 136 120.165 -6.661 14.782 1.00 0.00 C ATOM 1705 CE LYS A 136 120.712 -7.958 14.182 1.00 0.00 C ATOM 1706 NZ LYS A 136 121.089 -8.794 15.356 1.00 0.00 N ATOM 0 H LYS A 136 120.810 -2.077 13.881 1.00 0.00 H new ATOM 0 HA LYS A 136 120.119 -4.135 11.864 1.00 0.00 H new ATOM 0 HB2 LYS A 136 120.718 -4.174 14.529 1.00 0.00 H new ATOM 0 HB3 LYS A 136 118.982 -3.972 14.657 1.00 0.00 H new ATOM 0 HG2 LYS A 136 118.520 -6.014 13.542 1.00 0.00 H new ATOM 0 HG3 LYS A 136 120.067 -6.033 12.718 1.00 0.00 H new ATOM 0 HD2 LYS A 136 120.959 -6.121 15.298 1.00 0.00 H new ATOM 0 HD3 LYS A 136 119.398 -6.885 15.524 1.00 0.00 H new ATOM 0 HE2 LYS A 136 119.962 -8.456 13.567 1.00 0.00 H new ATOM 0 HE3 LYS A 136 121.573 -7.765 13.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 121.473 -9.702 15.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 121.809 -8.297 15.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 120.248 -8.967 15.943 1.00 0.00 H new ATOM 1720 N GLY A 137 117.998 -3.482 11.129 1.00 0.00 N ATOM 1721 CA GLY A 137 116.644 -3.111 10.624 1.00 0.00 C ATOM 1722 C GLY A 137 116.761 -1.940 9.652 1.00 0.00 C ATOM 1723 O GLY A 137 115.834 -1.168 9.485 1.00 0.00 O ATOM 0 H GLY A 137 118.559 -4.048 10.492 1.00 0.00 H new ATOM 0 HA2 GLY A 137 116.184 -3.965 10.126 1.00 0.00 H new ATOM 0 HA3 GLY A 137 115.996 -2.841 11.458 1.00 0.00 H new ATOM 1727 N SER A 138 117.891 -1.804 9.006 1.00 0.00 N ATOM 1728 CA SER A 138 118.071 -0.685 8.040 1.00 0.00 C ATOM 1729 C SER A 138 118.185 -1.226 6.611 1.00 0.00 C ATOM 1730 O SER A 138 118.702 -0.560 5.733 1.00 0.00 O ATOM 1731 CB SER A 138 119.371 -0.001 8.459 1.00 0.00 C ATOM 1732 OG SER A 138 119.154 0.718 9.666 1.00 0.00 O ATOM 0 H SER A 138 118.696 -2.422 9.108 1.00 0.00 H new ATOM 0 HA SER A 138 117.227 0.004 8.050 1.00 0.00 H new ATOM 0 HB2 SER A 138 120.157 -0.743 8.600 1.00 0.00 H new ATOM 0 HB3 SER A 138 119.709 0.676 7.674 1.00 0.00 H new ATOM 0 HG SER A 138 119.748 0.372 10.364 1.00 0.00 H new ATOM 1738 N SER A 139 117.697 -2.422 6.364 1.00 0.00 N ATOM 1739 CA SER A 139 117.774 -2.982 4.981 1.00 0.00 C ATOM 1740 C SER A 139 116.850 -2.176 4.070 1.00 0.00 C ATOM 1741 O SER A 139 115.699 -1.944 4.394 1.00 0.00 O ATOM 1742 CB SER A 139 117.298 -4.431 5.097 1.00 0.00 C ATOM 1743 OG SER A 139 118.413 -5.307 4.980 1.00 0.00 O ATOM 0 H SER A 139 117.254 -3.026 7.056 1.00 0.00 H new ATOM 0 HA SER A 139 118.779 -2.935 4.560 1.00 0.00 H new ATOM 0 HB2 SER A 139 116.799 -4.586 6.054 1.00 0.00 H new ATOM 0 HB3 SER A 139 116.568 -4.649 4.318 1.00 0.00 H new ATOM 0 HG SER A 139 118.098 -6.234 4.940 1.00 0.00 H new ATOM 1749 N GLY A 140 117.347 -1.731 2.948 1.00 0.00 N ATOM 1750 CA GLY A 140 116.501 -0.920 2.025 1.00 0.00 C ATOM 1751 C GLY A 140 116.929 0.555 2.085 1.00 0.00 C ATOM 1752 O GLY A 140 116.547 1.347 1.244 1.00 0.00 O ATOM 0 H GLY A 140 118.302 -1.894 2.630 1.00 0.00 H new ATOM 0 HA2 GLY A 140 116.597 -1.295 1.006 1.00 0.00 H new ATOM 0 HA3 GLY A 140 115.451 -1.015 2.302 1.00 0.00 H new ATOM 1756 N GLY A 141 117.723 0.935 3.068 1.00 0.00 N ATOM 1757 CA GLY A 141 118.175 2.360 3.172 1.00 0.00 C ATOM 1758 C GLY A 141 118.847 2.781 1.851 1.00 0.00 C ATOM 1759 O GLY A 141 119.899 2.272 1.518 1.00 0.00 O ATOM 0 H GLY A 141 118.075 0.317 3.800 1.00 0.00 H new ATOM 0 HA2 GLY A 141 117.325 3.008 3.383 1.00 0.00 H new ATOM 0 HA3 GLY A 141 118.874 2.472 4.000 1.00 0.00 H new ATOM 1763 N PRO A 142 118.219 3.681 1.121 1.00 0.00 N ATOM 1764 CA PRO A 142 118.793 4.119 -0.175 1.00 0.00 C ATOM 1765 C PRO A 142 120.012 5.022 0.038 1.00 0.00 C ATOM 1766 O PRO A 142 120.132 5.695 1.046 1.00 0.00 O ATOM 1767 CB PRO A 142 117.654 4.893 -0.834 1.00 0.00 C ATOM 1768 CG PRO A 142 116.796 5.363 0.296 1.00 0.00 C ATOM 1769 CD PRO A 142 116.951 4.370 1.417 1.00 0.00 C ATOM 0 HA PRO A 142 119.145 3.284 -0.781 1.00 0.00 H new ATOM 0 HB2 PRO A 142 118.033 5.733 -1.416 1.00 0.00 H new ATOM 0 HB3 PRO A 142 117.091 4.259 -1.519 1.00 0.00 H new ATOM 0 HG2 PRO A 142 117.098 6.359 0.620 1.00 0.00 H new ATOM 0 HG3 PRO A 142 115.754 5.432 -0.015 1.00 0.00 H new ATOM 0 HD2 PRO A 142 116.985 4.867 2.387 1.00 0.00 H new ATOM 0 HD3 PRO A 142 116.116 3.670 1.447 1.00 0.00 H new ATOM 1777 N LEU A 143 120.910 5.043 -0.914 1.00 0.00 N ATOM 1778 CA LEU A 143 122.125 5.902 -0.798 1.00 0.00 C ATOM 1779 C LEU A 143 122.017 7.074 -1.774 1.00 0.00 C ATOM 1780 O LEU A 143 121.846 6.881 -2.963 1.00 0.00 O ATOM 1781 CB LEU A 143 123.291 4.992 -1.182 1.00 0.00 C ATOM 1782 CG LEU A 143 123.496 3.937 -0.095 1.00 0.00 C ATOM 1783 CD1 LEU A 143 124.323 2.781 -0.655 1.00 0.00 C ATOM 1784 CD2 LEU A 143 124.236 4.564 1.088 1.00 0.00 C ATOM 0 H LEU A 143 120.852 4.497 -1.773 1.00 0.00 H new ATOM 0 HA LEU A 143 122.251 6.320 0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 143 123.089 4.509 -2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 143 124.199 5.581 -1.307 1.00 0.00 H new ATOM 0 HG LEU A 143 122.527 3.564 0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 143 124.469 2.029 0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 143 123.799 2.334 -1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 143 125.292 3.154 -0.986 1.00 0.00 H new ATOM 0 HD21 LEU A 143 124.383 3.813 1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 143 125.205 4.936 0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 143 123.648 5.390 1.489 1.00 0.00 H new ATOM 1796 N LEU A 144 122.103 8.286 -1.284 1.00 0.00 N ATOM 1797 CA LEU A 144 121.991 9.472 -2.185 1.00 0.00 C ATOM 1798 C LEU A 144 123.249 10.342 -2.100 1.00 0.00 C ATOM 1799 O LEU A 144 123.791 10.564 -1.033 1.00 0.00 O ATOM 1800 CB LEU A 144 120.775 10.245 -1.666 1.00 0.00 C ATOM 1801 CG LEU A 144 119.552 9.930 -2.530 1.00 0.00 C ATOM 1802 CD1 LEU A 144 118.288 10.006 -1.672 1.00 0.00 C ATOM 1803 CD2 LEU A 144 119.456 10.951 -3.666 1.00 0.00 C ATOM 0 H LEU A 144 122.246 8.504 -0.298 1.00 0.00 H new ATOM 0 HA LEU A 144 121.884 9.180 -3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 144 120.577 9.976 -0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 144 120.978 11.316 -1.684 1.00 0.00 H new ATOM 0 HG LEU A 144 119.650 8.927 -2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 144 117.417 9.782 -2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 144 118.355 9.282 -0.860 1.00 0.00 H new ATOM 0 HD13 LEU A 144 118.190 11.009 -1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 144 118.585 10.728 -4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 144 119.358 11.953 -3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 144 120.357 10.900 -4.278 1.00 0.00 H new ATOM 1815 N CYS A 145 123.705 10.845 -3.220 1.00 0.00 N ATOM 1816 CA CYS A 145 124.918 11.718 -3.220 1.00 0.00 C ATOM 1817 C CYS A 145 124.556 13.098 -2.651 1.00 0.00 C ATOM 1818 O CYS A 145 123.393 13.437 -2.577 1.00 0.00 O ATOM 1819 CB CYS A 145 125.328 11.846 -4.689 1.00 0.00 C ATOM 1820 SG CYS A 145 126.029 10.282 -5.266 1.00 0.00 S ATOM 0 H CYS A 145 123.288 10.688 -4.137 1.00 0.00 H new ATOM 0 HA CYS A 145 125.723 11.307 -2.611 1.00 0.00 H new ATOM 0 HB2 CYS A 145 124.463 12.113 -5.296 1.00 0.00 H new ATOM 0 HB3 CYS A 145 126.058 12.647 -4.804 1.00 0.00 H new ATOM 0 HG CYS A 145 127.271 10.462 -5.604 1.00 0.00 H new ATOM 1825 N PRO A 146 125.558 13.862 -2.276 1.00 0.00 N ATOM 1826 CA PRO A 146 125.295 15.215 -1.725 1.00 0.00 C ATOM 1827 C PRO A 146 124.733 16.116 -2.826 1.00 0.00 C ATOM 1828 O PRO A 146 123.790 16.855 -2.616 1.00 0.00 O ATOM 1829 CB PRO A 146 126.670 15.691 -1.259 1.00 0.00 C ATOM 1830 CG PRO A 146 127.640 14.906 -2.080 1.00 0.00 C ATOM 1831 CD PRO A 146 127.000 13.567 -2.329 1.00 0.00 C ATOM 0 HA PRO A 146 124.565 15.226 -0.916 1.00 0.00 H new ATOM 0 HB2 PRO A 146 126.793 16.762 -1.417 1.00 0.00 H new ATOM 0 HB3 PRO A 146 126.813 15.508 -0.194 1.00 0.00 H new ATOM 0 HG2 PRO A 146 127.854 15.415 -3.020 1.00 0.00 H new ATOM 0 HG3 PRO A 146 128.589 14.791 -1.556 1.00 0.00 H new ATOM 0 HD2 PRO A 146 127.291 13.156 -3.296 1.00 0.00 H new ATOM 0 HD3 PRO A 146 127.289 12.837 -1.573 1.00 0.00 H new ATOM 1839 N SER A 147 125.302 16.045 -4.001 1.00 0.00 N ATOM 1840 CA SER A 147 124.806 16.877 -5.134 1.00 0.00 C ATOM 1841 C SER A 147 124.338 15.973 -6.279 1.00 0.00 C ATOM 1842 O SER A 147 124.372 16.356 -7.434 1.00 0.00 O ATOM 1843 CB SER A 147 126.006 17.717 -5.567 1.00 0.00 C ATOM 1844 OG SER A 147 126.102 18.863 -4.731 1.00 0.00 O ATOM 0 H SER A 147 126.094 15.442 -4.224 1.00 0.00 H new ATOM 0 HA SER A 147 123.958 17.501 -4.852 1.00 0.00 H new ATOM 0 HB2 SER A 147 126.920 17.127 -5.502 1.00 0.00 H new ATOM 0 HB3 SER A 147 125.896 18.020 -6.608 1.00 0.00 H new ATOM 0 HG SER A 147 126.872 19.404 -5.005 1.00 0.00 H new ATOM 1850 N GLY A 148 123.908 14.772 -5.969 1.00 0.00 N ATOM 1851 CA GLY A 148 123.446 13.840 -7.039 1.00 0.00 C ATOM 1852 C GLY A 148 122.191 13.096 -6.577 1.00 0.00 C ATOM 1853 O GLY A 148 121.637 13.379 -5.532 1.00 0.00 O ATOM 0 H GLY A 148 123.858 14.400 -5.020 1.00 0.00 H new ATOM 0 HA2 GLY A 148 123.234 14.397 -7.952 1.00 0.00 H new ATOM 0 HA3 GLY A 148 124.235 13.127 -7.277 1.00 0.00 H new ATOM 1857 N HIS A 149 121.741 12.146 -7.358 1.00 0.00 N ATOM 1858 CA HIS A 149 120.518 11.372 -6.987 1.00 0.00 C ATOM 1859 C HIS A 149 120.904 10.052 -6.308 1.00 0.00 C ATOM 1860 O HIS A 149 122.042 9.849 -5.930 1.00 0.00 O ATOM 1861 CB HIS A 149 119.798 11.109 -8.309 1.00 0.00 C ATOM 1862 CG HIS A 149 119.330 12.412 -8.903 1.00 0.00 C ATOM 1863 ND1 HIS A 149 118.484 12.460 -10.000 1.00 0.00 N ATOM 1864 CD2 HIS A 149 119.579 13.722 -8.566 1.00 0.00 C ATOM 1865 CE1 HIS A 149 118.256 13.756 -10.281 1.00 0.00 C ATOM 1866 NE2 HIS A 149 118.900 14.567 -9.437 1.00 0.00 N ATOM 0 H HIS A 149 122.171 11.872 -8.241 1.00 0.00 H new ATOM 0 HA HIS A 149 119.888 11.913 -6.281 1.00 0.00 H new ATOM 0 HB2 HIS A 149 120.467 10.602 -9.004 1.00 0.00 H new ATOM 0 HB3 HIS A 149 118.948 10.447 -8.145 1.00 0.00 H new ATOM 0 HD2 HIS A 149 120.207 14.045 -7.749 1.00 0.00 H new ATOM 0 HE1 HIS A 149 117.629 14.099 -11.090 1.00 0.00 H new ATOM 0 HE2 HIS A 149 118.895 15.587 -9.432 1.00 0.00 H new ATOM 1874 N ALA A 150 119.957 9.162 -6.142 1.00 0.00 N ATOM 1875 CA ALA A 150 120.253 7.852 -5.474 1.00 0.00 C ATOM 1876 C ALA A 150 121.236 7.023 -6.308 1.00 0.00 C ATOM 1877 O ALA A 150 121.247 7.093 -7.521 1.00 0.00 O ATOM 1878 CB ALA A 150 118.905 7.136 -5.378 1.00 0.00 C ATOM 0 H ALA A 150 118.989 9.284 -6.440 1.00 0.00 H new ATOM 0 HA ALA A 150 120.714 7.995 -4.497 1.00 0.00 H new ATOM 0 HB1 ALA A 150 119.041 6.167 -4.898 1.00 0.00 H new ATOM 0 HB2 ALA A 150 118.214 7.739 -4.788 1.00 0.00 H new ATOM 0 HB3 ALA A 150 118.498 6.992 -6.379 1.00 0.00 H new ATOM 1884 N VAL A 151 122.056 6.235 -5.656 1.00 0.00 N ATOM 1885 CA VAL A 151 123.042 5.388 -6.395 1.00 0.00 C ATOM 1886 C VAL A 151 122.794 3.899 -6.118 1.00 0.00 C ATOM 1887 O VAL A 151 123.074 3.056 -6.949 1.00 0.00 O ATOM 1888 CB VAL A 151 124.420 5.812 -5.870 1.00 0.00 C ATOM 1889 CG1 VAL A 151 124.652 7.291 -6.177 1.00 0.00 C ATOM 1890 CG2 VAL A 151 124.497 5.593 -4.355 1.00 0.00 C ATOM 0 H VAL A 151 122.084 6.142 -4.641 1.00 0.00 H new ATOM 0 HA VAL A 151 122.960 5.523 -7.473 1.00 0.00 H new ATOM 0 HB VAL A 151 125.185 5.209 -6.359 1.00 0.00 H new ATOM 0 HG11 VAL A 151 125.631 7.591 -5.804 1.00 0.00 H new ATOM 0 HG12 VAL A 151 124.610 7.450 -7.255 1.00 0.00 H new ATOM 0 HG13 VAL A 151 123.880 7.889 -5.692 1.00 0.00 H new ATOM 0 HG21 VAL A 151 125.479 5.897 -3.993 1.00 0.00 H new ATOM 0 HG22 VAL A 151 123.728 6.188 -3.862 1.00 0.00 H new ATOM 0 HG23 VAL A 151 124.339 4.538 -4.131 1.00 0.00 H new ATOM 1900 N GLY A 152 122.279 3.569 -4.955 1.00 0.00 N ATOM 1901 CA GLY A 152 122.023 2.132 -4.631 1.00 0.00 C ATOM 1902 C GLY A 152 121.169 2.023 -3.365 1.00 0.00 C ATOM 1903 O GLY A 152 120.547 2.977 -2.941 1.00 0.00 O ATOM 0 H GLY A 152 122.027 4.231 -4.221 1.00 0.00 H new ATOM 0 HA2 GLY A 152 121.515 1.648 -5.465 1.00 0.00 H new ATOM 0 HA3 GLY A 152 122.969 1.609 -4.487 1.00 0.00 H new ATOM 1907 N ILE A 153 121.135 0.859 -2.764 1.00 0.00 N ATOM 1908 CA ILE A 153 120.323 0.668 -1.524 1.00 0.00 C ATOM 1909 C ILE A 153 121.069 -0.266 -0.549 1.00 0.00 C ATOM 1910 O ILE A 153 121.936 -1.018 -0.951 1.00 0.00 O ATOM 1911 CB ILE A 153 118.995 0.062 -2.020 1.00 0.00 C ATOM 1912 CG1 ILE A 153 117.946 0.166 -0.905 1.00 0.00 C ATOM 1913 CG2 ILE A 153 119.183 -1.406 -2.434 1.00 0.00 C ATOM 1914 CD1 ILE A 153 116.602 -0.387 -1.391 1.00 0.00 C ATOM 0 H ILE A 153 121.637 0.030 -3.081 1.00 0.00 H new ATOM 0 HA ILE A 153 120.147 1.592 -0.973 1.00 0.00 H new ATOM 0 HB ILE A 153 118.658 0.617 -2.895 1.00 0.00 H new ATOM 0 HG12 ILE A 153 118.280 -0.389 -0.028 1.00 0.00 H new ATOM 0 HG13 ILE A 153 117.831 1.206 -0.600 1.00 0.00 H new ATOM 0 HG21 ILE A 153 118.232 -1.811 -2.780 1.00 0.00 H new ATOM 0 HG22 ILE A 153 119.917 -1.466 -3.237 1.00 0.00 H new ATOM 0 HG23 ILE A 153 119.533 -1.983 -1.578 1.00 0.00 H new ATOM 0 HD11 ILE A 153 115.865 -0.308 -0.591 1.00 0.00 H new ATOM 0 HD12 ILE A 153 116.263 0.186 -2.254 1.00 0.00 H new ATOM 0 HD13 ILE A 153 116.720 -1.433 -1.674 1.00 0.00 H new ATOM 1926 N PHE A 154 120.746 -0.219 0.723 1.00 0.00 N ATOM 1927 CA PHE A 154 121.454 -1.099 1.708 1.00 0.00 C ATOM 1928 C PHE A 154 121.047 -2.563 1.528 1.00 0.00 C ATOM 1929 O PHE A 154 120.012 -2.869 0.968 1.00 0.00 O ATOM 1930 CB PHE A 154 121.033 -0.604 3.097 1.00 0.00 C ATOM 1931 CG PHE A 154 122.008 -1.129 4.133 1.00 0.00 C ATOM 1932 CD1 PHE A 154 123.391 -0.972 3.948 1.00 0.00 C ATOM 1933 CD2 PHE A 154 121.531 -1.783 5.277 1.00 0.00 C ATOM 1934 CE1 PHE A 154 124.288 -1.464 4.902 1.00 0.00 C ATOM 1935 CE2 PHE A 154 122.431 -2.272 6.231 1.00 0.00 C ATOM 1936 CZ PHE A 154 123.808 -2.114 6.044 1.00 0.00 C ATOM 0 H PHE A 154 120.027 0.387 1.119 1.00 0.00 H new ATOM 0 HA PHE A 154 122.534 -1.049 1.568 1.00 0.00 H new ATOM 0 HB2 PHE A 154 121.015 0.486 3.117 1.00 0.00 H new ATOM 0 HB3 PHE A 154 120.023 -0.944 3.326 1.00 0.00 H new ATOM 0 HD1 PHE A 154 123.763 -0.470 3.067 1.00 0.00 H new ATOM 0 HD2 PHE A 154 120.468 -1.910 5.423 1.00 0.00 H new ATOM 0 HE1 PHE A 154 125.351 -1.342 4.757 1.00 0.00 H new ATOM 0 HE2 PHE A 154 122.061 -2.773 7.114 1.00 0.00 H new ATOM 0 HZ PHE A 154 124.500 -2.494 6.781 1.00 0.00 H new ATOM 1946 N ARG A 155 121.864 -3.467 2.009 1.00 0.00 N ATOM 1947 CA ARG A 155 121.546 -4.918 1.885 1.00 0.00 C ATOM 1948 C ARG A 155 122.058 -5.675 3.122 1.00 0.00 C ATOM 1949 O ARG A 155 121.288 -6.046 3.996 1.00 0.00 O ATOM 1950 CB ARG A 155 122.268 -5.378 0.612 1.00 0.00 C ATOM 1951 CG ARG A 155 121.995 -6.865 0.367 1.00 0.00 C ATOM 1952 CD ARG A 155 123.216 -7.508 -0.300 1.00 0.00 C ATOM 1953 NE ARG A 155 123.012 -7.327 -1.772 1.00 0.00 N ATOM 1954 CZ ARG A 155 123.904 -7.761 -2.641 1.00 0.00 C ATOM 1955 NH1 ARG A 155 124.898 -8.537 -2.275 1.00 0.00 N ATOM 1956 NH2 ARG A 155 123.797 -7.415 -3.896 1.00 0.00 N ATOM 0 H ARG A 155 122.742 -3.258 2.484 1.00 0.00 H new ATOM 0 HA ARG A 155 120.475 -5.109 1.824 1.00 0.00 H new ATOM 0 HB2 ARG A 155 121.928 -4.791 -0.242 1.00 0.00 H new ATOM 0 HB3 ARG A 155 123.340 -5.207 0.710 1.00 0.00 H new ATOM 0 HG2 ARG A 155 121.778 -7.366 1.311 1.00 0.00 H new ATOM 0 HG3 ARG A 155 121.116 -6.984 -0.267 1.00 0.00 H new ATOM 0 HD2 ARG A 155 124.139 -7.031 0.029 1.00 0.00 H new ATOM 0 HD3 ARG A 155 123.293 -8.564 -0.042 1.00 0.00 H new ATOM 0 HE ARG A 155 122.170 -6.860 -2.108 1.00 0.00 H new ATOM 0 HH11 ARG A 155 124.993 -8.818 -1.299 1.00 0.00 H new ATOM 0 HH12 ARG A 155 125.575 -8.859 -2.967 1.00 0.00 H new ATOM 0 HH21 ARG A 155 123.029 -6.815 -4.196 1.00 0.00 H new ATOM 0 HH22 ARG A 155 124.482 -7.745 -4.576 1.00 0.00 H new ATOM 1970 N ALA A 156 123.347 -5.904 3.214 1.00 0.00 N ATOM 1971 CA ALA A 156 123.884 -6.636 4.398 1.00 0.00 C ATOM 1972 C ALA A 156 124.920 -5.799 5.145 1.00 0.00 C ATOM 1973 O ALA A 156 125.726 -5.103 4.556 1.00 0.00 O ATOM 1974 CB ALA A 156 124.534 -7.906 3.838 1.00 0.00 C ATOM 0 H ALA A 156 124.043 -5.617 2.525 1.00 0.00 H new ATOM 0 HA ALA A 156 123.092 -6.860 5.112 1.00 0.00 H new ATOM 0 HB1 ALA A 156 124.951 -8.493 4.657 1.00 0.00 H new ATOM 0 HB2 ALA A 156 123.784 -8.497 3.313 1.00 0.00 H new ATOM 0 HB3 ALA A 156 125.330 -7.632 3.146 1.00 0.00 H new ATOM 1980 N ALA A 157 124.907 -5.897 6.441 1.00 0.00 N ATOM 1981 CA ALA A 157 125.896 -5.147 7.278 1.00 0.00 C ATOM 1982 C ALA A 157 127.095 -6.059 7.556 1.00 0.00 C ATOM 1983 O ALA A 157 126.935 -7.194 7.955 1.00 0.00 O ATOM 1984 CB ALA A 157 125.154 -4.813 8.573 1.00 0.00 C ATOM 0 H ALA A 157 124.248 -6.470 6.968 1.00 0.00 H new ATOM 0 HA ALA A 157 126.270 -4.244 6.795 1.00 0.00 H new ATOM 0 HB1 ALA A 157 125.816 -4.261 9.240 1.00 0.00 H new ATOM 0 HB2 ALA A 157 124.279 -4.204 8.345 1.00 0.00 H new ATOM 0 HB3 ALA A 157 124.837 -5.736 9.059 1.00 0.00 H new ATOM 1990 N VAL A 158 128.287 -5.586 7.303 1.00 0.00 N ATOM 1991 CA VAL A 158 129.501 -6.449 7.500 1.00 0.00 C ATOM 1992 C VAL A 158 130.202 -6.136 8.824 1.00 0.00 C ATOM 1993 O VAL A 158 130.613 -5.016 9.065 1.00 0.00 O ATOM 1994 CB VAL A 158 130.456 -6.122 6.330 1.00 0.00 C ATOM 1995 CG1 VAL A 158 131.429 -7.295 6.121 1.00 0.00 C ATOM 1996 CG2 VAL A 158 129.675 -5.869 5.027 1.00 0.00 C ATOM 0 H VAL A 158 128.478 -4.641 6.969 1.00 0.00 H new ATOM 0 HA VAL A 158 129.216 -7.501 7.525 1.00 0.00 H new ATOM 0 HB VAL A 158 131.007 -5.216 6.582 1.00 0.00 H new ATOM 0 HG11 VAL A 158 132.103 -7.066 5.296 1.00 0.00 H new ATOM 0 HG12 VAL A 158 132.009 -7.453 7.030 1.00 0.00 H new ATOM 0 HG13 VAL A 158 130.865 -8.198 5.888 1.00 0.00 H new ATOM 0 HG21 VAL A 158 130.374 -5.641 4.222 1.00 0.00 H new ATOM 0 HG22 VAL A 158 129.101 -6.759 4.768 1.00 0.00 H new ATOM 0 HG23 VAL A 158 128.997 -5.027 5.167 1.00 0.00 H new ATOM 2006 N CYS A 159 130.366 -7.124 9.673 1.00 0.00 N ATOM 2007 CA CYS A 159 131.069 -6.883 10.970 1.00 0.00 C ATOM 2008 C CYS A 159 131.969 -8.076 11.325 1.00 0.00 C ATOM 2009 O CYS A 159 131.618 -9.218 11.096 1.00 0.00 O ATOM 2010 CB CYS A 159 129.956 -6.704 12.010 1.00 0.00 C ATOM 2011 SG CYS A 159 128.942 -8.202 12.110 1.00 0.00 S ATOM 0 H CYS A 159 130.045 -8.080 9.523 1.00 0.00 H new ATOM 0 HA CYS A 159 131.718 -6.009 10.926 1.00 0.00 H new ATOM 0 HB2 CYS A 159 130.392 -6.486 12.985 1.00 0.00 H new ATOM 0 HB3 CYS A 159 129.332 -5.851 11.742 1.00 0.00 H new ATOM 0 HG CYS A 159 129.637 -9.224 11.707 1.00 0.00 H new ATOM 2017 N THR A 160 133.120 -7.814 11.893 1.00 0.00 N ATOM 2018 CA THR A 160 134.042 -8.927 12.275 1.00 0.00 C ATOM 2019 C THR A 160 133.527 -9.617 13.543 1.00 0.00 C ATOM 2020 O THR A 160 133.543 -10.827 13.654 1.00 0.00 O ATOM 2021 CB THR A 160 135.395 -8.259 12.534 1.00 0.00 C ATOM 2022 OG1 THR A 160 135.807 -7.563 11.366 1.00 0.00 O ATOM 2023 CG2 THR A 160 136.434 -9.322 12.889 1.00 0.00 C ATOM 0 H THR A 160 133.461 -6.877 12.109 1.00 0.00 H new ATOM 0 HA THR A 160 134.114 -9.691 11.501 1.00 0.00 H new ATOM 0 HB THR A 160 135.301 -7.558 13.363 1.00 0.00 H new ATOM 0 HG1 THR A 160 136.786 -7.548 11.322 1.00 0.00 H new ATOM 0 HG21 THR A 160 137.396 -8.843 13.073 1.00 0.00 H new ATOM 0 HG22 THR A 160 136.117 -9.856 13.785 1.00 0.00 H new ATOM 0 HG23 THR A 160 136.531 -10.026 12.063 1.00 0.00 H new ATOM 2031 N ARG A 161 133.065 -8.846 14.494 1.00 0.00 N ATOM 2032 CA ARG A 161 132.535 -9.435 15.761 1.00 0.00 C ATOM 2033 C ARG A 161 131.324 -8.627 16.240 1.00 0.00 C ATOM 2034 O ARG A 161 131.252 -8.216 17.383 1.00 0.00 O ATOM 2035 CB ARG A 161 133.688 -9.346 16.767 1.00 0.00 C ATOM 2036 CG ARG A 161 134.108 -7.885 16.967 1.00 0.00 C ATOM 2037 CD ARG A 161 135.595 -7.823 17.332 1.00 0.00 C ATOM 2038 NE ARG A 161 135.624 -7.486 18.789 1.00 0.00 N ATOM 2039 CZ ARG A 161 136.639 -6.834 19.320 1.00 0.00 C ATOM 2040 NH1 ARG A 161 137.749 -6.628 18.649 1.00 0.00 N ATOM 2041 NH2 ARG A 161 136.540 -6.385 20.542 1.00 0.00 N ATOM 0 H ARG A 161 133.032 -7.828 14.447 1.00 0.00 H new ATOM 0 HA ARG A 161 132.202 -10.465 15.634 1.00 0.00 H new ATOM 0 HB2 ARG A 161 133.382 -9.777 17.720 1.00 0.00 H new ATOM 0 HB3 ARG A 161 134.537 -9.930 16.411 1.00 0.00 H new ATOM 0 HG2 ARG A 161 133.923 -7.315 16.057 1.00 0.00 H new ATOM 0 HG3 ARG A 161 133.510 -7.429 17.756 1.00 0.00 H new ATOM 0 HD2 ARG A 161 136.089 -8.775 17.138 1.00 0.00 H new ATOM 0 HD3 ARG A 161 136.115 -7.068 16.742 1.00 0.00 H new ATOM 0 HE ARG A 161 134.843 -7.766 19.383 1.00 0.00 H new ATOM 0 HH11 ARG A 161 137.840 -6.976 17.694 1.00 0.00 H new ATOM 0 HH12 ARG A 161 138.520 -6.120 19.082 1.00 0.00 H new ATOM 0 HH21 ARG A 161 135.684 -6.540 21.075 1.00 0.00 H new ATOM 0 HH22 ARG A 161 137.319 -5.879 20.964 1.00 0.00 H new ATOM 2055 N GLY A 162 130.384 -8.391 15.363 1.00 0.00 N ATOM 2056 CA GLY A 162 129.177 -7.598 15.738 1.00 0.00 C ATOM 2057 C GLY A 162 129.424 -6.106 15.470 1.00 0.00 C ATOM 2058 O GLY A 162 128.503 -5.313 15.489 1.00 0.00 O ATOM 0 H GLY A 162 130.401 -8.716 14.396 1.00 0.00 H new ATOM 0 HA2 GLY A 162 128.315 -7.941 15.166 1.00 0.00 H new ATOM 0 HA3 GLY A 162 128.943 -7.753 16.791 1.00 0.00 H new ATOM 2062 N VAL A 163 130.653 -5.716 15.203 1.00 0.00 N ATOM 2063 CA VAL A 163 130.941 -4.279 14.917 1.00 0.00 C ATOM 2064 C VAL A 163 130.907 -4.056 13.405 1.00 0.00 C ATOM 2065 O VAL A 163 131.654 -4.668 12.669 1.00 0.00 O ATOM 2066 CB VAL A 163 132.348 -4.031 15.470 1.00 0.00 C ATOM 2067 CG1 VAL A 163 132.748 -2.574 15.228 1.00 0.00 C ATOM 2068 CG2 VAL A 163 132.365 -4.315 16.975 1.00 0.00 C ATOM 0 H VAL A 163 131.464 -6.334 15.172 1.00 0.00 H new ATOM 0 HA VAL A 163 130.215 -3.603 15.368 1.00 0.00 H new ATOM 0 HB VAL A 163 133.053 -4.691 14.964 1.00 0.00 H new ATOM 0 HG11 VAL A 163 133.749 -2.401 15.623 1.00 0.00 H new ATOM 0 HG12 VAL A 163 132.739 -2.367 14.158 1.00 0.00 H new ATOM 0 HG13 VAL A 163 132.041 -1.914 15.731 1.00 0.00 H new ATOM 0 HG21 VAL A 163 133.366 -4.138 17.367 1.00 0.00 H new ATOM 0 HG22 VAL A 163 131.657 -3.656 17.478 1.00 0.00 H new ATOM 0 HG23 VAL A 163 132.084 -5.353 17.153 1.00 0.00 H new ATOM 2078 N ALA A 164 130.040 -3.196 12.938 1.00 0.00 N ATOM 2079 CA ALA A 164 129.941 -2.947 11.469 1.00 0.00 C ATOM 2080 C ALA A 164 130.925 -1.863 11.029 1.00 0.00 C ATOM 2081 O ALA A 164 130.796 -0.708 11.389 1.00 0.00 O ATOM 2082 CB ALA A 164 128.501 -2.484 11.245 1.00 0.00 C ATOM 0 H ALA A 164 129.394 -2.654 13.512 1.00 0.00 H new ATOM 0 HA ALA A 164 130.185 -3.838 10.890 1.00 0.00 H new ATOM 0 HB1 ALA A 164 128.345 -2.279 10.186 1.00 0.00 H new ATOM 0 HB2 ALA A 164 127.813 -3.265 11.569 1.00 0.00 H new ATOM 0 HB3 ALA A 164 128.317 -1.577 11.821 1.00 0.00 H new ATOM 2088 N LYS A 165 131.900 -2.233 10.239 1.00 0.00 N ATOM 2089 CA LYS A 165 132.897 -1.240 9.749 1.00 0.00 C ATOM 2090 C LYS A 165 132.695 -1.004 8.248 1.00 0.00 C ATOM 2091 O LYS A 165 132.959 0.067 7.737 1.00 0.00 O ATOM 2092 CB LYS A 165 134.261 -1.878 10.017 1.00 0.00 C ATOM 2093 CG LYS A 165 134.497 -1.955 11.527 1.00 0.00 C ATOM 2094 CD LYS A 165 135.861 -2.593 11.801 1.00 0.00 C ATOM 2095 CE LYS A 165 135.781 -4.100 11.548 1.00 0.00 C ATOM 2096 NZ LYS A 165 137.058 -4.647 12.086 1.00 0.00 N ATOM 0 H LYS A 165 132.047 -3.188 9.911 1.00 0.00 H new ATOM 0 HA LYS A 165 132.802 -0.273 10.243 1.00 0.00 H new ATOM 0 HB2 LYS A 165 134.300 -2.876 9.580 1.00 0.00 H new ATOM 0 HB3 LYS A 165 135.049 -1.292 9.544 1.00 0.00 H new ATOM 0 HG2 LYS A 165 134.457 -0.957 11.963 1.00 0.00 H new ATOM 0 HG3 LYS A 165 133.709 -2.541 11.999 1.00 0.00 H new ATOM 0 HD2 LYS A 165 136.619 -2.146 11.158 1.00 0.00 H new ATOM 0 HD3 LYS A 165 136.163 -2.402 12.831 1.00 0.00 H new ATOM 0 HE2 LYS A 165 134.920 -4.540 12.051 1.00 0.00 H new ATOM 0 HE3 LYS A 165 135.675 -4.317 10.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 137.050 -5.684 12.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 137.856 -4.266 11.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 137.160 -4.373 13.084 1.00 0.00 H new ATOM 2110 N ALA A 166 132.218 -2.002 7.547 1.00 0.00 N ATOM 2111 CA ALA A 166 131.982 -1.853 6.080 1.00 0.00 C ATOM 2112 C ALA A 166 130.489 -2.001 5.777 1.00 0.00 C ATOM 2113 O ALA A 166 129.715 -2.410 6.622 1.00 0.00 O ATOM 2114 CB ALA A 166 132.781 -2.982 5.428 1.00 0.00 C ATOM 0 H ALA A 166 131.981 -2.917 7.930 1.00 0.00 H new ATOM 0 HA ALA A 166 132.290 -0.877 5.706 1.00 0.00 H new ATOM 0 HB1 ALA A 166 132.657 -2.938 4.346 1.00 0.00 H new ATOM 0 HB2 ALA A 166 133.836 -2.872 5.677 1.00 0.00 H new ATOM 0 HB3 ALA A 166 132.420 -3.943 5.796 1.00 0.00 H new ATOM 2120 N VAL A 167 130.081 -1.667 4.580 1.00 0.00 N ATOM 2121 CA VAL A 167 128.634 -1.781 4.217 1.00 0.00 C ATOM 2122 C VAL A 167 128.471 -2.191 2.748 1.00 0.00 C ATOM 2123 O VAL A 167 129.099 -1.634 1.867 1.00 0.00 O ATOM 2124 CB VAL A 167 128.044 -0.382 4.455 1.00 0.00 C ATOM 2125 CG1 VAL A 167 128.187 -0.010 5.933 1.00 0.00 C ATOM 2126 CG2 VAL A 167 128.781 0.655 3.595 1.00 0.00 C ATOM 0 H VAL A 167 130.687 -1.320 3.837 1.00 0.00 H new ATOM 0 HA VAL A 167 128.129 -2.543 4.811 1.00 0.00 H new ATOM 0 HB VAL A 167 126.990 -0.391 4.179 1.00 0.00 H new ATOM 0 HG11 VAL A 167 127.768 0.982 6.101 1.00 0.00 H new ATOM 0 HG12 VAL A 167 127.653 -0.737 6.545 1.00 0.00 H new ATOM 0 HG13 VAL A 167 129.242 -0.010 6.208 1.00 0.00 H new ATOM 0 HG21 VAL A 167 128.355 1.643 3.771 1.00 0.00 H new ATOM 0 HG22 VAL A 167 129.838 0.663 3.861 1.00 0.00 H new ATOM 0 HG23 VAL A 167 128.674 0.396 2.542 1.00 0.00 H new ATOM 2136 N ASP A 168 127.627 -3.157 2.483 1.00 0.00 N ATOM 2137 CA ASP A 168 127.408 -3.608 1.074 1.00 0.00 C ATOM 2138 C ASP A 168 126.035 -3.141 0.574 1.00 0.00 C ATOM 2139 O ASP A 168 125.034 -3.302 1.247 1.00 0.00 O ATOM 2140 CB ASP A 168 127.466 -5.132 1.132 1.00 0.00 C ATOM 2141 CG ASP A 168 127.828 -5.682 -0.249 1.00 0.00 C ATOM 2142 OD1 ASP A 168 128.911 -6.227 -0.383 1.00 0.00 O ATOM 2143 OD2 ASP A 168 127.016 -5.548 -1.149 1.00 0.00 O ATOM 0 H ASP A 168 127.078 -3.654 3.184 1.00 0.00 H new ATOM 0 HA ASP A 168 128.151 -3.198 0.390 1.00 0.00 H new ATOM 0 HB2 ASP A 168 128.205 -5.451 1.867 1.00 0.00 H new ATOM 0 HB3 ASP A 168 126.504 -5.531 1.453 1.00 0.00 H new ATOM 2148 N PHE A 169 125.989 -2.565 -0.602 1.00 0.00 N ATOM 2149 CA PHE A 169 124.690 -2.078 -1.161 1.00 0.00 C ATOM 2150 C PHE A 169 124.500 -2.587 -2.597 1.00 0.00 C ATOM 2151 O PHE A 169 125.445 -2.983 -3.252 1.00 0.00 O ATOM 2152 CB PHE A 169 124.794 -0.546 -1.136 1.00 0.00 C ATOM 2153 CG PHE A 169 125.979 -0.090 -1.961 1.00 0.00 C ATOM 2154 CD1 PHE A 169 125.822 0.175 -3.326 1.00 0.00 C ATOM 2155 CD2 PHE A 169 127.233 0.069 -1.358 1.00 0.00 C ATOM 2156 CE1 PHE A 169 126.916 0.598 -4.089 1.00 0.00 C ATOM 2157 CE2 PHE A 169 128.328 0.492 -2.121 1.00 0.00 C ATOM 2158 CZ PHE A 169 128.170 0.757 -3.486 1.00 0.00 C ATOM 0 H PHE A 169 126.800 -2.411 -1.202 1.00 0.00 H new ATOM 0 HA PHE A 169 123.835 -2.436 -0.587 1.00 0.00 H new ATOM 0 HB2 PHE A 169 123.877 -0.105 -1.528 1.00 0.00 H new ATOM 0 HB3 PHE A 169 124.901 -0.198 -0.109 1.00 0.00 H new ATOM 0 HD1 PHE A 169 124.855 0.053 -3.791 1.00 0.00 H new ATOM 0 HD2 PHE A 169 127.355 -0.135 -0.304 1.00 0.00 H new ATOM 0 HE1 PHE A 169 126.793 0.802 -5.142 1.00 0.00 H new ATOM 0 HE2 PHE A 169 129.295 0.614 -1.656 1.00 0.00 H new ATOM 0 HZ PHE A 169 129.015 1.084 -4.074 1.00 0.00 H new ATOM 2168 N VAL A 170 123.283 -2.577 -3.086 1.00 0.00 N ATOM 2169 CA VAL A 170 123.026 -3.060 -4.481 1.00 0.00 C ATOM 2170 C VAL A 170 122.993 -1.866 -5.453 1.00 0.00 C ATOM 2171 O VAL A 170 122.480 -0.819 -5.112 1.00 0.00 O ATOM 2172 CB VAL A 170 121.649 -3.739 -4.448 1.00 0.00 C ATOM 2173 CG1 VAL A 170 121.397 -4.427 -5.791 1.00 0.00 C ATOM 2174 CG2 VAL A 170 121.593 -4.791 -3.334 1.00 0.00 C ATOM 0 H VAL A 170 122.457 -2.256 -2.581 1.00 0.00 H new ATOM 0 HA VAL A 170 123.805 -3.744 -4.816 1.00 0.00 H new ATOM 0 HB VAL A 170 120.889 -2.981 -4.259 1.00 0.00 H new ATOM 0 HG11 VAL A 170 120.421 -4.911 -5.774 1.00 0.00 H new ATOM 0 HG12 VAL A 170 121.421 -3.686 -6.590 1.00 0.00 H new ATOM 0 HG13 VAL A 170 122.170 -5.175 -5.967 1.00 0.00 H new ATOM 0 HG21 VAL A 170 120.610 -5.261 -3.327 1.00 0.00 H new ATOM 0 HG22 VAL A 170 122.356 -5.549 -3.511 1.00 0.00 H new ATOM 0 HG23 VAL A 170 121.773 -4.312 -2.372 1.00 0.00 H new ATOM 2184 N PRO A 171 123.531 -2.054 -6.642 1.00 0.00 N ATOM 2185 CA PRO A 171 123.531 -0.956 -7.643 1.00 0.00 C ATOM 2186 C PRO A 171 122.129 -0.785 -8.241 1.00 0.00 C ATOM 2187 O PRO A 171 121.306 -1.678 -8.174 1.00 0.00 O ATOM 2188 CB PRO A 171 124.520 -1.434 -8.702 1.00 0.00 C ATOM 2189 CG PRO A 171 124.527 -2.925 -8.589 1.00 0.00 C ATOM 2190 CD PRO A 171 124.181 -3.269 -7.163 1.00 0.00 C ATOM 0 HA PRO A 171 123.804 0.011 -7.221 1.00 0.00 H new ATOM 0 HB2 PRO A 171 124.214 -1.116 -9.699 1.00 0.00 H new ATOM 0 HB3 PRO A 171 125.514 -1.021 -8.527 1.00 0.00 H new ATOM 0 HG2 PRO A 171 123.805 -3.366 -9.276 1.00 0.00 H new ATOM 0 HG3 PRO A 171 125.505 -3.326 -8.854 1.00 0.00 H new ATOM 0 HD2 PRO A 171 123.514 -4.130 -7.112 1.00 0.00 H new ATOM 0 HD3 PRO A 171 125.072 -3.521 -6.588 1.00 0.00 H new ATOM 2198 N VAL A 172 121.852 0.358 -8.818 1.00 0.00 N ATOM 2199 CA VAL A 172 120.500 0.597 -9.415 1.00 0.00 C ATOM 2200 C VAL A 172 120.453 0.106 -10.870 1.00 0.00 C ATOM 2201 O VAL A 172 119.406 -0.261 -11.370 1.00 0.00 O ATOM 2202 CB VAL A 172 120.295 2.116 -9.350 1.00 0.00 C ATOM 2203 CG1 VAL A 172 118.935 2.486 -9.950 1.00 0.00 C ATOM 2204 CG2 VAL A 172 120.338 2.574 -7.890 1.00 0.00 C ATOM 0 H VAL A 172 122.504 1.138 -8.902 1.00 0.00 H new ATOM 0 HA VAL A 172 119.719 0.057 -8.880 1.00 0.00 H new ATOM 0 HB VAL A 172 121.087 2.606 -9.917 1.00 0.00 H new ATOM 0 HG11 VAL A 172 118.797 3.566 -9.900 1.00 0.00 H new ATOM 0 HG12 VAL A 172 118.896 2.163 -10.990 1.00 0.00 H new ATOM 0 HG13 VAL A 172 118.143 1.993 -9.387 1.00 0.00 H new ATOM 0 HG21 VAL A 172 120.192 3.653 -7.843 1.00 0.00 H new ATOM 0 HG22 VAL A 172 119.547 2.076 -7.329 1.00 0.00 H new ATOM 0 HG23 VAL A 172 121.305 2.319 -7.457 1.00 0.00 H new ATOM 2214 N GLU A 173 121.572 0.106 -11.553 1.00 0.00 N ATOM 2215 CA GLU A 173 121.582 -0.351 -12.981 1.00 0.00 C ATOM 2216 C GLU A 173 121.080 -1.796 -13.089 1.00 0.00 C ATOM 2217 O GLU A 173 120.526 -2.193 -14.097 1.00 0.00 O ATOM 2218 CB GLU A 173 123.043 -0.245 -13.439 1.00 0.00 C ATOM 2219 CG GLU A 173 123.936 -1.117 -12.563 1.00 0.00 C ATOM 2220 CD GLU A 173 125.326 -1.221 -13.191 1.00 0.00 C ATOM 2221 OE1 GLU A 173 125.488 -2.026 -14.094 1.00 0.00 O ATOM 2222 OE2 GLU A 173 126.207 -0.497 -12.758 1.00 0.00 O ATOM 0 H GLU A 173 122.477 0.401 -11.186 1.00 0.00 H new ATOM 0 HA GLU A 173 120.923 0.255 -13.603 1.00 0.00 H new ATOM 0 HB2 GLU A 173 123.128 -0.556 -14.480 1.00 0.00 H new ATOM 0 HB3 GLU A 173 123.373 0.793 -13.388 1.00 0.00 H new ATOM 0 HG2 GLU A 173 124.009 -0.691 -11.562 1.00 0.00 H new ATOM 0 HG3 GLU A 173 123.499 -2.110 -12.455 1.00 0.00 H new ATOM 2229 N SER A 174 121.270 -2.581 -12.059 1.00 0.00 N ATOM 2230 CA SER A 174 120.806 -4.003 -12.098 1.00 0.00 C ATOM 2231 C SER A 174 119.276 -4.063 -12.107 1.00 0.00 C ATOM 2232 O SER A 174 118.688 -4.992 -12.629 1.00 0.00 O ATOM 2233 CB SER A 174 121.356 -4.643 -10.823 1.00 0.00 C ATOM 2234 OG SER A 174 122.771 -4.740 -10.920 1.00 0.00 O ATOM 0 H SER A 174 121.727 -2.299 -11.192 1.00 0.00 H new ATOM 0 HA SER A 174 121.151 -4.519 -12.994 1.00 0.00 H new ATOM 0 HB2 SER A 174 121.079 -4.046 -9.954 1.00 0.00 H new ATOM 0 HB3 SER A 174 120.921 -5.632 -10.682 1.00 0.00 H new ATOM 0 HG SER A 174 123.113 -5.288 -10.183 1.00 0.00 H new ATOM 2240 N MET A 175 118.630 -3.082 -11.531 1.00 0.00 N ATOM 2241 CA MET A 175 117.133 -3.079 -11.500 1.00 0.00 C ATOM 2242 C MET A 175 116.567 -3.072 -12.923 1.00 0.00 C ATOM 2243 O MET A 175 115.490 -3.579 -13.172 1.00 0.00 O ATOM 2244 CB MET A 175 116.744 -1.796 -10.763 1.00 0.00 C ATOM 2245 CG MET A 175 117.112 -1.924 -9.285 1.00 0.00 C ATOM 2246 SD MET A 175 116.662 -0.400 -8.419 1.00 0.00 S ATOM 2247 CE MET A 175 116.943 -1.005 -6.737 1.00 0.00 C ATOM 0 H MET A 175 119.073 -2.282 -11.080 1.00 0.00 H new ATOM 0 HA MET A 175 116.737 -3.966 -11.006 1.00 0.00 H new ATOM 0 HB2 MET A 175 117.257 -0.941 -11.204 1.00 0.00 H new ATOM 0 HB3 MET A 175 115.674 -1.614 -10.868 1.00 0.00 H new ATOM 0 HG2 MET A 175 116.593 -2.774 -8.842 1.00 0.00 H new ATOM 0 HG3 MET A 175 118.180 -2.113 -9.180 1.00 0.00 H new ATOM 0 HE1 MET A 175 116.722 -0.211 -6.023 1.00 0.00 H new ATOM 0 HE2 MET A 175 116.293 -1.858 -6.544 1.00 0.00 H new ATOM 0 HE3 MET A 175 117.984 -1.310 -6.629 1.00 0.00 H new ATOM 2257 N GLU A 176 117.285 -2.498 -13.857 1.00 0.00 N ATOM 2258 CA GLU A 176 116.788 -2.451 -15.269 1.00 0.00 C ATOM 2259 C GLU A 176 116.582 -3.872 -15.805 1.00 0.00 C ATOM 2260 O GLU A 176 115.609 -4.152 -16.482 1.00 0.00 O ATOM 2261 CB GLU A 176 117.885 -1.735 -16.060 1.00 0.00 C ATOM 2262 CG GLU A 176 117.364 -1.389 -17.456 1.00 0.00 C ATOM 2263 CD GLU A 176 118.299 -0.373 -18.113 1.00 0.00 C ATOM 2264 OE1 GLU A 176 117.948 0.796 -18.137 1.00 0.00 O ATOM 2265 OE2 GLU A 176 119.349 -0.779 -18.583 1.00 0.00 O ATOM 0 H GLU A 176 118.193 -2.060 -13.704 1.00 0.00 H new ATOM 0 HA GLU A 176 115.830 -1.937 -15.349 1.00 0.00 H new ATOM 0 HB2 GLU A 176 118.191 -0.828 -15.539 1.00 0.00 H new ATOM 0 HB3 GLU A 176 118.767 -2.371 -16.137 1.00 0.00 H new ATOM 0 HG2 GLU A 176 117.303 -2.290 -18.066 1.00 0.00 H new ATOM 0 HG3 GLU A 176 116.356 -0.980 -17.388 1.00 0.00 H new ATOM 2272 N THR A 177 117.487 -4.768 -15.503 1.00 0.00 N ATOM 2273 CA THR A 177 117.347 -6.175 -15.989 1.00 0.00 C ATOM 2274 C THR A 177 116.189 -6.869 -15.263 1.00 0.00 C ATOM 2275 O THR A 177 115.418 -7.598 -15.860 1.00 0.00 O ATOM 2276 CB THR A 177 118.679 -6.851 -15.649 1.00 0.00 C ATOM 2277 OG1 THR A 177 119.738 -6.156 -16.293 1.00 0.00 O ATOM 2278 CG2 THR A 177 118.660 -8.304 -16.129 1.00 0.00 C ATOM 0 H THR A 177 118.318 -4.586 -14.940 1.00 0.00 H new ATOM 0 HA THR A 177 117.130 -6.224 -17.056 1.00 0.00 H new ATOM 0 HB THR A 177 118.828 -6.830 -14.569 1.00 0.00 H new ATOM 0 HG1 THR A 177 120.591 -6.586 -16.075 1.00 0.00 H new ATOM 0 HG21 THR A 177 119.610 -8.780 -15.885 1.00 0.00 H new ATOM 0 HG22 THR A 177 117.848 -8.839 -15.636 1.00 0.00 H new ATOM 0 HG23 THR A 177 118.509 -8.329 -17.208 1.00 0.00 H new ATOM 2286 N THR A 178 116.066 -6.644 -13.979 1.00 0.00 N ATOM 2287 CA THR A 178 114.960 -7.286 -13.201 1.00 0.00 C ATOM 2288 C THR A 178 113.613 -6.673 -13.597 1.00 0.00 C ATOM 2289 O THR A 178 112.619 -7.365 -13.716 1.00 0.00 O ATOM 2290 CB THR A 178 115.277 -6.990 -11.732 1.00 0.00 C ATOM 2291 OG1 THR A 178 116.561 -7.508 -11.413 1.00 0.00 O ATOM 2292 CG2 THR A 178 114.226 -7.648 -10.836 1.00 0.00 C ATOM 0 H THR A 178 116.684 -6.043 -13.434 1.00 0.00 H new ATOM 0 HA THR A 178 114.890 -8.357 -13.390 1.00 0.00 H new ATOM 0 HB THR A 178 115.266 -5.912 -11.570 1.00 0.00 H new ATOM 0 HG1 THR A 178 116.766 -7.318 -10.474 1.00 0.00 H new ATOM 0 HG21 THR A 178 114.454 -7.436 -9.791 1.00 0.00 H new ATOM 0 HG22 THR A 178 113.240 -7.252 -11.080 1.00 0.00 H new ATOM 0 HG23 THR A 178 114.234 -8.726 -10.997 1.00 0.00 H new ATOM 2300 N MET A 179 113.576 -5.379 -13.797 1.00 0.00 N ATOM 2301 CA MET A 179 112.294 -4.710 -14.184 1.00 0.00 C ATOM 2302 C MET A 179 111.774 -5.287 -15.504 1.00 0.00 C ATOM 2303 O MET A 179 110.587 -5.496 -15.674 1.00 0.00 O ATOM 2304 CB MET A 179 112.642 -3.229 -14.351 1.00 0.00 C ATOM 2305 CG MET A 179 111.364 -2.389 -14.278 1.00 0.00 C ATOM 2306 SD MET A 179 110.552 -2.381 -15.896 1.00 0.00 S ATOM 2307 CE MET A 179 111.176 -0.778 -16.455 1.00 0.00 C ATOM 0 H MET A 179 114.379 -4.756 -13.709 1.00 0.00 H new ATOM 0 HA MET A 179 111.514 -4.861 -13.438 1.00 0.00 H new ATOM 0 HB2 MET A 179 113.338 -2.919 -13.572 1.00 0.00 H new ATOM 0 HB3 MET A 179 113.141 -3.068 -15.307 1.00 0.00 H new ATOM 0 HG2 MET A 179 110.691 -2.797 -13.524 1.00 0.00 H new ATOM 0 HG3 MET A 179 111.603 -1.370 -13.974 1.00 0.00 H new ATOM 0 HE1 MET A 179 110.792 -0.566 -17.453 1.00 0.00 H new ATOM 0 HE2 MET A 179 110.847 0.001 -15.767 1.00 0.00 H new ATOM 0 HE3 MET A 179 112.265 -0.801 -16.483 1.00 0.00 H new ATOM 2317 N ARG A 180 112.656 -5.545 -16.435 1.00 0.00 N ATOM 2318 CA ARG A 180 112.222 -6.110 -17.752 1.00 0.00 C ATOM 2319 C ARG A 180 111.522 -7.459 -17.546 1.00 0.00 C ATOM 2320 O ARG A 180 110.538 -7.761 -18.195 1.00 0.00 O ATOM 2321 CB ARG A 180 113.511 -6.291 -18.560 1.00 0.00 C ATOM 2322 CG ARG A 180 113.173 -6.495 -20.044 1.00 0.00 C ATOM 2323 CD ARG A 180 113.507 -7.930 -20.463 1.00 0.00 C ATOM 2324 NE ARG A 180 114.819 -7.833 -21.161 1.00 0.00 N ATOM 2325 CZ ARG A 180 115.888 -8.349 -20.618 1.00 0.00 C ATOM 2326 NH1 ARG A 180 116.044 -9.644 -20.590 1.00 0.00 N ATOM 2327 NH2 ARG A 180 116.800 -7.571 -20.104 1.00 0.00 N ATOM 0 H ARG A 180 113.660 -5.389 -16.342 1.00 0.00 H new ATOM 0 HA ARG A 180 111.513 -5.458 -18.263 1.00 0.00 H new ATOM 0 HB2 ARG A 180 114.151 -5.417 -18.441 1.00 0.00 H new ATOM 0 HB3 ARG A 180 114.069 -7.148 -18.184 1.00 0.00 H new ATOM 0 HG2 ARG A 180 112.116 -6.294 -20.216 1.00 0.00 H new ATOM 0 HG3 ARG A 180 113.735 -5.789 -20.654 1.00 0.00 H new ATOM 0 HD2 ARG A 180 113.568 -8.590 -19.597 1.00 0.00 H new ATOM 0 HD3 ARG A 180 112.739 -8.338 -21.121 1.00 0.00 H new ATOM 0 HE ARG A 180 114.882 -7.363 -22.064 1.00 0.00 H new ATOM 0 HH11 ARG A 180 115.331 -10.252 -20.992 1.00 0.00 H new ATOM 0 HH12 ARG A 180 116.879 -10.048 -20.166 1.00 0.00 H new ATOM 0 HH21 ARG A 180 116.678 -6.559 -20.126 1.00 0.00 H new ATOM 0 HH22 ARG A 180 117.635 -7.975 -19.680 1.00 0.00 H new ATOM 2341 N ALA A 181 112.028 -8.267 -16.650 1.00 0.00 N ATOM 2342 CA ALA A 181 111.401 -9.601 -16.395 1.00 0.00 C ATOM 2343 C ALA A 181 110.135 -9.438 -15.547 1.00 0.00 C ATOM 2344 O ALA A 181 109.391 -8.490 -15.698 1.00 0.00 O ATOM 2345 CB ALA A 181 112.456 -10.401 -15.631 1.00 0.00 C ATOM 0 H ALA A 181 112.850 -8.061 -16.082 1.00 0.00 H new ATOM 0 HA ALA A 181 111.105 -10.098 -17.319 1.00 0.00 H new ATOM 0 HB1 ALA A 181 112.068 -11.395 -15.407 1.00 0.00 H new ATOM 0 HB2 ALA A 181 113.356 -10.491 -16.240 1.00 0.00 H new ATOM 0 HB3 ALA A 181 112.698 -9.888 -14.700 1.00 0.00 H new