USER MOD reduce.3.24.130724 H: found=0, std=0, add=1020, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1017 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 160 THR OG1 : rot 180:sc= 0.116 USER MOD Set 1.2: A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 97 CYS SG : rot -164:sc= 1.29 USER MOD Set 2.2: A 99 CYS SG : rot -84:sc= 0.442 USER MOD Set 2.3: A 145 CYS SG : rot -139:sc= -0.92 USER MOD Set 3.1: A 73 GLN :FLIP amide:sc= 0.633 F(o=-2.9,f=1.2) USER MOD Set 3.2: A 76 THR OG1 : rot -156:sc= 0.555 USER MOD Set 4.1: A 57 HIS : no HE2:sc= -5.86! C(o=-5.9!,f=-9!) USER MOD Set 4.2: A 139 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 37 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 42 SER OG : rot 10:sc= 0.114 USER MOD Single : A 34 GLN : amide:sc= -1.66 K(o=-1.7,f=-2.7!) USER MOD Single : A 38 THR OG1 : rot 85:sc= -0.0565 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 CYS SG : rot 33:sc= 0.569 USER MOD Single : A 49 ASN : amide:sc= -0.199 X(o=-0.2,f=-0.046) USER MOD Single : A 52 CYS SG : rot 180:sc= -0.0137 USER MOD Single : A 54 THR OG1 : rot -179:sc= 0.308 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0029 USER MOD Single : A 72 THR OG1 : rot 43:sc= 0.38 USER MOD Single : A 74 MET CE :methyl 167:sc= -2.66! (180deg=-2.85) USER MOD Single : A 75 TYR OH : rot -165:sc= -1.04 USER MOD Single : A 77 ASN : amide:sc= -0.73 K(o=-0.73,f=-11!) USER MOD Single : A 80 GLN : amide:sc= -0.428 K(o=-0.43,f=-3.6!) USER MOD Single : A 86 GLN : amide:sc= -0.196 K(o=-0.2,f=-1.6!) USER MOD Single : A 93 SER OG : rot -120:sc= 0.059 USER MOD Single : A 95 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0033 USER MOD Single : A 101 SER OG : rot -102:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot -45:sc= -0.781! USER MOD Single : A 110 HIS : no HD1:sc= -0.0526 X(o=-0.053,f=-0.0082) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= -0.831 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 -93:sc= 1.05 USER MOD Single : A 147 SER OG : rot 180:sc=-0.00381 USER MOD Single : A 149 HIS : no HD1:sc= -4.09 K(o=-4.1,f=-4.7!) USER MOD Single : A 159 CYS SG : rot 20:sc= -2.35! USER MOD Single : A 174 SER OG : rot -160:sc= -0.987 USER MOD Single : A 175 MET CE :methyl 171:sc= -2.85! (180deg=-3.19!) 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 -149:sc= 0 (180deg=-0.0128) USER MOD ----------------------------------------------------------------- ATOM 149 N GLU A 32 110.742 11.069 0.404 1.00 0.00 N ATOM 150 CA GLU A 32 110.973 10.075 -0.689 1.00 0.00 C ATOM 151 C GLU A 32 111.159 8.667 -0.108 1.00 0.00 C ATOM 152 O GLU A 32 110.949 7.678 -0.786 1.00 0.00 O ATOM 153 CB GLU A 32 112.250 10.544 -1.390 1.00 0.00 C ATOM 154 CG GLU A 32 112.018 11.934 -1.986 1.00 0.00 C ATOM 155 CD GLU A 32 113.260 12.373 -2.762 1.00 0.00 C ATOM 156 OE1 GLU A 32 114.301 12.518 -2.143 1.00 0.00 O ATOM 157 OE2 GLU A 32 113.148 12.561 -3.963 1.00 0.00 O ATOM 0 HA GLU A 32 110.128 10.018 -1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 32 113.078 10.573 -0.682 1.00 0.00 H new ATOM 0 HB3 GLU A 32 112.527 9.841 -2.175 1.00 0.00 H new ATOM 0 HG2 GLU A 32 111.151 11.917 -2.647 1.00 0.00 H new ATOM 0 HG3 GLU A 32 111.801 12.649 -1.193 1.00 0.00 H new ATOM 164 N VAL A 33 111.553 8.570 1.138 1.00 0.00 N ATOM 165 CA VAL A 33 111.754 7.225 1.764 1.00 0.00 C ATOM 166 C VAL A 33 110.559 6.880 2.658 1.00 0.00 C ATOM 167 O VAL A 33 110.206 7.628 3.551 1.00 0.00 O ATOM 168 CB VAL A 33 113.034 7.360 2.599 1.00 0.00 C ATOM 169 CG1 VAL A 33 113.349 6.027 3.281 1.00 0.00 C ATOM 170 CG2 VAL A 33 114.203 7.748 1.688 1.00 0.00 C ATOM 0 H VAL A 33 111.744 9.364 1.749 1.00 0.00 H new ATOM 0 HA VAL A 33 111.838 6.430 1.023 1.00 0.00 H new ATOM 0 HB VAL A 33 112.887 8.131 3.356 1.00 0.00 H new ATOM 0 HG11 VAL A 33 114.259 6.127 3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 33 112.521 5.747 3.932 1.00 0.00 H new ATOM 0 HG13 VAL A 33 113.492 5.256 2.524 1.00 0.00 H new ATOM 0 HG21 VAL A 33 115.112 7.844 2.283 1.00 0.00 H new ATOM 0 HG22 VAL A 33 114.345 6.978 0.930 1.00 0.00 H new ATOM 0 HG23 VAL A 33 113.986 8.699 1.202 1.00 0.00 H new ATOM 180 N GLN A 34 109.937 5.752 2.424 1.00 0.00 N ATOM 181 CA GLN A 34 108.764 5.350 3.256 1.00 0.00 C ATOM 182 C GLN A 34 109.163 4.250 4.243 1.00 0.00 C ATOM 183 O GLN A 34 109.795 3.277 3.877 1.00 0.00 O ATOM 184 CB GLN A 34 107.730 4.824 2.259 1.00 0.00 C ATOM 185 CG GLN A 34 107.171 5.987 1.437 1.00 0.00 C ATOM 186 CD GLN A 34 108.130 6.311 0.291 1.00 0.00 C ATOM 187 OE1 GLN A 34 108.713 5.423 -0.298 1.00 0.00 O ATOM 188 NE2 GLN A 34 108.318 7.555 -0.053 1.00 0.00 N ATOM 0 H GLN A 34 110.192 5.091 1.690 1.00 0.00 H new ATOM 0 HA GLN A 34 108.377 6.180 3.847 1.00 0.00 H new ATOM 0 HB2 GLN A 34 108.188 4.087 1.600 1.00 0.00 H new ATOM 0 HB3 GLN A 34 106.923 4.319 2.789 1.00 0.00 H new ATOM 0 HG2 GLN A 34 106.189 5.727 1.041 1.00 0.00 H new ATOM 0 HG3 GLN A 34 107.037 6.863 2.072 1.00 0.00 H new ATOM 0 HE21 GLN A 34 107.828 8.301 0.442 1.00 0.00 H new ATOM 0 HE22 GLN A 34 108.955 7.782 -0.817 1.00 0.00 H new ATOM 197 N VAL A 35 108.796 4.401 5.490 1.00 0.00 N ATOM 198 CA VAL A 35 109.148 3.366 6.511 1.00 0.00 C ATOM 199 C VAL A 35 107.987 2.377 6.682 1.00 0.00 C ATOM 200 O VAL A 35 106.851 2.768 6.865 1.00 0.00 O ATOM 201 CB VAL A 35 109.405 4.145 7.810 1.00 0.00 C ATOM 202 CG1 VAL A 35 110.552 5.137 7.592 1.00 0.00 C ATOM 203 CG2 VAL A 35 108.138 4.908 8.237 1.00 0.00 C ATOM 0 H VAL A 35 108.267 5.197 5.846 1.00 0.00 H new ATOM 0 HA VAL A 35 110.020 2.780 6.221 1.00 0.00 H new ATOM 0 HB VAL A 35 109.673 3.440 8.597 1.00 0.00 H new ATOM 0 HG11 VAL A 35 110.735 5.690 8.513 1.00 0.00 H new ATOM 0 HG12 VAL A 35 111.454 4.594 7.310 1.00 0.00 H new ATOM 0 HG13 VAL A 35 110.284 5.834 6.798 1.00 0.00 H new ATOM 0 HG21 VAL A 35 108.336 5.455 9.159 1.00 0.00 H new ATOM 0 HG22 VAL A 35 107.854 5.610 7.453 1.00 0.00 H new ATOM 0 HG23 VAL A 35 107.326 4.200 8.402 1.00 0.00 H new ATOM 213 N VAL A 36 108.266 1.098 6.618 1.00 0.00 N ATOM 214 CA VAL A 36 107.178 0.083 6.772 1.00 0.00 C ATOM 215 C VAL A 36 107.569 -0.981 7.805 1.00 0.00 C ATOM 216 O VAL A 36 108.732 -1.166 8.112 1.00 0.00 O ATOM 217 CB VAL A 36 107.013 -0.545 5.383 1.00 0.00 C ATOM 218 CG1 VAL A 36 106.606 0.537 4.380 1.00 0.00 C ATOM 219 CG2 VAL A 36 108.335 -1.179 4.934 1.00 0.00 C ATOM 0 H VAL A 36 109.199 0.714 6.466 1.00 0.00 H new ATOM 0 HA VAL A 36 106.251 0.533 7.127 1.00 0.00 H new ATOM 0 HB VAL A 36 106.243 -1.315 5.429 1.00 0.00 H new ATOM 0 HG11 VAL A 36 106.488 0.092 3.392 1.00 0.00 H new ATOM 0 HG12 VAL A 36 105.662 0.985 4.691 1.00 0.00 H new ATOM 0 HG13 VAL A 36 107.377 1.306 4.342 1.00 0.00 H new ATOM 0 HG21 VAL A 36 108.209 -1.623 3.946 1.00 0.00 H new ATOM 0 HG22 VAL A 36 109.110 -0.413 4.892 1.00 0.00 H new ATOM 0 HG23 VAL A 36 108.628 -1.952 5.644 1.00 0.00 H new ATOM 229 N SER A 37 106.600 -1.682 8.338 1.00 0.00 N ATOM 230 CA SER A 37 106.898 -2.739 9.350 1.00 0.00 C ATOM 231 C SER A 37 106.142 -4.026 9.007 1.00 0.00 C ATOM 232 O SER A 37 105.100 -3.996 8.381 1.00 0.00 O ATOM 233 CB SER A 37 106.405 -2.164 10.677 1.00 0.00 C ATOM 234 OG SER A 37 107.150 -0.994 10.988 1.00 0.00 O ATOM 0 H SER A 37 105.612 -1.567 8.114 1.00 0.00 H new ATOM 0 HA SER A 37 107.957 -2.993 9.385 1.00 0.00 H new ATOM 0 HB2 SER A 37 105.343 -1.926 10.611 1.00 0.00 H new ATOM 0 HB3 SER A 37 106.518 -2.902 11.471 1.00 0.00 H new ATOM 0 HG SER A 37 106.835 -0.622 11.838 1.00 0.00 H new ATOM 240 N THR A 38 106.665 -5.155 9.412 1.00 0.00 N ATOM 241 CA THR A 38 105.988 -6.456 9.112 1.00 0.00 C ATOM 242 C THR A 38 105.539 -7.125 10.409 1.00 0.00 C ATOM 243 O THR A 38 105.673 -6.571 11.483 1.00 0.00 O ATOM 244 CB THR A 38 107.035 -7.317 8.393 1.00 0.00 C ATOM 245 OG1 THR A 38 107.913 -6.487 7.641 1.00 0.00 O ATOM 246 CG2 THR A 38 106.333 -8.294 7.450 1.00 0.00 C ATOM 0 H THR A 38 107.535 -5.234 9.939 1.00 0.00 H new ATOM 0 HA THR A 38 105.099 -6.318 8.497 1.00 0.00 H new ATOM 0 HB THR A 38 107.610 -7.871 9.135 1.00 0.00 H new ATOM 0 HG1 THR A 38 108.629 -6.156 8.223 1.00 0.00 H new ATOM 0 HG21 THR A 38 107.077 -8.905 6.940 1.00 0.00 H new ATOM 0 HG22 THR A 38 105.666 -8.938 8.024 1.00 0.00 H new ATOM 0 HG23 THR A 38 105.754 -7.737 6.713 1.00 0.00 H new ATOM 254 N ALA A 39 104.992 -8.307 10.309 1.00 0.00 N ATOM 255 CA ALA A 39 104.510 -9.017 11.529 1.00 0.00 C ATOM 256 C ALA A 39 105.658 -9.257 12.516 1.00 0.00 C ATOM 257 O ALA A 39 105.540 -8.967 13.692 1.00 0.00 O ATOM 258 CB ALA A 39 103.950 -10.350 11.028 1.00 0.00 C ATOM 0 H ALA A 39 104.858 -8.812 9.433 1.00 0.00 H new ATOM 0 HA ALA A 39 103.760 -8.431 12.061 1.00 0.00 H new ATOM 0 HB1 ALA A 39 103.576 -10.928 11.873 1.00 0.00 H new ATOM 0 HB2 ALA A 39 103.136 -10.163 10.328 1.00 0.00 H new ATOM 0 HB3 ALA A 39 104.739 -10.910 10.526 1.00 0.00 H new ATOM 264 N THR A 40 106.761 -9.791 12.052 1.00 0.00 N ATOM 265 CA THR A 40 107.911 -10.059 12.972 1.00 0.00 C ATOM 266 C THR A 40 109.144 -9.234 12.578 1.00 0.00 C ATOM 267 O THR A 40 110.016 -8.992 13.390 1.00 0.00 O ATOM 268 CB THR A 40 108.197 -11.560 12.831 1.00 0.00 C ATOM 269 OG1 THR A 40 109.300 -11.907 13.657 1.00 0.00 O ATOM 270 CG2 THR A 40 108.524 -11.905 11.373 1.00 0.00 C ATOM 0 H THR A 40 106.915 -10.053 11.078 1.00 0.00 H new ATOM 0 HA THR A 40 107.675 -9.780 13.999 1.00 0.00 H new ATOM 0 HB THR A 40 107.313 -12.120 13.136 1.00 0.00 H new ATOM 0 HG1 THR A 40 109.485 -12.866 13.571 1.00 0.00 H new ATOM 0 HG21 THR A 40 108.725 -12.973 11.288 1.00 0.00 H new ATOM 0 HG22 THR A 40 107.677 -11.643 10.738 1.00 0.00 H new ATOM 0 HG23 THR A 40 109.403 -11.344 11.055 1.00 0.00 H new ATOM 278 N GLN A 41 109.223 -8.804 11.344 1.00 0.00 N ATOM 279 CA GLN A 41 110.402 -7.996 10.903 1.00 0.00 C ATOM 280 C GLN A 41 109.954 -6.596 10.480 1.00 0.00 C ATOM 281 O GLN A 41 108.784 -6.353 10.267 1.00 0.00 O ATOM 282 CB GLN A 41 110.983 -8.756 9.711 1.00 0.00 C ATOM 283 CG GLN A 41 111.623 -10.058 10.195 1.00 0.00 C ATOM 284 CD GLN A 41 112.298 -10.764 9.017 1.00 0.00 C ATOM 285 OE1 GLN A 41 113.341 -10.342 8.559 1.00 0.00 O ATOM 286 NE2 GLN A 41 111.743 -11.828 8.505 1.00 0.00 N ATOM 0 H GLN A 41 108.523 -8.977 10.623 1.00 0.00 H new ATOM 0 HA GLN A 41 111.135 -7.868 11.699 1.00 0.00 H new ATOM 0 HB2 GLN A 41 110.197 -8.972 8.987 1.00 0.00 H new ATOM 0 HB3 GLN A 41 111.725 -8.141 9.202 1.00 0.00 H new ATOM 0 HG2 GLN A 41 112.355 -9.848 10.975 1.00 0.00 H new ATOM 0 HG3 GLN A 41 110.865 -10.706 10.636 1.00 0.00 H new ATOM 0 HE21 GLN A 41 110.867 -12.182 8.890 1.00 0.00 H new ATOM 0 HE22 GLN A 41 112.185 -12.306 7.720 1.00 0.00 H new ATOM 295 N SER A 42 110.877 -5.676 10.357 1.00 0.00 N ATOM 296 CA SER A 42 110.507 -4.289 9.943 1.00 0.00 C ATOM 297 C SER A 42 111.639 -3.658 9.129 1.00 0.00 C ATOM 298 O SER A 42 112.751 -3.510 9.601 1.00 0.00 O ATOM 299 CB SER A 42 110.293 -3.527 11.250 1.00 0.00 C ATOM 300 OG SER A 42 109.045 -3.906 11.815 1.00 0.00 O ATOM 0 H SER A 42 111.872 -5.826 10.526 1.00 0.00 H new ATOM 0 HA SER A 42 109.618 -4.271 9.313 1.00 0.00 H new ATOM 0 HB2 SER A 42 111.102 -3.744 11.948 1.00 0.00 H new ATOM 0 HB3 SER A 42 110.311 -2.453 11.065 1.00 0.00 H new ATOM 0 HG SER A 42 108.687 -4.678 11.329 1.00 0.00 H new ATOM 306 N PHE A 43 111.357 -3.284 7.909 1.00 0.00 N ATOM 307 CA PHE A 43 112.405 -2.658 7.041 1.00 0.00 C ATOM 308 C PHE A 43 111.862 -1.377 6.404 1.00 0.00 C ATOM 309 O PHE A 43 110.750 -0.965 6.674 1.00 0.00 O ATOM 310 CB PHE A 43 112.734 -3.695 5.954 1.00 0.00 C ATOM 311 CG PHE A 43 111.462 -4.197 5.305 1.00 0.00 C ATOM 312 CD1 PHE A 43 110.769 -5.270 5.874 1.00 0.00 C ATOM 313 CD2 PHE A 43 110.978 -3.590 4.142 1.00 0.00 C ATOM 314 CE1 PHE A 43 109.596 -5.737 5.283 1.00 0.00 C ATOM 315 CE2 PHE A 43 109.801 -4.059 3.549 1.00 0.00 C ATOM 316 CZ PHE A 43 109.111 -5.134 4.123 1.00 0.00 C ATOM 0 H PHE A 43 110.441 -3.385 7.471 1.00 0.00 H new ATOM 0 HA PHE A 43 113.292 -2.389 7.615 1.00 0.00 H new ATOM 0 HB2 PHE A 43 113.383 -3.249 5.201 1.00 0.00 H new ATOM 0 HB3 PHE A 43 113.281 -4.530 6.392 1.00 0.00 H new ATOM 0 HD1 PHE A 43 111.143 -5.738 6.773 1.00 0.00 H new ATOM 0 HD2 PHE A 43 111.512 -2.761 3.702 1.00 0.00 H new ATOM 0 HE1 PHE A 43 109.063 -6.566 5.724 1.00 0.00 H new ATOM 0 HE2 PHE A 43 109.425 -3.593 2.650 1.00 0.00 H new ATOM 0 HZ PHE A 43 108.202 -5.497 3.667 1.00 0.00 H new ATOM 326 N LEU A 44 112.639 -0.746 5.561 1.00 0.00 N ATOM 327 CA LEU A 44 112.172 0.514 4.902 1.00 0.00 C ATOM 328 C LEU A 44 112.216 0.353 3.379 1.00 0.00 C ATOM 329 O LEU A 44 112.699 -0.639 2.867 1.00 0.00 O ATOM 330 CB LEU A 44 113.149 1.611 5.352 1.00 0.00 C ATOM 331 CG LEU A 44 113.295 1.620 6.881 1.00 0.00 C ATOM 332 CD1 LEU A 44 114.272 2.723 7.287 1.00 0.00 C ATOM 333 CD2 LEU A 44 111.940 1.888 7.540 1.00 0.00 C ATOM 0 H LEU A 44 113.578 -1.048 5.300 1.00 0.00 H new ATOM 0 HA LEU A 44 111.146 0.759 5.176 1.00 0.00 H new ATOM 0 HB2 LEU A 44 114.123 1.448 4.890 1.00 0.00 H new ATOM 0 HB3 LEU A 44 112.793 2.583 5.011 1.00 0.00 H new ATOM 0 HG LEU A 44 113.667 0.649 7.207 1.00 0.00 H new ATOM 0 HD11 LEU A 44 114.379 2.733 8.372 1.00 0.00 H new ATOM 0 HD12 LEU A 44 115.243 2.536 6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 44 113.892 3.688 6.951 1.00 0.00 H new ATOM 0 HD21 LEU A 44 112.057 1.892 8.624 1.00 0.00 H new ATOM 0 HD22 LEU A 44 111.561 2.856 7.212 1.00 0.00 H new ATOM 0 HD23 LEU A 44 111.235 1.107 7.254 1.00 0.00 H new ATOM 345 N ALA A 45 111.712 1.321 2.656 1.00 0.00 N ATOM 346 CA ALA A 45 111.719 1.231 1.165 1.00 0.00 C ATOM 347 C ALA A 45 111.788 2.631 0.547 1.00 0.00 C ATOM 348 O ALA A 45 111.483 3.618 1.190 1.00 0.00 O ATOM 349 CB ALA A 45 110.398 0.552 0.804 1.00 0.00 C ATOM 0 H ALA A 45 111.295 2.171 3.035 1.00 0.00 H new ATOM 0 HA ALA A 45 112.580 0.677 0.790 1.00 0.00 H new ATOM 0 HB1 ALA A 45 110.326 0.448 -0.279 1.00 0.00 H new ATOM 0 HB2 ALA A 45 110.358 -0.434 1.266 1.00 0.00 H new ATOM 0 HB3 ALA A 45 109.567 1.157 1.167 1.00 0.00 H new ATOM 355 N THR A 46 112.184 2.717 -0.698 1.00 0.00 N ATOM 356 CA THR A 46 112.275 4.049 -1.372 1.00 0.00 C ATOM 357 C THR A 46 111.700 3.964 -2.791 1.00 0.00 C ATOM 358 O THR A 46 111.844 2.963 -3.466 1.00 0.00 O ATOM 359 CB THR A 46 113.773 4.380 -1.406 1.00 0.00 C ATOM 360 OG1 THR A 46 113.961 5.635 -2.044 1.00 0.00 O ATOM 361 CG2 THR A 46 114.541 3.296 -2.174 1.00 0.00 C ATOM 0 H THR A 46 112.449 1.921 -1.278 1.00 0.00 H new ATOM 0 HA THR A 46 111.706 4.818 -0.849 1.00 0.00 H new ATOM 0 HB THR A 46 114.151 4.422 -0.385 1.00 0.00 H new ATOM 0 HG1 THR A 46 114.917 5.851 -2.066 1.00 0.00 H new ATOM 0 HG21 THR A 46 115.602 3.544 -2.190 1.00 0.00 H new ATOM 0 HG22 THR A 46 114.401 2.333 -1.682 1.00 0.00 H new ATOM 0 HG23 THR A 46 114.166 3.239 -3.196 1.00 0.00 H new ATOM 369 N CYS A 47 111.048 5.007 -3.241 1.00 0.00 N ATOM 370 CA CYS A 47 110.457 4.986 -4.618 1.00 0.00 C ATOM 371 C CYS A 47 111.482 5.464 -5.658 1.00 0.00 C ATOM 372 O CYS A 47 112.026 6.548 -5.561 1.00 0.00 O ATOM 373 CB CYS A 47 109.235 5.920 -4.565 1.00 0.00 C ATOM 374 SG CYS A 47 109.731 7.616 -4.146 1.00 0.00 S ATOM 0 H CYS A 47 110.899 5.870 -2.718 1.00 0.00 H new ATOM 0 HA CYS A 47 110.168 3.978 -4.917 1.00 0.00 H new ATOM 0 HB2 CYS A 47 108.726 5.914 -5.529 1.00 0.00 H new ATOM 0 HB3 CYS A 47 108.523 5.552 -3.826 1.00 0.00 H new ATOM 0 HG CYS A 47 110.906 7.860 -4.645 1.00 0.00 H new ATOM 380 N VAL A 48 111.749 4.650 -6.649 1.00 0.00 N ATOM 381 CA VAL A 48 112.737 5.040 -7.702 1.00 0.00 C ATOM 382 C VAL A 48 112.141 4.811 -9.098 1.00 0.00 C ATOM 383 O VAL A 48 111.707 3.724 -9.427 1.00 0.00 O ATOM 384 CB VAL A 48 113.947 4.125 -7.475 1.00 0.00 C ATOM 385 CG1 VAL A 48 115.037 4.447 -8.500 1.00 0.00 C ATOM 386 CG2 VAL A 48 114.501 4.348 -6.065 1.00 0.00 C ATOM 0 H VAL A 48 111.325 3.731 -6.774 1.00 0.00 H new ATOM 0 HA VAL A 48 113.009 6.094 -7.642 1.00 0.00 H new ATOM 0 HB VAL A 48 113.636 3.086 -7.587 1.00 0.00 H new ATOM 0 HG11 VAL A 48 115.895 3.795 -8.336 1.00 0.00 H new ATOM 0 HG12 VAL A 48 114.649 4.289 -9.506 1.00 0.00 H new ATOM 0 HG13 VAL A 48 115.345 5.487 -8.389 1.00 0.00 H new ATOM 0 HG21 VAL A 48 115.361 3.697 -5.905 1.00 0.00 H new ATOM 0 HG22 VAL A 48 114.808 5.388 -5.955 1.00 0.00 H new ATOM 0 HG23 VAL A 48 113.730 4.117 -5.330 1.00 0.00 H new ATOM 396 N ASN A 49 112.129 5.830 -9.924 1.00 0.00 N ATOM 397 CA ASN A 49 111.575 5.693 -11.312 1.00 0.00 C ATOM 398 C ASN A 49 110.169 5.075 -11.294 1.00 0.00 C ATOM 399 O ASN A 49 109.835 4.252 -12.125 1.00 0.00 O ATOM 400 CB ASN A 49 112.554 4.772 -12.045 1.00 0.00 C ATOM 401 CG ASN A 49 112.386 4.943 -13.556 1.00 0.00 C ATOM 402 OD1 ASN A 49 111.564 4.290 -14.165 1.00 0.00 O ATOM 403 ND2 ASN A 49 113.137 5.802 -14.189 1.00 0.00 N ATOM 0 H ASN A 49 112.482 6.759 -9.695 1.00 0.00 H new ATOM 0 HA ASN A 49 111.476 6.663 -11.799 1.00 0.00 H new ATOM 0 HB2 ASN A 49 113.578 5.007 -11.754 1.00 0.00 H new ATOM 0 HB3 ASN A 49 112.373 3.735 -11.764 1.00 0.00 H new ATOM 0 HD21 ASN A 49 113.033 5.925 -15.196 1.00 0.00 H new ATOM 0 HD22 ASN A 49 113.828 6.350 -13.677 1.00 0.00 H new ATOM 410 N GLY A 50 109.346 5.471 -10.357 1.00 0.00 N ATOM 411 CA GLY A 50 107.961 4.917 -10.280 1.00 0.00 C ATOM 412 C GLY A 50 108.005 3.448 -9.841 1.00 0.00 C ATOM 413 O GLY A 50 107.082 2.693 -10.090 1.00 0.00 O ATOM 0 H GLY A 50 109.575 6.158 -9.638 1.00 0.00 H new ATOM 0 HA2 GLY A 50 107.367 5.498 -9.574 1.00 0.00 H new ATOM 0 HA3 GLY A 50 107.473 5.000 -11.251 1.00 0.00 H new ATOM 417 N VAL A 51 109.062 3.040 -9.184 1.00 0.00 N ATOM 418 CA VAL A 51 109.165 1.623 -8.723 1.00 0.00 C ATOM 419 C VAL A 51 109.833 1.580 -7.346 1.00 0.00 C ATOM 420 O VAL A 51 110.996 1.909 -7.205 1.00 0.00 O ATOM 421 CB VAL A 51 110.035 0.922 -9.771 1.00 0.00 C ATOM 422 CG1 VAL A 51 110.205 -0.553 -9.397 1.00 0.00 C ATOM 423 CG2 VAL A 51 109.361 1.018 -11.143 1.00 0.00 C ATOM 0 H VAL A 51 109.860 3.630 -8.947 1.00 0.00 H new ATOM 0 HA VAL A 51 108.192 1.141 -8.626 1.00 0.00 H new ATOM 0 HB VAL A 51 111.012 1.404 -9.807 1.00 0.00 H new ATOM 0 HG11 VAL A 51 110.824 -1.049 -10.144 1.00 0.00 H new ATOM 0 HG12 VAL A 51 110.684 -0.628 -8.421 1.00 0.00 H new ATOM 0 HG13 VAL A 51 109.227 -1.034 -9.359 1.00 0.00 H new ATOM 0 HG21 VAL A 51 109.980 0.519 -11.888 1.00 0.00 H new ATOM 0 HG22 VAL A 51 108.384 0.537 -11.103 1.00 0.00 H new ATOM 0 HG23 VAL A 51 109.239 2.066 -11.416 1.00 0.00 H new ATOM 433 N CYS A 52 109.106 1.182 -6.336 1.00 0.00 N ATOM 434 CA CYS A 52 109.694 1.121 -4.964 1.00 0.00 C ATOM 435 C CYS A 52 110.531 -0.149 -4.804 1.00 0.00 C ATOM 436 O CYS A 52 110.053 -1.246 -5.026 1.00 0.00 O ATOM 437 CB CYS A 52 108.495 1.095 -4.015 1.00 0.00 C ATOM 438 SG CYS A 52 107.676 2.708 -4.033 1.00 0.00 S ATOM 0 H CYS A 52 108.129 0.896 -6.401 1.00 0.00 H new ATOM 0 HA CYS A 52 110.354 1.965 -4.762 1.00 0.00 H new ATOM 0 HB2 CYS A 52 107.795 0.316 -4.318 1.00 0.00 H new ATOM 0 HB3 CYS A 52 108.823 0.853 -3.004 1.00 0.00 H new ATOM 0 HG CYS A 52 106.655 2.685 -3.228 1.00 0.00 H new ATOM 444 N TRP A 53 111.774 -0.008 -4.418 1.00 0.00 N ATOM 445 CA TRP A 53 112.642 -1.209 -4.239 1.00 0.00 C ATOM 446 C TRP A 53 113.018 -1.371 -2.765 1.00 0.00 C ATOM 447 O TRP A 53 113.363 -0.417 -2.092 1.00 0.00 O ATOM 448 CB TRP A 53 113.886 -0.929 -5.081 1.00 0.00 C ATOM 449 CG TRP A 53 113.526 -0.977 -6.532 1.00 0.00 C ATOM 450 CD1 TRP A 53 113.352 0.103 -7.325 1.00 0.00 C ATOM 451 CD2 TRP A 53 113.296 -2.144 -7.373 1.00 0.00 C ATOM 452 NE1 TRP A 53 113.028 -0.325 -8.599 1.00 0.00 N ATOM 453 CE2 TRP A 53 112.981 -1.703 -8.680 1.00 0.00 C ATOM 454 CE3 TRP A 53 113.329 -3.531 -7.132 1.00 0.00 C ATOM 455 CZ2 TRP A 53 112.708 -2.603 -9.711 1.00 0.00 C ATOM 456 CZ3 TRP A 53 113.055 -4.439 -8.168 1.00 0.00 C ATOM 457 CH2 TRP A 53 112.745 -3.976 -9.454 1.00 0.00 C ATOM 0 H TRP A 53 112.224 0.886 -4.220 1.00 0.00 H new ATOM 0 HA TRP A 53 112.143 -2.129 -4.544 1.00 0.00 H new ATOM 0 HB2 TRP A 53 114.296 0.049 -4.829 1.00 0.00 H new ATOM 0 HB3 TRP A 53 114.660 -1.665 -4.863 1.00 0.00 H new ATOM 0 HD1 TRP A 53 113.450 1.133 -7.014 1.00 0.00 H new ATOM 0 HE1 TRP A 53 112.846 0.301 -9.384 1.00 0.00 H new ATOM 0 HE3 TRP A 53 113.566 -3.899 -6.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 112.470 -2.241 -10.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 113.083 -5.501 -7.972 1.00 0.00 H new ATOM 0 HH2 TRP A 53 112.535 -4.680 -10.246 1.00 0.00 H new ATOM 468 N THR A 54 112.960 -2.577 -2.266 1.00 0.00 N ATOM 469 CA THR A 54 113.318 -2.828 -0.840 1.00 0.00 C ATOM 470 C THR A 54 114.156 -4.106 -0.728 1.00 0.00 C ATOM 471 O THR A 54 114.444 -4.758 -1.713 1.00 0.00 O ATOM 472 CB THR A 54 111.984 -2.969 -0.099 1.00 0.00 C ATOM 473 OG1 THR A 54 112.237 -3.229 1.274 1.00 0.00 O ATOM 474 CG2 THR A 54 111.161 -4.117 -0.690 1.00 0.00 C ATOM 0 H THR A 54 112.678 -3.405 -2.790 1.00 0.00 H new ATOM 0 HA THR A 54 113.917 -2.023 -0.415 1.00 0.00 H new ATOM 0 HB THR A 54 111.421 -2.042 -0.206 1.00 0.00 H new ATOM 0 HG1 THR A 54 111.386 -3.332 1.750 1.00 0.00 H new ATOM 0 HG21 THR A 54 110.217 -4.203 -0.152 1.00 0.00 H new ATOM 0 HG22 THR A 54 110.962 -3.917 -1.743 1.00 0.00 H new ATOM 0 HG23 THR A 54 111.718 -5.049 -0.597 1.00 0.00 H new ATOM 482 N VAL A 55 114.548 -4.464 0.467 1.00 0.00 N ATOM 483 CA VAL A 55 115.369 -5.700 0.658 1.00 0.00 C ATOM 484 C VAL A 55 114.440 -6.936 0.679 1.00 0.00 C ATOM 485 O VAL A 55 113.347 -6.892 1.210 1.00 0.00 O ATOM 486 CB VAL A 55 116.096 -5.445 2.002 1.00 0.00 C ATOM 487 CG1 VAL A 55 116.367 -6.743 2.768 1.00 0.00 C ATOM 488 CG2 VAL A 55 117.433 -4.757 1.721 1.00 0.00 C ATOM 0 H VAL A 55 114.335 -3.952 1.323 1.00 0.00 H new ATOM 0 HA VAL A 55 116.087 -5.902 -0.137 1.00 0.00 H new ATOM 0 HB VAL A 55 115.448 -4.819 2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 55 116.878 -6.514 3.703 1.00 0.00 H new ATOM 0 HG12 VAL A 55 115.422 -7.242 2.984 1.00 0.00 H new ATOM 0 HG13 VAL A 55 116.994 -7.398 2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 55 117.952 -4.573 2.662 1.00 0.00 H new ATOM 0 HG22 VAL A 55 118.046 -5.398 1.087 1.00 0.00 H new ATOM 0 HG23 VAL A 55 117.255 -3.809 1.214 1.00 0.00 H new ATOM 498 N TYR A 56 114.871 -8.029 0.088 1.00 0.00 N ATOM 499 CA TYR A 56 114.020 -9.264 0.051 1.00 0.00 C ATOM 500 C TYR A 56 114.193 -10.118 1.322 1.00 0.00 C ATOM 501 O TYR A 56 113.230 -10.639 1.855 1.00 0.00 O ATOM 502 CB TYR A 56 114.508 -10.028 -1.204 1.00 0.00 C ATOM 503 CG TYR A 56 113.998 -11.462 -1.195 1.00 0.00 C ATOM 504 CD1 TYR A 56 112.852 -11.813 -1.917 1.00 0.00 C ATOM 505 CD2 TYR A 56 114.669 -12.431 -0.439 1.00 0.00 C ATOM 506 CE1 TYR A 56 112.378 -13.131 -1.879 1.00 0.00 C ATOM 507 CE2 TYR A 56 114.200 -13.745 -0.403 1.00 0.00 C ATOM 508 CZ TYR A 56 113.052 -14.097 -1.122 1.00 0.00 C ATOM 509 OH TYR A 56 112.584 -15.394 -1.084 1.00 0.00 O ATOM 0 H TYR A 56 115.778 -8.118 -0.371 1.00 0.00 H new ATOM 0 HA TYR A 56 112.958 -9.024 0.010 1.00 0.00 H new ATOM 0 HB2 TYR A 56 114.161 -9.519 -2.103 1.00 0.00 H new ATOM 0 HB3 TYR A 56 115.598 -10.025 -1.237 1.00 0.00 H new ATOM 0 HD1 TYR A 56 112.333 -11.069 -2.503 1.00 0.00 H new ATOM 0 HD2 TYR A 56 115.553 -12.160 0.119 1.00 0.00 H new ATOM 0 HE1 TYR A 56 111.492 -13.402 -2.434 1.00 0.00 H new ATOM 0 HE2 TYR A 56 114.723 -14.490 0.179 1.00 0.00 H new ATOM 0 HH TYR A 56 113.168 -15.936 -0.514 1.00 0.00 H new ATOM 519 N HIS A 57 115.407 -10.307 1.779 1.00 0.00 N ATOM 520 CA HIS A 57 115.628 -11.178 2.978 1.00 0.00 C ATOM 521 C HIS A 57 114.839 -10.674 4.200 1.00 0.00 C ATOM 522 O HIS A 57 114.621 -11.406 5.147 1.00 0.00 O ATOM 523 CB HIS A 57 117.149 -11.169 3.212 1.00 0.00 C ATOM 524 CG HIS A 57 117.624 -9.864 3.794 1.00 0.00 C ATOM 525 ND1 HIS A 57 118.557 -9.051 3.139 1.00 0.00 N ATOM 526 CD2 HIS A 57 117.345 -9.239 4.984 1.00 0.00 C ATOM 527 CE1 HIS A 57 118.804 -7.993 3.938 1.00 0.00 C ATOM 528 NE2 HIS A 57 118.092 -8.080 5.052 1.00 0.00 N ATOM 0 H HIS A 57 116.251 -9.899 1.377 1.00 0.00 H new ATOM 0 HA HIS A 57 115.264 -12.193 2.816 1.00 0.00 H new ATOM 0 HB2 HIS A 57 117.417 -11.984 3.884 1.00 0.00 H new ATOM 0 HB3 HIS A 57 117.662 -11.353 2.268 1.00 0.00 H new ATOM 0 HD1 HIS A 57 118.974 -9.227 2.225 1.00 0.00 H new ATOM 0 HD2 HIS A 57 116.658 -9.594 5.738 1.00 0.00 H new ATOM 0 HE1 HIS A 57 119.486 -7.189 3.703 1.00 0.00 H new ATOM 536 N GLY A 58 114.402 -9.439 4.179 1.00 0.00 N ATOM 537 CA GLY A 58 113.619 -8.895 5.327 1.00 0.00 C ATOM 538 C GLY A 58 112.140 -9.230 5.123 1.00 0.00 C ATOM 539 O GLY A 58 111.504 -9.817 5.977 1.00 0.00 O ATOM 0 H GLY A 58 114.555 -8.784 3.413 1.00 0.00 H new ATOM 0 HA2 GLY A 58 113.977 -9.323 6.263 1.00 0.00 H new ATOM 0 HA3 GLY A 58 113.755 -7.816 5.398 1.00 0.00 H new ATOM 543 N ALA A 59 111.595 -8.868 3.988 1.00 0.00 N ATOM 544 CA ALA A 59 110.158 -9.170 3.712 1.00 0.00 C ATOM 545 C ALA A 59 110.012 -10.625 3.261 1.00 0.00 C ATOM 546 O ALA A 59 109.384 -11.428 3.924 1.00 0.00 O ATOM 547 CB ALA A 59 109.759 -8.216 2.585 1.00 0.00 C ATOM 0 H ALA A 59 112.084 -8.376 3.240 1.00 0.00 H new ATOM 0 HA ALA A 59 109.529 -9.040 4.592 1.00 0.00 H new ATOM 0 HB1 ALA A 59 108.713 -8.377 2.325 1.00 0.00 H new ATOM 0 HB2 ALA A 59 109.896 -7.186 2.914 1.00 0.00 H new ATOM 0 HB3 ALA A 59 110.383 -8.404 1.711 1.00 0.00 H new ATOM 553 N GLY A 60 110.598 -10.971 2.140 1.00 0.00 N ATOM 554 CA GLY A 60 110.507 -12.376 1.645 1.00 0.00 C ATOM 555 C GLY A 60 109.583 -12.442 0.428 1.00 0.00 C ATOM 556 O GLY A 60 109.201 -11.430 -0.130 1.00 0.00 O ATOM 0 H GLY A 60 111.136 -10.338 1.547 1.00 0.00 H new ATOM 0 HA2 GLY A 60 111.499 -12.742 1.379 1.00 0.00 H new ATOM 0 HA3 GLY A 60 110.129 -13.025 2.435 1.00 0.00 H new ATOM 719 N THR A 72 99.612 -8.205 -5.812 1.00 0.00 N ATOM 720 CA THR A 72 100.278 -9.329 -6.541 1.00 0.00 C ATOM 721 C THR A 72 101.796 -9.126 -6.556 1.00 0.00 C ATOM 722 O THR A 72 102.282 -8.026 -6.741 1.00 0.00 O ATOM 723 CB THR A 72 99.716 -9.274 -7.964 1.00 0.00 C ATOM 724 OG1 THR A 72 98.296 -9.230 -7.909 1.00 0.00 O ATOM 725 CG2 THR A 72 100.160 -10.515 -8.740 1.00 0.00 C ATOM 0 HA THR A 72 100.091 -10.293 -6.067 1.00 0.00 H new ATOM 0 HB THR A 72 100.089 -8.382 -8.467 1.00 0.00 H new ATOM 0 HG1 THR A 72 98.015 -8.611 -7.203 1.00 0.00 H new ATOM 0 HG21 THR A 72 99.759 -10.474 -9.753 1.00 0.00 H new ATOM 0 HG22 THR A 72 101.249 -10.548 -8.782 1.00 0.00 H new ATOM 0 HG23 THR A 72 99.789 -11.409 -8.239 1.00 0.00 H new ATOM 733 N GLN A 73 102.544 -10.184 -6.365 1.00 0.00 N ATOM 734 CA GLN A 73 104.036 -10.065 -6.370 1.00 0.00 C ATOM 735 C GLN A 73 104.543 -9.878 -7.800 1.00 0.00 C ATOM 736 O GLN A 73 104.172 -10.611 -8.698 1.00 0.00 O ATOM 737 CB GLN A 73 104.543 -11.388 -5.792 1.00 0.00 C ATOM 738 CG GLN A 73 104.422 -11.358 -4.267 1.00 0.00 C ATOM 739 CD GLN A 73 105.627 -10.626 -3.675 1.00 0.00 C ATOM 740 OE1 GLN A 73 106.815 -11.152 -3.792 1.00 0.00 O flip ATOM 741 NE2 GLN A 73 105.485 -9.565 -3.099 1.00 0.00 N flip ATOM 0 H GLN A 73 102.186 -11.126 -6.206 1.00 0.00 H new ATOM 0 HA GLN A 73 104.384 -9.209 -5.792 1.00 0.00 H new ATOM 0 HB2 GLN A 73 103.966 -12.219 -6.197 1.00 0.00 H new ATOM 0 HB3 GLN A 73 105.581 -11.550 -6.082 1.00 0.00 H new ATOM 0 HG2 GLN A 73 103.499 -10.857 -3.974 1.00 0.00 H new ATOM 0 HG3 GLN A 73 104.372 -12.374 -3.875 1.00 0.00 H new ATOM 0 HE21 GLN A 73 104.556 -9.154 -3.008 1.00 0.00 H new ATOM 0 HE22 GLN A 73 106.295 -9.085 -2.707 1.00 0.00 H new ATOM 750 N MET A 74 105.393 -8.904 -8.019 1.00 0.00 N ATOM 751 CA MET A 74 105.928 -8.672 -9.396 1.00 0.00 C ATOM 752 C MET A 74 107.454 -8.815 -9.417 1.00 0.00 C ATOM 753 O MET A 74 108.008 -9.414 -10.320 1.00 0.00 O ATOM 754 CB MET A 74 105.496 -7.253 -9.787 1.00 0.00 C ATOM 755 CG MET A 74 105.996 -6.229 -8.762 1.00 0.00 C ATOM 756 SD MET A 74 105.388 -4.587 -9.215 1.00 0.00 S ATOM 757 CE MET A 74 103.674 -4.826 -8.681 1.00 0.00 C ATOM 0 H MET A 74 105.738 -8.262 -7.306 1.00 0.00 H new ATOM 0 HA MET A 74 105.542 -9.406 -10.103 1.00 0.00 H new ATOM 0 HB2 MET A 74 105.889 -7.008 -10.774 1.00 0.00 H new ATOM 0 HB3 MET A 74 104.409 -7.205 -9.855 1.00 0.00 H new ATOM 0 HG2 MET A 74 105.648 -6.496 -7.764 1.00 0.00 H new ATOM 0 HG3 MET A 74 107.086 -6.230 -8.731 1.00 0.00 H new ATOM 0 HE1 MET A 74 103.164 -3.863 -8.653 1.00 0.00 H new ATOM 0 HE2 MET A 74 103.163 -5.487 -9.382 1.00 0.00 H new ATOM 0 HE3 MET A 74 103.662 -5.272 -7.687 1.00 0.00 H new ATOM 767 N TYR A 75 108.139 -8.282 -8.432 1.00 0.00 N ATOM 768 CA TYR A 75 109.630 -8.409 -8.410 1.00 0.00 C ATOM 769 C TYR A 75 110.077 -9.145 -7.142 1.00 0.00 C ATOM 770 O TYR A 75 109.912 -8.656 -6.040 1.00 0.00 O ATOM 771 CB TYR A 75 110.157 -6.972 -8.420 1.00 0.00 C ATOM 772 CG TYR A 75 109.758 -6.290 -9.708 1.00 0.00 C ATOM 773 CD1 TYR A 75 110.068 -6.876 -10.942 1.00 0.00 C ATOM 774 CD2 TYR A 75 109.079 -5.065 -9.667 1.00 0.00 C ATOM 775 CE1 TYR A 75 109.697 -6.239 -12.132 1.00 0.00 C ATOM 776 CE2 TYR A 75 108.709 -4.429 -10.858 1.00 0.00 C ATOM 777 CZ TYR A 75 109.018 -5.016 -12.091 1.00 0.00 C ATOM 778 OH TYR A 75 108.652 -4.389 -13.264 1.00 0.00 O ATOM 0 H TYR A 75 107.733 -7.769 -7.649 1.00 0.00 H new ATOM 0 HA TYR A 75 110.009 -8.980 -9.257 1.00 0.00 H new ATOM 0 HB2 TYR A 75 109.757 -6.422 -7.568 1.00 0.00 H new ATOM 0 HB3 TYR A 75 111.242 -6.972 -8.319 1.00 0.00 H new ATOM 0 HD1 TYR A 75 110.593 -7.819 -10.975 1.00 0.00 H new ATOM 0 HD2 TYR A 75 108.841 -4.611 -8.716 1.00 0.00 H new ATOM 0 HE1 TYR A 75 109.935 -6.692 -13.083 1.00 0.00 H new ATOM 0 HE2 TYR A 75 108.185 -3.485 -10.826 1.00 0.00 H new ATOM 0 HH TYR A 75 108.410 -3.458 -13.076 1.00 0.00 H new ATOM 788 N THR A 76 110.638 -10.319 -7.294 1.00 0.00 N ATOM 789 CA THR A 76 111.096 -11.101 -6.104 1.00 0.00 C ATOM 790 C THR A 76 112.256 -12.026 -6.493 1.00 0.00 C ATOM 791 O THR A 76 112.184 -12.733 -7.482 1.00 0.00 O ATOM 792 CB THR A 76 109.873 -11.917 -5.685 1.00 0.00 C ATOM 793 OG1 THR A 76 108.751 -11.054 -5.563 1.00 0.00 O ATOM 794 CG2 THR A 76 110.143 -12.597 -4.345 1.00 0.00 C ATOM 0 H THR A 76 110.799 -10.771 -8.194 1.00 0.00 H new ATOM 0 HA THR A 76 111.460 -10.463 -5.299 1.00 0.00 H new ATOM 0 HB THR A 76 109.668 -12.677 -6.439 1.00 0.00 H new ATOM 0 HG1 THR A 76 108.098 -11.452 -4.950 1.00 0.00 H new ATOM 0 HG21 THR A 76 109.269 -13.178 -4.049 1.00 0.00 H new ATOM 0 HG22 THR A 76 111.004 -13.259 -4.440 1.00 0.00 H new ATOM 0 HG23 THR A 76 110.349 -11.840 -3.588 1.00 0.00 H new ATOM 802 N ASN A 77 113.327 -12.028 -5.728 1.00 0.00 N ATOM 803 CA ASN A 77 114.490 -12.912 -6.070 1.00 0.00 C ATOM 804 C ASN A 77 115.516 -12.949 -4.929 1.00 0.00 C ATOM 805 O ASN A 77 116.005 -11.922 -4.496 1.00 0.00 O ATOM 806 CB ASN A 77 115.110 -12.267 -7.310 1.00 0.00 C ATOM 807 CG ASN A 77 116.269 -13.128 -7.826 1.00 0.00 C ATOM 808 OD1 ASN A 77 116.752 -14.004 -7.135 1.00 0.00 O ATOM 809 ND2 ASN A 77 116.737 -12.912 -9.024 1.00 0.00 N ATOM 0 H ASN A 77 113.445 -11.460 -4.889 1.00 0.00 H new ATOM 0 HA ASN A 77 114.178 -13.943 -6.238 1.00 0.00 H new ATOM 0 HB2 ASN A 77 114.355 -12.155 -8.088 1.00 0.00 H new ATOM 0 HB3 ASN A 77 115.469 -11.267 -7.068 1.00 0.00 H new ATOM 0 HD21 ASN A 77 117.507 -13.478 -9.380 1.00 0.00 H new ATOM 0 HD22 ASN A 77 116.333 -12.177 -9.605 1.00 0.00 H new ATOM 816 N VAL A 78 115.859 -14.125 -4.452 1.00 0.00 N ATOM 817 CA VAL A 78 116.872 -14.223 -3.353 1.00 0.00 C ATOM 818 C VAL A 78 118.268 -13.909 -3.910 1.00 0.00 C ATOM 819 O VAL A 78 119.080 -13.284 -3.254 1.00 0.00 O ATOM 820 CB VAL A 78 116.789 -15.672 -2.828 1.00 0.00 C ATOM 821 CG1 VAL A 78 117.910 -15.953 -1.810 1.00 0.00 C ATOM 822 CG2 VAL A 78 115.446 -15.882 -2.130 1.00 0.00 C ATOM 0 H VAL A 78 115.482 -15.016 -4.775 1.00 0.00 H new ATOM 0 HA VAL A 78 116.682 -13.512 -2.549 1.00 0.00 H new ATOM 0 HB VAL A 78 116.895 -16.348 -3.677 1.00 0.00 H new ATOM 0 HG11 VAL A 78 117.830 -16.980 -1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 78 118.879 -15.809 -2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 78 117.815 -15.269 -0.966 1.00 0.00 H new ATOM 0 HG21 VAL A 78 115.385 -16.905 -1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 78 115.357 -15.187 -1.295 1.00 0.00 H new ATOM 0 HG23 VAL A 78 114.636 -15.704 -2.838 1.00 0.00 H new ATOM 832 N ASP A 79 118.555 -14.351 -5.111 1.00 0.00 N ATOM 833 CA ASP A 79 119.906 -14.093 -5.712 1.00 0.00 C ATOM 834 C ASP A 79 120.206 -12.591 -5.724 1.00 0.00 C ATOM 835 O ASP A 79 121.337 -12.173 -5.553 1.00 0.00 O ATOM 836 CB ASP A 79 119.822 -14.631 -7.139 1.00 0.00 C ATOM 837 CG ASP A 79 121.232 -14.777 -7.714 1.00 0.00 C ATOM 838 OD1 ASP A 79 121.666 -15.903 -7.889 1.00 0.00 O ATOM 839 OD2 ASP A 79 121.855 -13.760 -7.970 1.00 0.00 O ATOM 0 H ASP A 79 117.914 -14.879 -5.702 1.00 0.00 H new ATOM 0 HA ASP A 79 120.703 -14.572 -5.143 1.00 0.00 H new ATOM 0 HB2 ASP A 79 119.313 -15.595 -7.146 1.00 0.00 H new ATOM 0 HB3 ASP A 79 119.233 -13.955 -7.759 1.00 0.00 H new ATOM 844 N GLN A 80 119.197 -11.782 -5.913 1.00 0.00 N ATOM 845 CA GLN A 80 119.406 -10.305 -5.927 1.00 0.00 C ATOM 846 C GLN A 80 119.036 -9.693 -4.567 1.00 0.00 C ATOM 847 O GLN A 80 119.335 -8.545 -4.298 1.00 0.00 O ATOM 848 CB GLN A 80 118.469 -9.788 -7.019 1.00 0.00 C ATOM 849 CG GLN A 80 119.065 -8.527 -7.648 1.00 0.00 C ATOM 850 CD GLN A 80 120.137 -8.923 -8.664 1.00 0.00 C ATOM 851 OE1 GLN A 80 121.114 -9.558 -8.319 1.00 0.00 O ATOM 852 NE2 GLN A 80 119.996 -8.572 -9.913 1.00 0.00 N ATOM 0 H GLN A 80 118.233 -12.082 -6.059 1.00 0.00 H new ATOM 0 HA GLN A 80 120.446 -10.039 -6.116 1.00 0.00 H new ATOM 0 HB2 GLN A 80 118.324 -10.554 -7.781 1.00 0.00 H new ATOM 0 HB3 GLN A 80 117.488 -9.568 -6.597 1.00 0.00 H new ATOM 0 HG2 GLN A 80 118.282 -7.946 -8.136 1.00 0.00 H new ATOM 0 HG3 GLN A 80 119.498 -7.892 -6.875 1.00 0.00 H new ATOM 0 HE21 GLN A 80 119.176 -8.039 -10.204 1.00 0.00 H new ATOM 0 HE22 GLN A 80 120.705 -8.831 -10.599 1.00 0.00 H new ATOM 861 N ASP A 81 118.382 -10.446 -3.705 1.00 0.00 N ATOM 862 CA ASP A 81 117.983 -9.910 -2.362 1.00 0.00 C ATOM 863 C ASP A 81 117.202 -8.603 -2.517 1.00 0.00 C ATOM 864 O ASP A 81 117.385 -7.671 -1.757 1.00 0.00 O ATOM 865 CB ASP A 81 119.293 -9.654 -1.605 1.00 0.00 C ATOM 866 CG ASP A 81 119.001 -9.460 -0.109 1.00 0.00 C ATOM 867 OD1 ASP A 81 117.865 -9.618 0.314 1.00 0.00 O ATOM 868 OD2 ASP A 81 120.039 -9.110 0.730 1.00 0.00 O ATOM 0 H ASP A 81 118.108 -11.413 -3.878 1.00 0.00 H new ATOM 0 HA ASP A 81 117.339 -10.611 -1.830 1.00 0.00 H new ATOM 0 HB2 ASP A 81 119.975 -10.493 -1.746 1.00 0.00 H new ATOM 0 HB3 ASP A 81 119.788 -8.770 -2.006 1.00 0.00 H new ATOM 874 N LEU A 82 116.339 -8.531 -3.497 1.00 0.00 N ATOM 875 CA LEU A 82 115.554 -7.281 -3.705 1.00 0.00 C ATOM 876 C LEU A 82 114.115 -7.600 -4.120 1.00 0.00 C ATOM 877 O LEU A 82 113.836 -8.607 -4.743 1.00 0.00 O ATOM 878 CB LEU A 82 116.286 -6.528 -4.825 1.00 0.00 C ATOM 879 CG LEU A 82 116.933 -5.260 -4.262 1.00 0.00 C ATOM 880 CD1 LEU A 82 118.345 -5.578 -3.768 1.00 0.00 C ATOM 881 CD2 LEU A 82 117.005 -4.194 -5.357 1.00 0.00 C ATOM 0 H LEU A 82 116.145 -9.282 -4.160 1.00 0.00 H new ATOM 0 HA LEU A 82 115.486 -6.690 -2.791 1.00 0.00 H new ATOM 0 HB2 LEU A 82 117.047 -7.169 -5.269 1.00 0.00 H new ATOM 0 HB3 LEU A 82 115.586 -6.268 -5.619 1.00 0.00 H new ATOM 0 HG LEU A 82 116.334 -4.889 -3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 82 118.803 -4.673 -3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 82 118.295 -6.336 -2.986 1.00 0.00 H new ATOM 0 HD13 LEU A 82 118.945 -5.952 -4.598 1.00 0.00 H new ATOM 0 HD21 LEU A 82 117.466 -3.291 -4.956 1.00 0.00 H new ATOM 0 HD22 LEU A 82 117.602 -4.567 -6.189 1.00 0.00 H new ATOM 0 HD23 LEU A 82 115.999 -3.963 -5.707 1.00 0.00 H new ATOM 893 N VAL A 83 113.212 -6.727 -3.778 1.00 0.00 N ATOM 894 CA VAL A 83 111.772 -6.916 -4.137 1.00 0.00 C ATOM 895 C VAL A 83 111.162 -5.537 -4.394 1.00 0.00 C ATOM 896 O VAL A 83 111.635 -4.548 -3.871 1.00 0.00 O ATOM 897 CB VAL A 83 111.069 -7.620 -2.945 1.00 0.00 C ATOM 898 CG1 VAL A 83 110.991 -9.118 -3.225 1.00 0.00 C ATOM 899 CG2 VAL A 83 111.822 -7.401 -1.620 1.00 0.00 C ATOM 0 H VAL A 83 113.410 -5.874 -3.255 1.00 0.00 H new ATOM 0 HA VAL A 83 111.654 -7.528 -5.031 1.00 0.00 H new ATOM 0 HB VAL A 83 110.073 -7.188 -2.844 1.00 0.00 H new ATOM 0 HG11 VAL A 83 110.498 -9.619 -2.392 1.00 0.00 H new ATOM 0 HG12 VAL A 83 110.421 -9.288 -4.139 1.00 0.00 H new ATOM 0 HG13 VAL A 83 111.998 -9.519 -3.345 1.00 0.00 H new ATOM 0 HG21 VAL A 83 111.295 -7.911 -0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 83 112.832 -7.803 -1.705 1.00 0.00 H new ATOM 0 HG23 VAL A 83 111.873 -6.334 -1.403 1.00 0.00 H new ATOM 909 N GLY A 84 110.139 -5.454 -5.205 1.00 0.00 N ATOM 910 CA GLY A 84 109.537 -4.117 -5.495 1.00 0.00 C ATOM 911 C GLY A 84 108.064 -4.255 -5.868 1.00 0.00 C ATOM 912 O GLY A 84 107.601 -5.307 -6.273 1.00 0.00 O ATOM 0 H GLY A 84 109.698 -6.245 -5.675 1.00 0.00 H new ATOM 0 HA2 GLY A 84 109.637 -3.471 -4.622 1.00 0.00 H new ATOM 0 HA3 GLY A 84 110.080 -3.638 -6.310 1.00 0.00 H new ATOM 916 N TRP A 85 107.330 -3.180 -5.735 1.00 0.00 N ATOM 917 CA TRP A 85 105.876 -3.197 -6.075 1.00 0.00 C ATOM 918 C TRP A 85 105.550 -1.994 -6.965 1.00 0.00 C ATOM 919 O TRP A 85 106.355 -1.094 -7.123 1.00 0.00 O ATOM 920 CB TRP A 85 105.141 -3.085 -4.734 1.00 0.00 C ATOM 921 CG TRP A 85 105.554 -4.202 -3.827 1.00 0.00 C ATOM 922 CD1 TRP A 85 105.241 -5.507 -4.005 1.00 0.00 C ATOM 923 CD2 TRP A 85 106.354 -4.135 -2.611 1.00 0.00 C ATOM 924 NE1 TRP A 85 105.797 -6.243 -2.973 1.00 0.00 N ATOM 925 CE2 TRP A 85 106.492 -5.441 -2.089 1.00 0.00 C ATOM 926 CE3 TRP A 85 106.965 -3.075 -1.919 1.00 0.00 C ATOM 927 CZ2 TRP A 85 107.213 -5.689 -0.919 1.00 0.00 C ATOM 928 CZ3 TRP A 85 107.690 -3.319 -0.742 1.00 0.00 C ATOM 929 CH2 TRP A 85 107.814 -4.623 -0.243 1.00 0.00 C ATOM 0 H TRP A 85 107.680 -2.282 -5.402 1.00 0.00 H new ATOM 0 HA TRP A 85 105.584 -4.098 -6.615 1.00 0.00 H new ATOM 0 HB2 TRP A 85 105.364 -2.126 -4.267 1.00 0.00 H new ATOM 0 HB3 TRP A 85 104.064 -3.118 -4.897 1.00 0.00 H new ATOM 0 HD1 TRP A 85 104.654 -5.908 -4.818 1.00 0.00 H new ATOM 0 HE1 TRP A 85 105.705 -7.254 -2.877 1.00 0.00 H new ATOM 0 HE3 TRP A 85 106.876 -2.067 -2.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 107.306 -6.696 -0.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 108.155 -2.497 -0.218 1.00 0.00 H new ATOM 0 HH2 TRP A 85 108.373 -4.804 0.663 1.00 0.00 H new ATOM 940 N GLN A 86 104.379 -1.973 -7.550 1.00 0.00 N ATOM 941 CA GLN A 86 104.000 -0.829 -8.435 1.00 0.00 C ATOM 942 C GLN A 86 103.810 0.445 -7.609 1.00 0.00 C ATOM 943 O GLN A 86 103.239 0.419 -6.535 1.00 0.00 O ATOM 944 CB GLN A 86 102.679 -1.245 -9.088 1.00 0.00 C ATOM 945 CG GLN A 86 102.964 -1.938 -10.422 1.00 0.00 C ATOM 946 CD GLN A 86 103.053 -0.890 -11.532 1.00 0.00 C ATOM 947 OE1 GLN A 86 102.340 0.093 -11.511 1.00 0.00 O ATOM 948 NE2 GLN A 86 103.905 -1.058 -12.506 1.00 0.00 N ATOM 0 H GLN A 86 103.669 -2.699 -7.453 1.00 0.00 H new ATOM 0 HA GLN A 86 104.770 -0.614 -9.176 1.00 0.00 H new ATOM 0 HB2 GLN A 86 102.130 -1.916 -8.427 1.00 0.00 H new ATOM 0 HB3 GLN A 86 102.049 -0.370 -9.248 1.00 0.00 H new ATOM 0 HG2 GLN A 86 103.897 -2.499 -10.361 1.00 0.00 H new ATOM 0 HG3 GLN A 86 102.175 -2.656 -10.647 1.00 0.00 H new ATOM 0 HE21 GLN A 86 104.504 -1.884 -12.523 1.00 0.00 H new ATOM 0 HE22 GLN A 86 103.972 -0.364 -13.250 1.00 0.00 H new ATOM 957 N ALA A 87 104.285 1.559 -8.106 1.00 0.00 N ATOM 958 CA ALA A 87 104.137 2.844 -7.359 1.00 0.00 C ATOM 959 C ALA A 87 102.796 3.507 -7.709 1.00 0.00 C ATOM 960 O ALA A 87 102.309 3.357 -8.812 1.00 0.00 O ATOM 961 CB ALA A 87 105.304 3.712 -7.830 1.00 0.00 C ATOM 0 H ALA A 87 104.770 1.634 -9.000 1.00 0.00 H new ATOM 0 HA ALA A 87 104.148 2.699 -6.279 1.00 0.00 H new ATOM 0 HB1 ALA A 87 105.266 4.677 -7.325 1.00 0.00 H new ATOM 0 HB2 ALA A 87 106.245 3.216 -7.594 1.00 0.00 H new ATOM 0 HB3 ALA A 87 105.234 3.863 -8.907 1.00 0.00 H new ATOM 967 N PRO A 88 102.230 4.225 -6.760 1.00 0.00 N ATOM 968 CA PRO A 88 100.933 4.902 -7.005 1.00 0.00 C ATOM 969 C PRO A 88 101.128 6.116 -7.933 1.00 0.00 C ATOM 970 O PRO A 88 102.138 6.787 -7.854 1.00 0.00 O ATOM 971 CB PRO A 88 100.488 5.347 -5.615 1.00 0.00 C ATOM 972 CG PRO A 88 101.750 5.463 -4.821 1.00 0.00 C ATOM 973 CD PRO A 88 102.728 4.471 -5.394 1.00 0.00 C ATOM 0 HA PRO A 88 100.201 4.259 -7.494 1.00 0.00 H new ATOM 0 HB2 PRO A 88 99.959 6.299 -5.656 1.00 0.00 H new ATOM 0 HB3 PRO A 88 99.806 4.623 -5.169 1.00 0.00 H new ATOM 0 HG2 PRO A 88 102.150 6.475 -4.879 1.00 0.00 H new ATOM 0 HG3 PRO A 88 101.563 5.254 -3.768 1.00 0.00 H new ATOM 0 HD2 PRO A 88 103.742 4.871 -5.405 1.00 0.00 H new ATOM 0 HD3 PRO A 88 102.754 3.553 -4.808 1.00 0.00 H new ATOM 981 N PRO A 89 100.157 6.366 -8.789 1.00 0.00 N ATOM 982 CA PRO A 89 100.259 7.514 -9.721 1.00 0.00 C ATOM 983 C PRO A 89 99.954 8.826 -8.993 1.00 0.00 C ATOM 984 O PRO A 89 99.344 8.833 -7.940 1.00 0.00 O ATOM 985 CB PRO A 89 99.193 7.222 -10.772 1.00 0.00 C ATOM 986 CG PRO A 89 98.190 6.347 -10.088 1.00 0.00 C ATOM 987 CD PRO A 89 98.897 5.625 -8.972 1.00 0.00 C ATOM 0 HA PRO A 89 101.255 7.626 -10.149 1.00 0.00 H new ATOM 0 HB2 PRO A 89 98.732 8.142 -11.130 1.00 0.00 H new ATOM 0 HB3 PRO A 89 99.623 6.722 -11.640 1.00 0.00 H new ATOM 0 HG2 PRO A 89 97.366 6.944 -9.696 1.00 0.00 H new ATOM 0 HG3 PRO A 89 97.760 5.635 -10.792 1.00 0.00 H new ATOM 0 HD2 PRO A 89 98.301 5.625 -8.059 1.00 0.00 H new ATOM 0 HD3 PRO A 89 99.084 4.583 -9.230 1.00 0.00 H new ATOM 995 N GLY A 90 100.377 9.934 -9.548 1.00 0.00 N ATOM 996 CA GLY A 90 100.118 11.252 -8.896 1.00 0.00 C ATOM 997 C GLY A 90 101.266 11.588 -7.943 1.00 0.00 C ATOM 998 O GLY A 90 101.078 12.261 -6.946 1.00 0.00 O ATOM 0 H GLY A 90 100.892 9.982 -10.427 1.00 0.00 H new ATOM 0 HA2 GLY A 90 100.021 12.030 -9.653 1.00 0.00 H new ATOM 0 HA3 GLY A 90 99.176 11.220 -8.349 1.00 0.00 H new ATOM 1002 N ALA A 91 102.453 11.125 -8.243 1.00 0.00 N ATOM 1003 CA ALA A 91 103.621 11.413 -7.360 1.00 0.00 C ATOM 1004 C ALA A 91 104.917 11.412 -8.176 1.00 0.00 C ATOM 1005 O ALA A 91 104.941 10.984 -9.315 1.00 0.00 O ATOM 1006 CB ALA A 91 103.633 10.277 -6.337 1.00 0.00 C ATOM 0 H ALA A 91 102.663 10.558 -9.065 1.00 0.00 H new ATOM 0 HA ALA A 91 103.546 12.391 -6.885 1.00 0.00 H new ATOM 0 HB1 ALA A 91 104.466 10.416 -5.648 1.00 0.00 H new ATOM 0 HB2 ALA A 91 102.697 10.280 -5.779 1.00 0.00 H new ATOM 0 HB3 ALA A 91 103.745 9.324 -6.853 1.00 0.00 H new ATOM 1012 N ARG A 92 105.993 11.885 -7.600 1.00 0.00 N ATOM 1013 CA ARG A 92 107.294 11.912 -8.334 1.00 0.00 C ATOM 1014 C ARG A 92 108.293 10.956 -7.672 1.00 0.00 C ATOM 1015 O ARG A 92 108.143 10.591 -6.521 1.00 0.00 O ATOM 1016 CB ARG A 92 107.781 13.364 -8.246 1.00 0.00 C ATOM 1017 CG ARG A 92 107.966 13.773 -6.780 1.00 0.00 C ATOM 1018 CD ARG A 92 108.673 15.129 -6.716 1.00 0.00 C ATOM 1019 NE ARG A 92 109.410 15.125 -5.415 1.00 0.00 N ATOM 1020 CZ ARG A 92 110.411 15.954 -5.194 1.00 0.00 C ATOM 1021 NH1 ARG A 92 110.675 16.943 -6.016 1.00 0.00 N ATOM 1022 NH2 ARG A 92 111.154 15.790 -4.134 1.00 0.00 N ATOM 0 H ARG A 92 106.026 12.255 -6.650 1.00 0.00 H new ATOM 0 HA ARG A 92 107.190 11.590 -9.370 1.00 0.00 H new ATOM 0 HB2 ARG A 92 108.723 13.472 -8.783 1.00 0.00 H new ATOM 0 HB3 ARG A 92 107.062 14.026 -8.728 1.00 0.00 H new ATOM 0 HG2 ARG A 92 106.998 13.831 -6.282 1.00 0.00 H new ATOM 0 HG3 ARG A 92 108.551 13.020 -6.252 1.00 0.00 H new ATOM 0 HD2 ARG A 92 109.356 15.257 -7.555 1.00 0.00 H new ATOM 0 HD3 ARG A 92 107.957 15.949 -6.760 1.00 0.00 H new ATOM 0 HE ARG A 92 109.133 14.469 -4.685 1.00 0.00 H new ATOM 0 HH11 ARG A 92 110.100 17.083 -6.847 1.00 0.00 H new ATOM 0 HH12 ARG A 92 111.455 17.572 -5.824 1.00 0.00 H new ATOM 0 HH21 ARG A 92 110.958 15.027 -3.487 1.00 0.00 H new ATOM 0 HH22 ARG A 92 111.931 16.425 -3.953 1.00 0.00 H new ATOM 1036 N SER A 93 109.306 10.546 -8.393 1.00 0.00 N ATOM 1037 CA SER A 93 110.313 9.607 -7.811 1.00 0.00 C ATOM 1038 C SER A 93 111.733 10.139 -8.030 1.00 0.00 C ATOM 1039 O SER A 93 111.942 11.103 -8.740 1.00 0.00 O ATOM 1040 CB SER A 93 110.110 8.295 -8.564 1.00 0.00 C ATOM 1041 OG SER A 93 108.801 7.805 -8.307 1.00 0.00 O ATOM 0 H SER A 93 109.479 10.821 -9.360 1.00 0.00 H new ATOM 0 HA SER A 93 110.187 9.486 -6.735 1.00 0.00 H new ATOM 0 HB2 SER A 93 110.249 8.451 -9.634 1.00 0.00 H new ATOM 0 HB3 SER A 93 110.853 7.563 -8.249 1.00 0.00 H new ATOM 0 HG SER A 93 108.859 6.921 -7.888 1.00 0.00 H new ATOM 1047 N LEU A 94 112.705 9.512 -7.418 1.00 0.00 N ATOM 1048 CA LEU A 94 114.119 9.968 -7.577 1.00 0.00 C ATOM 1049 C LEU A 94 114.711 9.436 -8.882 1.00 0.00 C ATOM 1050 O LEU A 94 114.173 8.535 -9.499 1.00 0.00 O ATOM 1051 CB LEU A 94 114.863 9.376 -6.380 1.00 0.00 C ATOM 1052 CG LEU A 94 115.006 10.437 -5.289 1.00 0.00 C ATOM 1053 CD1 LEU A 94 115.030 9.759 -3.918 1.00 0.00 C ATOM 1054 CD2 LEU A 94 116.311 11.208 -5.498 1.00 0.00 C ATOM 0 H LEU A 94 112.580 8.701 -6.813 1.00 0.00 H new ATOM 0 HA LEU A 94 114.195 11.055 -7.614 1.00 0.00 H new ATOM 0 HB2 LEU A 94 114.321 8.513 -5.993 1.00 0.00 H new ATOM 0 HB3 LEU A 94 115.847 9.023 -6.689 1.00 0.00 H new ATOM 0 HG LEU A 94 114.163 11.126 -5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 94 115.132 10.515 -3.140 1.00 0.00 H new ATOM 0 HD12 LEU A 94 114.102 9.207 -3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 94 115.873 9.070 -3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 94 116.415 11.965 -4.721 1.00 0.00 H new ATOM 0 HD22 LEU A 94 117.153 10.518 -5.447 1.00 0.00 H new ATOM 0 HD23 LEU A 94 116.296 11.691 -6.475 1.00 0.00 H new ATOM 1066 N THR A 95 115.820 9.988 -9.301 1.00 0.00 N ATOM 1067 CA THR A 95 116.467 9.526 -10.563 1.00 0.00 C ATOM 1068 C THR A 95 117.786 8.802 -10.241 1.00 0.00 C ATOM 1069 O THR A 95 118.416 9.097 -9.244 1.00 0.00 O ATOM 1070 CB THR A 95 116.718 10.808 -11.370 1.00 0.00 C ATOM 1071 OG1 THR A 95 117.331 10.477 -12.607 1.00 0.00 O ATOM 1072 CG2 THR A 95 117.627 11.764 -10.587 1.00 0.00 C ATOM 0 H THR A 95 116.307 10.744 -8.819 1.00 0.00 H new ATOM 0 HA THR A 95 115.851 8.819 -11.119 1.00 0.00 H new ATOM 0 HB THR A 95 115.763 11.301 -11.553 1.00 0.00 H new ATOM 0 HG1 THR A 95 117.490 11.295 -13.123 1.00 0.00 H new ATOM 0 HG21 THR A 95 117.795 12.668 -11.173 1.00 0.00 H new ATOM 0 HG22 THR A 95 117.151 12.027 -9.643 1.00 0.00 H new ATOM 0 HG23 THR A 95 118.582 11.277 -10.389 1.00 0.00 H new ATOM 1080 N PRO A 96 118.174 7.876 -11.092 1.00 0.00 N ATOM 1081 CA PRO A 96 119.438 7.129 -10.858 1.00 0.00 C ATOM 1082 C PRO A 96 120.642 8.062 -11.018 1.00 0.00 C ATOM 1083 O PRO A 96 120.756 8.782 -11.992 1.00 0.00 O ATOM 1084 CB PRO A 96 119.425 6.048 -11.938 1.00 0.00 C ATOM 1085 CG PRO A 96 118.546 6.597 -13.014 1.00 0.00 C ATOM 1086 CD PRO A 96 117.503 7.436 -12.326 1.00 0.00 C ATOM 0 HA PRO A 96 119.513 6.710 -9.854 1.00 0.00 H new ATOM 0 HB2 PRO A 96 120.430 5.849 -12.311 1.00 0.00 H new ATOM 0 HB3 PRO A 96 119.036 5.106 -11.551 1.00 0.00 H new ATOM 0 HG2 PRO A 96 119.123 7.196 -13.719 1.00 0.00 H new ATOM 0 HG3 PRO A 96 118.082 5.792 -13.585 1.00 0.00 H new ATOM 0 HD2 PRO A 96 117.199 8.283 -12.941 1.00 0.00 H new ATOM 0 HD3 PRO A 96 116.603 6.860 -12.110 1.00 0.00 H new ATOM 1094 N CYS A 97 121.535 8.055 -10.061 1.00 0.00 N ATOM 1095 CA CYS A 97 122.736 8.946 -10.140 1.00 0.00 C ATOM 1096 C CYS A 97 123.715 8.435 -11.200 1.00 0.00 C ATOM 1097 O CYS A 97 123.865 7.244 -11.394 1.00 0.00 O ATOM 1098 CB CYS A 97 123.373 8.879 -8.751 1.00 0.00 C ATOM 1099 SG CYS A 97 124.400 10.344 -8.487 1.00 0.00 S ATOM 0 H CYS A 97 121.486 7.470 -9.227 1.00 0.00 H new ATOM 0 HA CYS A 97 122.470 9.965 -10.421 1.00 0.00 H new ATOM 0 HB2 CYS A 97 122.598 8.822 -7.986 1.00 0.00 H new ATOM 0 HB3 CYS A 97 123.978 7.977 -8.660 1.00 0.00 H new ATOM 0 HG CYS A 97 125.199 10.138 -7.483 1.00 0.00 H new ATOM 1104 N THR A 98 124.383 9.331 -11.884 1.00 0.00 N ATOM 1105 CA THR A 98 125.358 8.908 -12.932 1.00 0.00 C ATOM 1106 C THR A 98 126.649 9.733 -12.829 1.00 0.00 C ATOM 1107 O THR A 98 126.970 10.510 -13.710 1.00 0.00 O ATOM 1108 CB THR A 98 124.648 9.178 -14.262 1.00 0.00 C ATOM 1109 OG1 THR A 98 123.376 8.546 -14.253 1.00 0.00 O ATOM 1110 CG2 THR A 98 125.488 8.622 -15.414 1.00 0.00 C ATOM 0 H THR A 98 124.294 10.339 -11.760 1.00 0.00 H new ATOM 0 HA THR A 98 125.648 7.862 -12.828 1.00 0.00 H new ATOM 0 HB THR A 98 124.520 10.252 -14.395 1.00 0.00 H new ATOM 0 HG1 THR A 98 122.919 8.719 -15.103 1.00 0.00 H new ATOM 0 HG21 THR A 98 124.982 8.815 -16.360 1.00 0.00 H new ATOM 0 HG22 THR A 98 126.464 9.107 -15.420 1.00 0.00 H new ATOM 0 HG23 THR A 98 125.618 7.548 -15.284 1.00 0.00 H new ATOM 1118 N CYS A 99 127.384 9.574 -11.756 1.00 0.00 N ATOM 1119 CA CYS A 99 128.653 10.357 -11.594 1.00 0.00 C ATOM 1120 C CYS A 99 129.754 9.550 -10.871 1.00 0.00 C ATOM 1121 O CYS A 99 130.886 9.989 -10.795 1.00 0.00 O ATOM 1122 CB CYS A 99 128.259 11.588 -10.766 1.00 0.00 C ATOM 1123 SG CYS A 99 127.600 11.079 -9.154 1.00 0.00 S ATOM 0 H CYS A 99 127.164 8.940 -10.988 1.00 0.00 H new ATOM 0 HA CYS A 99 129.074 10.619 -12.565 1.00 0.00 H new ATOM 0 HB2 CYS A 99 129.127 12.232 -10.625 1.00 0.00 H new ATOM 0 HB3 CYS A 99 127.512 12.172 -11.304 1.00 0.00 H new ATOM 0 HG CYS A 99 126.337 10.794 -9.272 1.00 0.00 H new ATOM 1128 N GLY A 100 129.446 8.385 -10.346 1.00 0.00 N ATOM 1129 CA GLY A 100 130.489 7.576 -9.642 1.00 0.00 C ATOM 1130 C GLY A 100 131.053 8.366 -8.457 1.00 0.00 C ATOM 1131 O GLY A 100 132.249 8.395 -8.236 1.00 0.00 O ATOM 0 H GLY A 100 128.518 7.962 -10.376 1.00 0.00 H new ATOM 0 HA2 GLY A 100 130.059 6.638 -9.292 1.00 0.00 H new ATOM 0 HA3 GLY A 100 131.291 7.320 -10.334 1.00 0.00 H new ATOM 1135 N SER A 101 130.200 9.006 -7.696 1.00 0.00 N ATOM 1136 CA SER A 101 130.685 9.798 -6.522 1.00 0.00 C ATOM 1137 C SER A 101 131.157 8.860 -5.408 1.00 0.00 C ATOM 1138 O SER A 101 130.458 7.944 -5.018 1.00 0.00 O ATOM 1139 CB SER A 101 129.476 10.609 -6.057 1.00 0.00 C ATOM 1140 OG SER A 101 129.894 11.550 -5.077 1.00 0.00 O ATOM 0 H SER A 101 129.190 9.015 -7.836 1.00 0.00 H new ATOM 0 HA SER A 101 131.529 10.437 -6.781 1.00 0.00 H new ATOM 0 HB2 SER A 101 129.022 11.125 -6.903 1.00 0.00 H new ATOM 0 HB3 SER A 101 128.716 9.947 -5.642 1.00 0.00 H new ATOM 0 HG SER A 101 129.652 11.223 -4.185 1.00 0.00 H new ATOM 1146 N SER A 102 132.340 9.088 -4.892 1.00 0.00 N ATOM 1147 CA SER A 102 132.868 8.214 -3.798 1.00 0.00 C ATOM 1148 C SER A 102 132.106 8.476 -2.495 1.00 0.00 C ATOM 1149 O SER A 102 131.797 7.561 -1.753 1.00 0.00 O ATOM 1150 CB SER A 102 134.339 8.603 -3.645 1.00 0.00 C ATOM 1151 OG SER A 102 135.039 8.271 -4.836 1.00 0.00 O ATOM 0 H SER A 102 132.963 9.842 -5.181 1.00 0.00 H new ATOM 0 HA SER A 102 132.751 7.155 -4.028 1.00 0.00 H new ATOM 0 HB2 SER A 102 134.426 9.671 -3.444 1.00 0.00 H new ATOM 0 HB3 SER A 102 134.778 8.082 -2.794 1.00 0.00 H new ATOM 0 HG SER A 102 135.982 8.521 -4.742 1.00 0.00 H new ATOM 1157 N ASP A 103 131.808 9.719 -2.210 1.00 0.00 N ATOM 1158 CA ASP A 103 131.069 10.050 -0.953 1.00 0.00 C ATOM 1159 C ASP A 103 129.573 9.783 -1.130 1.00 0.00 C ATOM 1160 O ASP A 103 128.966 10.221 -2.090 1.00 0.00 O ATOM 1161 CB ASP A 103 131.324 11.540 -0.719 1.00 0.00 C ATOM 1162 CG ASP A 103 132.786 11.758 -0.321 1.00 0.00 C ATOM 1163 OD1 ASP A 103 133.341 10.886 0.329 1.00 0.00 O ATOM 1164 OD2 ASP A 103 133.326 12.795 -0.670 1.00 0.00 O ATOM 0 H ASP A 103 132.045 10.520 -2.795 1.00 0.00 H new ATOM 0 HA ASP A 103 131.401 9.444 -0.110 1.00 0.00 H new ATOM 0 HB2 ASP A 103 131.095 12.104 -1.623 1.00 0.00 H new ATOM 0 HB3 ASP A 103 130.664 11.913 0.065 1.00 0.00 H new ATOM 1169 N LEU A 104 128.976 9.068 -0.210 1.00 0.00 N ATOM 1170 CA LEU A 104 127.517 8.766 -0.315 1.00 0.00 C ATOM 1171 C LEU A 104 126.836 8.944 1.046 1.00 0.00 C ATOM 1172 O LEU A 104 127.449 8.780 2.083 1.00 0.00 O ATOM 1173 CB LEU A 104 127.446 7.303 -0.757 1.00 0.00 C ATOM 1174 CG LEU A 104 128.066 7.156 -2.148 1.00 0.00 C ATOM 1175 CD1 LEU A 104 128.127 5.675 -2.524 1.00 0.00 C ATOM 1176 CD2 LEU A 104 127.209 7.905 -3.170 1.00 0.00 C ATOM 0 H LEU A 104 129.438 8.679 0.612 1.00 0.00 H new ATOM 0 HA LEU A 104 127.010 9.432 -1.014 1.00 0.00 H new ATOM 0 HB2 LEU A 104 127.975 6.671 -0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 104 126.409 6.967 -0.773 1.00 0.00 H new ATOM 0 HG LEU A 104 129.073 7.573 -2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 104 128.569 5.569 -3.515 1.00 0.00 H new ATOM 0 HD12 LEU A 104 128.736 5.140 -1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 104 127.119 5.259 -2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 104 127.650 7.801 -4.161 1.00 0.00 H new ATOM 0 HD22 LEU A 104 126.202 7.488 -3.175 1.00 0.00 H new ATOM 0 HD23 LEU A 104 127.163 8.961 -2.903 1.00 0.00 H new ATOM 1188 N TYR A 105 125.569 9.272 1.046 1.00 0.00 N ATOM 1189 CA TYR A 105 124.834 9.456 2.333 1.00 0.00 C ATOM 1190 C TYR A 105 123.883 8.277 2.559 1.00 0.00 C ATOM 1191 O TYR A 105 123.037 7.988 1.735 1.00 0.00 O ATOM 1192 CB TYR A 105 124.048 10.757 2.163 1.00 0.00 C ATOM 1193 CG TYR A 105 125.005 11.923 2.133 1.00 0.00 C ATOM 1194 CD1 TYR A 105 125.361 12.569 3.324 1.00 0.00 C ATOM 1195 CD2 TYR A 105 125.539 12.358 0.914 1.00 0.00 C ATOM 1196 CE1 TYR A 105 126.251 13.651 3.295 1.00 0.00 C ATOM 1197 CE2 TYR A 105 126.429 13.439 0.885 1.00 0.00 C ATOM 1198 CZ TYR A 105 126.784 14.085 2.075 1.00 0.00 C ATOM 1199 OH TYR A 105 127.661 15.151 2.046 1.00 0.00 O ATOM 0 H TYR A 105 125.010 9.421 0.206 1.00 0.00 H new ATOM 0 HA TYR A 105 125.503 9.500 3.192 1.00 0.00 H new ATOM 0 HB2 TYR A 105 123.467 10.726 1.241 1.00 0.00 H new ATOM 0 HB3 TYR A 105 123.339 10.876 2.982 1.00 0.00 H new ATOM 0 HD1 TYR A 105 124.950 12.233 4.264 1.00 0.00 H new ATOM 0 HD2 TYR A 105 125.265 11.860 -0.004 1.00 0.00 H new ATOM 0 HE1 TYR A 105 126.526 14.150 4.213 1.00 0.00 H new ATOM 0 HE2 TYR A 105 126.841 13.774 -0.055 1.00 0.00 H new ATOM 0 HH TYR A 105 127.937 15.322 1.121 1.00 0.00 H new ATOM 1209 N LEU A 106 124.020 7.594 3.668 1.00 0.00 N ATOM 1210 CA LEU A 106 123.132 6.426 3.951 1.00 0.00 C ATOM 1211 C LEU A 106 122.165 6.755 5.094 1.00 0.00 C ATOM 1212 O LEU A 106 122.533 7.384 6.068 1.00 0.00 O ATOM 1213 CB LEU A 106 124.086 5.298 4.359 1.00 0.00 C ATOM 1214 CG LEU A 106 123.289 4.029 4.679 1.00 0.00 C ATOM 1215 CD1 LEU A 106 122.697 3.455 3.392 1.00 0.00 C ATOM 1216 CD2 LEU A 106 124.217 2.993 5.318 1.00 0.00 C ATOM 0 H LEU A 106 124.711 7.796 4.391 1.00 0.00 H new ATOM 0 HA LEU A 106 122.520 6.154 3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 106 124.794 5.100 3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 106 124.669 5.600 5.229 1.00 0.00 H new ATOM 0 HG LEU A 106 122.482 4.274 5.370 1.00 0.00 H new ATOM 0 HD11 LEU A 106 122.131 2.553 3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 106 122.036 4.192 2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 106 123.502 3.211 2.699 1.00 0.00 H new ATOM 0 HD21 LEU A 106 123.651 2.090 5.546 1.00 0.00 H new ATOM 0 HD22 LEU A 106 125.024 2.751 4.626 1.00 0.00 H new ATOM 0 HD23 LEU A 106 124.638 3.400 6.238 1.00 0.00 H new ATOM 1228 N VAL A 107 120.934 6.322 4.982 1.00 0.00 N ATOM 1229 CA VAL A 107 119.937 6.594 6.063 1.00 0.00 C ATOM 1230 C VAL A 107 119.552 5.286 6.760 1.00 0.00 C ATOM 1231 O VAL A 107 119.418 4.255 6.127 1.00 0.00 O ATOM 1232 CB VAL A 107 118.722 7.220 5.365 1.00 0.00 C ATOM 1233 CG1 VAL A 107 119.127 8.555 4.739 1.00 0.00 C ATOM 1234 CG2 VAL A 107 118.202 6.283 4.267 1.00 0.00 C ATOM 0 H VAL A 107 120.576 5.791 4.188 1.00 0.00 H new ATOM 0 HA VAL A 107 120.336 7.260 6.829 1.00 0.00 H new ATOM 0 HB VAL A 107 117.934 7.380 6.101 1.00 0.00 H new ATOM 0 HG11 VAL A 107 118.265 9.001 4.243 1.00 0.00 H new ATOM 0 HG12 VAL A 107 119.486 9.228 5.518 1.00 0.00 H new ATOM 0 HG13 VAL A 107 119.920 8.389 4.010 1.00 0.00 H new ATOM 0 HG21 VAL A 107 117.340 6.738 3.779 1.00 0.00 H new ATOM 0 HG22 VAL A 107 118.988 6.113 3.531 1.00 0.00 H new ATOM 0 HG23 VAL A 107 117.908 5.331 4.710 1.00 0.00 H new ATOM 1244 N THR A 108 119.381 5.316 8.060 1.00 0.00 N ATOM 1245 CA THR A 108 119.009 4.061 8.795 1.00 0.00 C ATOM 1246 C THR A 108 117.564 4.156 9.293 1.00 0.00 C ATOM 1247 O THR A 108 116.793 4.980 8.839 1.00 0.00 O ATOM 1248 CB THR A 108 119.968 3.941 9.998 1.00 0.00 C ATOM 1249 OG1 THR A 108 119.578 4.863 11.004 1.00 0.00 O ATOM 1250 CG2 THR A 108 121.426 4.211 9.585 1.00 0.00 C ATOM 0 H THR A 108 119.482 6.148 8.642 1.00 0.00 H new ATOM 0 HA THR A 108 119.088 3.191 8.143 1.00 0.00 H new ATOM 0 HB THR A 108 119.910 2.922 10.381 1.00 0.00 H new ATOM 0 HG1 THR A 108 119.389 5.733 10.595 1.00 0.00 H new ATOM 0 HG21 THR A 108 122.074 4.118 10.456 1.00 0.00 H new ATOM 0 HG22 THR A 108 121.730 3.488 8.828 1.00 0.00 H new ATOM 0 HG23 THR A 108 121.508 5.219 9.178 1.00 0.00 H new ATOM 1258 N ARG A 109 117.201 3.320 10.232 1.00 0.00 N ATOM 1259 CA ARG A 109 115.810 3.352 10.779 1.00 0.00 C ATOM 1260 C ARG A 109 115.594 4.621 11.614 1.00 0.00 C ATOM 1261 O ARG A 109 114.477 5.069 11.794 1.00 0.00 O ATOM 1262 CB ARG A 109 115.696 2.105 11.659 1.00 0.00 C ATOM 1263 CG ARG A 109 114.263 1.972 12.177 1.00 0.00 C ATOM 1264 CD ARG A 109 114.164 0.758 13.104 1.00 0.00 C ATOM 1265 NE ARG A 109 114.649 1.246 14.431 1.00 0.00 N ATOM 1266 CZ ARG A 109 114.251 0.683 15.554 1.00 0.00 C ATOM 1267 NH1 ARG A 109 113.578 -0.444 15.555 1.00 0.00 N ATOM 1268 NH2 ARG A 109 114.536 1.257 16.690 1.00 0.00 N ATOM 0 H ARG A 109 117.810 2.614 10.645 1.00 0.00 H new ATOM 0 HA ARG A 109 115.060 3.362 9.989 1.00 0.00 H new ATOM 0 HB2 ARG A 109 115.971 1.218 11.088 1.00 0.00 H new ATOM 0 HB3 ARG A 109 116.391 2.173 12.496 1.00 0.00 H new ATOM 0 HG2 ARG A 109 113.974 2.876 12.713 1.00 0.00 H new ATOM 0 HG3 ARG A 109 113.572 1.862 11.341 1.00 0.00 H new ATOM 0 HD2 ARG A 109 113.139 0.393 13.168 1.00 0.00 H new ATOM 0 HD3 ARG A 109 114.775 -0.068 12.740 1.00 0.00 H new ATOM 0 HE ARG A 109 115.301 2.030 14.468 1.00 0.00 H new ATOM 0 HH11 ARG A 109 113.352 -0.904 14.673 1.00 0.00 H new ATOM 0 HH12 ARG A 109 113.281 -0.860 16.438 1.00 0.00 H new ATOM 0 HH21 ARG A 109 115.061 2.131 16.702 1.00 0.00 H new ATOM 0 HH22 ARG A 109 114.234 0.832 17.566 1.00 0.00 H new ATOM 1282 N HIS A 110 116.654 5.202 12.126 1.00 0.00 N ATOM 1283 CA HIS A 110 116.512 6.440 12.953 1.00 0.00 C ATOM 1284 C HIS A 110 116.631 7.700 12.083 1.00 0.00 C ATOM 1285 O HIS A 110 116.895 8.778 12.579 1.00 0.00 O ATOM 1286 CB HIS A 110 117.664 6.376 13.956 1.00 0.00 C ATOM 1287 CG HIS A 110 117.439 5.236 14.911 1.00 0.00 C ATOM 1288 ND1 HIS A 110 116.701 5.381 16.076 1.00 0.00 N ATOM 1289 CD2 HIS A 110 117.853 3.926 14.890 1.00 0.00 C ATOM 1290 CE1 HIS A 110 116.693 4.190 16.702 1.00 0.00 C ATOM 1291 NE2 HIS A 110 117.380 3.268 16.022 1.00 0.00 N ATOM 0 H HIS A 110 117.611 4.871 12.006 1.00 0.00 H new ATOM 0 HA HIS A 110 115.538 6.492 13.440 1.00 0.00 H new ATOM 0 HB2 HIS A 110 118.610 6.242 13.431 1.00 0.00 H new ATOM 0 HB3 HIS A 110 117.734 7.315 14.505 1.00 0.00 H new ATOM 0 HD2 HIS A 110 118.454 3.475 14.114 1.00 0.00 H new ATOM 0 HE1 HIS A 110 116.192 4.002 17.640 1.00 0.00 H new ATOM 0 HE2 HIS A 110 117.527 2.291 16.277 1.00 0.00 H new ATOM 1299 N ALA A 111 116.436 7.577 10.789 1.00 0.00 N ATOM 1300 CA ALA A 111 116.531 8.768 9.879 1.00 0.00 C ATOM 1301 C ALA A 111 117.875 9.488 10.053 1.00 0.00 C ATOM 1302 O ALA A 111 117.993 10.666 9.773 1.00 0.00 O ATOM 1303 CB ALA A 111 115.374 9.687 10.286 1.00 0.00 C ATOM 0 H ALA A 111 116.214 6.698 10.321 1.00 0.00 H new ATOM 0 HA ALA A 111 116.470 8.475 8.831 1.00 0.00 H new ATOM 0 HB1 ALA A 111 115.382 10.580 9.661 1.00 0.00 H new ATOM 0 HB2 ALA A 111 114.428 9.161 10.156 1.00 0.00 H new ATOM 0 HB3 ALA A 111 115.488 9.975 11.331 1.00 0.00 H new ATOM 1309 N ASP A 112 118.884 8.789 10.505 1.00 0.00 N ATOM 1310 CA ASP A 112 120.223 9.432 10.689 1.00 0.00 C ATOM 1311 C ASP A 112 120.959 9.499 9.346 1.00 0.00 C ATOM 1312 O ASP A 112 120.627 8.787 8.415 1.00 0.00 O ATOM 1313 CB ASP A 112 120.973 8.523 11.674 1.00 0.00 C ATOM 1314 CG ASP A 112 121.113 7.108 11.102 1.00 0.00 C ATOM 1315 OD1 ASP A 112 120.616 6.869 10.012 1.00 0.00 O ATOM 1316 OD2 ASP A 112 121.719 6.282 11.767 1.00 0.00 O ATOM 0 H ASP A 112 118.840 7.801 10.755 1.00 0.00 H new ATOM 0 HA ASP A 112 120.146 10.453 11.063 1.00 0.00 H new ATOM 0 HB2 ASP A 112 121.960 8.937 11.880 1.00 0.00 H new ATOM 0 HB3 ASP A 112 120.438 8.486 12.623 1.00 0.00 H new ATOM 1321 N VAL A 113 121.959 10.338 9.246 1.00 0.00 N ATOM 1322 CA VAL A 113 122.725 10.449 7.969 1.00 0.00 C ATOM 1323 C VAL A 113 124.229 10.334 8.246 1.00 0.00 C ATOM 1324 O VAL A 113 124.753 10.961 9.147 1.00 0.00 O ATOM 1325 CB VAL A 113 122.368 11.832 7.404 1.00 0.00 C ATOM 1326 CG1 VAL A 113 122.781 12.930 8.390 1.00 0.00 C ATOM 1327 CG2 VAL A 113 123.096 12.045 6.074 1.00 0.00 C ATOM 0 H VAL A 113 122.278 10.952 9.996 1.00 0.00 H new ATOM 0 HA VAL A 113 122.477 9.656 7.264 1.00 0.00 H new ATOM 0 HB VAL A 113 121.291 11.881 7.247 1.00 0.00 H new ATOM 0 HG11 VAL A 113 122.523 13.905 7.978 1.00 0.00 H new ATOM 0 HG12 VAL A 113 122.258 12.786 9.335 1.00 0.00 H new ATOM 0 HG13 VAL A 113 123.857 12.881 8.559 1.00 0.00 H new ATOM 0 HG21 VAL A 113 122.842 13.026 5.673 1.00 0.00 H new ATOM 0 HG22 VAL A 113 124.172 11.986 6.235 1.00 0.00 H new ATOM 0 HG23 VAL A 113 122.792 11.274 5.365 1.00 0.00 H new ATOM 1337 N ILE A 114 124.921 9.532 7.478 1.00 0.00 N ATOM 1338 CA ILE A 114 126.390 9.367 7.689 1.00 0.00 C ATOM 1339 C ILE A 114 127.101 9.206 6.331 1.00 0.00 C ATOM 1340 O ILE A 114 126.606 8.514 5.464 1.00 0.00 O ATOM 1341 CB ILE A 114 126.526 8.095 8.539 1.00 0.00 C ATOM 1342 CG1 ILE A 114 128.005 7.829 8.836 1.00 0.00 C ATOM 1343 CG2 ILE A 114 125.935 6.896 7.791 1.00 0.00 C ATOM 1344 CD1 ILE A 114 128.384 8.479 10.168 1.00 0.00 C ATOM 0 H ILE A 114 124.531 8.983 6.712 1.00 0.00 H new ATOM 0 HA ILE A 114 126.844 10.228 8.180 1.00 0.00 H new ATOM 0 HB ILE A 114 125.984 8.236 9.474 1.00 0.00 H new ATOM 0 HG12 ILE A 114 128.191 6.756 8.877 1.00 0.00 H new ATOM 0 HG13 ILE A 114 128.625 8.230 8.034 1.00 0.00 H new ATOM 0 HG21 ILE A 114 126.037 5.999 8.403 1.00 0.00 H new ATOM 0 HG22 ILE A 114 124.880 7.078 7.587 1.00 0.00 H new ATOM 0 HG23 ILE A 114 126.467 6.756 6.850 1.00 0.00 H new ATOM 0 HD11 ILE A 114 129.436 8.289 10.379 1.00 0.00 H new ATOM 0 HD12 ILE A 114 128.213 9.554 10.110 1.00 0.00 H new ATOM 0 HD13 ILE A 114 127.772 8.057 10.966 1.00 0.00 H new ATOM 1356 N PRO A 115 128.242 9.849 6.178 1.00 0.00 N ATOM 1357 CA PRO A 115 128.989 9.750 4.900 1.00 0.00 C ATOM 1358 C PRO A 115 129.649 8.374 4.768 1.00 0.00 C ATOM 1359 O PRO A 115 130.181 7.837 5.721 1.00 0.00 O ATOM 1360 CB PRO A 115 130.043 10.848 5.010 1.00 0.00 C ATOM 1361 CG PRO A 115 130.237 11.057 6.477 1.00 0.00 C ATOM 1362 CD PRO A 115 128.934 10.713 7.151 1.00 0.00 C ATOM 0 HA PRO A 115 128.350 9.866 4.024 1.00 0.00 H new ATOM 0 HB2 PRO A 115 130.974 10.550 4.528 1.00 0.00 H new ATOM 0 HB3 PRO A 115 129.710 11.764 4.522 1.00 0.00 H new ATOM 0 HG2 PRO A 115 131.043 10.426 6.852 1.00 0.00 H new ATOM 0 HG3 PRO A 115 130.517 12.090 6.685 1.00 0.00 H new ATOM 0 HD2 PRO A 115 129.099 10.196 8.096 1.00 0.00 H new ATOM 0 HD3 PRO A 115 128.352 11.607 7.374 1.00 0.00 H new ATOM 1370 N VAL A 116 129.617 7.803 3.591 1.00 0.00 N ATOM 1371 CA VAL A 116 130.240 6.460 3.382 1.00 0.00 C ATOM 1372 C VAL A 116 131.162 6.498 2.158 1.00 0.00 C ATOM 1373 O VAL A 116 130.775 6.948 1.095 1.00 0.00 O ATOM 1374 CB VAL A 116 129.062 5.507 3.149 1.00 0.00 C ATOM 1375 CG1 VAL A 116 129.581 4.084 2.921 1.00 0.00 C ATOM 1376 CG2 VAL A 116 128.142 5.516 4.373 1.00 0.00 C ATOM 0 H VAL A 116 129.184 8.211 2.762 1.00 0.00 H new ATOM 0 HA VAL A 116 130.850 6.145 4.229 1.00 0.00 H new ATOM 0 HB VAL A 116 128.508 5.837 2.270 1.00 0.00 H new ATOM 0 HG11 VAL A 116 128.739 3.412 2.756 1.00 0.00 H new ATOM 0 HG12 VAL A 116 130.233 4.070 2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 116 130.141 3.756 3.797 1.00 0.00 H new ATOM 0 HG21 VAL A 116 127.306 4.838 4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 116 128.701 5.192 5.251 1.00 0.00 H new ATOM 0 HG23 VAL A 116 127.764 6.525 4.536 1.00 0.00 H new ATOM 1386 N ARG A 117 132.375 6.028 2.300 1.00 0.00 N ATOM 1387 CA ARG A 117 133.328 6.034 1.148 1.00 0.00 C ATOM 1388 C ARG A 117 133.067 4.827 0.241 1.00 0.00 C ATOM 1389 O ARG A 117 132.643 3.781 0.696 1.00 0.00 O ATOM 1390 CB ARG A 117 134.717 5.940 1.778 1.00 0.00 C ATOM 1391 CG ARG A 117 135.764 6.436 0.779 1.00 0.00 C ATOM 1392 CD ARG A 117 135.613 7.949 0.594 1.00 0.00 C ATOM 1393 NE ARG A 117 136.920 8.414 0.029 1.00 0.00 N ATOM 1394 CZ ARG A 117 137.164 9.695 -0.160 1.00 0.00 C ATOM 1395 NH1 ARG A 117 136.217 10.597 -0.052 1.00 0.00 N ATOM 1396 NH2 ARG A 117 138.376 10.074 -0.464 1.00 0.00 N ATOM 0 H ARG A 117 132.748 5.639 3.166 1.00 0.00 H new ATOM 0 HA ARG A 117 133.222 6.926 0.530 1.00 0.00 H new ATOM 0 HB2 ARG A 117 134.756 6.537 2.689 1.00 0.00 H new ATOM 0 HB3 ARG A 117 134.930 4.910 2.063 1.00 0.00 H new ATOM 0 HG2 ARG A 117 136.766 6.200 1.138 1.00 0.00 H new ATOM 0 HG3 ARG A 117 135.640 5.927 -0.177 1.00 0.00 H new ATOM 0 HD2 ARG A 117 134.789 8.182 -0.080 1.00 0.00 H new ATOM 0 HD3 ARG A 117 135.398 8.441 1.543 1.00 0.00 H new ATOM 0 HE ARG A 117 137.634 7.727 -0.214 1.00 0.00 H new ATOM 0 HH11 ARG A 117 135.266 10.313 0.183 1.00 0.00 H new ATOM 0 HH12 ARG A 117 136.432 11.583 -0.203 1.00 0.00 H new ATOM 0 HH21 ARG A 117 139.120 9.382 -0.552 1.00 0.00 H new ATOM 0 HH22 ARG A 117 138.579 11.062 -0.613 1.00 0.00 H new ATOM 1410 N ARG A 118 133.315 4.970 -1.035 1.00 0.00 N ATOM 1411 CA ARG A 118 133.082 3.837 -1.981 1.00 0.00 C ATOM 1412 C ARG A 118 134.285 2.889 -1.984 1.00 0.00 C ATOM 1413 O ARG A 118 135.423 3.318 -1.994 1.00 0.00 O ATOM 1414 CB ARG A 118 132.916 4.493 -3.353 1.00 0.00 C ATOM 1415 CG ARG A 118 132.446 3.447 -4.365 1.00 0.00 C ATOM 1416 CD ARG A 118 132.304 4.098 -5.743 1.00 0.00 C ATOM 1417 NE ARG A 118 133.700 4.205 -6.273 1.00 0.00 N ATOM 1418 CZ ARG A 118 133.930 4.476 -7.541 1.00 0.00 C ATOM 1419 NH1 ARG A 118 132.966 4.857 -8.347 1.00 0.00 N ATOM 1420 NH2 ARG A 118 135.144 4.365 -8.008 1.00 0.00 N ATOM 0 H ARG A 118 133.670 5.825 -1.464 1.00 0.00 H new ATOM 0 HA ARG A 118 132.211 3.243 -1.703 1.00 0.00 H new ATOM 0 HB2 ARG A 118 132.194 5.307 -3.294 1.00 0.00 H new ATOM 0 HB3 ARG A 118 133.861 4.928 -3.677 1.00 0.00 H new ATOM 0 HG2 ARG A 118 133.159 2.624 -4.411 1.00 0.00 H new ATOM 0 HG3 ARG A 118 131.492 3.024 -4.051 1.00 0.00 H new ATOM 0 HD2 ARG A 118 131.678 3.495 -6.401 1.00 0.00 H new ATOM 0 HD3 ARG A 118 131.835 5.079 -5.668 1.00 0.00 H new ATOM 0 HE ARG A 118 134.488 4.065 -5.640 1.00 0.00 H new ATOM 0 HH11 ARG A 118 132.013 4.949 -7.995 1.00 0.00 H new ATOM 0 HH12 ARG A 118 133.170 5.061 -9.325 1.00 0.00 H new ATOM 0 HH21 ARG A 118 135.902 4.071 -7.392 1.00 0.00 H new ATOM 0 HH22 ARG A 118 135.334 4.572 -8.988 1.00 0.00 H new ATOM 1434 N ARG A 119 134.037 1.604 -1.977 1.00 0.00 N ATOM 1435 CA ARG A 119 135.158 0.617 -1.982 1.00 0.00 C ATOM 1436 C ARG A 119 134.811 -0.580 -2.873 1.00 0.00 C ATOM 1437 O ARG A 119 135.305 -1.673 -2.673 1.00 0.00 O ATOM 1438 CB ARG A 119 135.305 0.175 -0.526 1.00 0.00 C ATOM 1439 CG ARG A 119 136.249 1.130 0.207 1.00 0.00 C ATOM 1440 CD ARG A 119 137.686 0.889 -0.262 1.00 0.00 C ATOM 1441 NE ARG A 119 138.541 1.265 0.905 1.00 0.00 N ATOM 1442 CZ ARG A 119 138.734 0.435 1.910 1.00 0.00 C ATOM 1443 NH1 ARG A 119 138.035 -0.671 2.028 1.00 0.00 N ATOM 1444 NH2 ARG A 119 139.637 0.718 2.807 1.00 0.00 N ATOM 0 H ARG A 119 133.103 1.195 -1.968 1.00 0.00 H new ATOM 0 HA ARG A 119 136.080 1.046 -2.374 1.00 0.00 H new ATOM 0 HB2 ARG A 119 134.330 0.165 -0.038 1.00 0.00 H new ATOM 0 HB3 ARG A 119 135.694 -0.842 -0.482 1.00 0.00 H new ATOM 0 HG2 ARG A 119 135.961 2.163 0.013 1.00 0.00 H new ATOM 0 HG3 ARG A 119 136.176 0.975 1.283 1.00 0.00 H new ATOM 0 HD2 ARG A 119 137.840 -0.152 -0.545 1.00 0.00 H new ATOM 0 HD3 ARG A 119 137.923 1.495 -1.137 1.00 0.00 H new ATOM 0 HE ARG A 119 138.984 2.183 0.924 1.00 0.00 H new ATOM 0 HH11 ARG A 119 137.325 -0.902 1.333 1.00 0.00 H new ATOM 0 HH12 ARG A 119 138.202 -1.298 2.815 1.00 0.00 H new ATOM 0 HH21 ARG A 119 140.185 1.574 2.726 1.00 0.00 H new ATOM 0 HH22 ARG A 119 139.795 0.083 3.589 1.00 0.00 H new ATOM 1458 N GLY A 120 133.964 -0.380 -3.854 1.00 0.00 N ATOM 1459 CA GLY A 120 133.584 -1.505 -4.759 1.00 0.00 C ATOM 1460 C GLY A 120 132.289 -1.156 -5.496 1.00 0.00 C ATOM 1461 O GLY A 120 131.646 -0.165 -5.203 1.00 0.00 O ATOM 0 H GLY A 120 133.521 0.514 -4.065 1.00 0.00 H new ATOM 0 HA2 GLY A 120 134.383 -1.694 -5.476 1.00 0.00 H new ATOM 0 HA3 GLY A 120 133.451 -2.420 -4.182 1.00 0.00 H new ATOM 1465 N ASP A 121 131.903 -1.966 -6.449 1.00 0.00 N ATOM 1466 CA ASP A 121 130.648 -1.689 -7.213 1.00 0.00 C ATOM 1467 C ASP A 121 129.419 -1.944 -6.334 1.00 0.00 C ATOM 1468 O ASP A 121 128.495 -1.156 -6.304 1.00 0.00 O ATOM 1469 CB ASP A 121 130.673 -2.666 -8.392 1.00 0.00 C ATOM 1470 CG ASP A 121 131.770 -2.255 -9.377 1.00 0.00 C ATOM 1471 OD1 ASP A 121 132.017 -1.067 -9.501 1.00 0.00 O ATOM 1472 OD2 ASP A 121 132.346 -3.138 -9.992 1.00 0.00 O ATOM 0 H ASP A 121 132.403 -2.809 -6.732 1.00 0.00 H new ATOM 0 HA ASP A 121 130.592 -0.652 -7.543 1.00 0.00 H new ATOM 0 HB2 ASP A 121 130.853 -3.679 -8.034 1.00 0.00 H new ATOM 0 HB3 ASP A 121 129.705 -2.672 -8.893 1.00 0.00 H new ATOM 1477 N SER A 122 129.407 -3.043 -5.619 1.00 0.00 N ATOM 1478 CA SER A 122 128.240 -3.356 -4.739 1.00 0.00 C ATOM 1479 C SER A 122 128.666 -3.396 -3.266 1.00 0.00 C ATOM 1480 O SER A 122 127.986 -3.971 -2.436 1.00 0.00 O ATOM 1481 CB SER A 122 127.761 -4.735 -5.191 1.00 0.00 C ATOM 1482 OG SER A 122 128.839 -5.659 -5.104 1.00 0.00 O ATOM 0 H SER A 122 130.155 -3.736 -5.608 1.00 0.00 H new ATOM 0 HA SER A 122 127.458 -2.601 -4.819 1.00 0.00 H new ATOM 0 HB2 SER A 122 126.931 -5.067 -4.567 1.00 0.00 H new ATOM 0 HB3 SER A 122 127.390 -4.686 -6.215 1.00 0.00 H new ATOM 0 HG SER A 122 128.534 -6.545 -5.392 1.00 0.00 H new ATOM 1488 N ARG A 123 129.780 -2.790 -2.935 1.00 0.00 N ATOM 1489 CA ARG A 123 130.244 -2.791 -1.516 1.00 0.00 C ATOM 1490 C ARG A 123 130.993 -1.492 -1.209 1.00 0.00 C ATOM 1491 O ARG A 123 131.694 -0.958 -2.048 1.00 0.00 O ATOM 1492 CB ARG A 123 131.183 -3.992 -1.403 1.00 0.00 C ATOM 1493 CG ARG A 123 131.521 -4.233 0.070 1.00 0.00 C ATOM 1494 CD ARG A 123 132.040 -5.663 0.251 1.00 0.00 C ATOM 1495 NE ARG A 123 133.516 -5.582 0.016 1.00 0.00 N ATOM 1496 CZ ARG A 123 134.256 -6.670 -0.063 1.00 0.00 C ATOM 1497 NH1 ARG A 123 133.777 -7.850 0.256 1.00 0.00 N ATOM 1498 NH2 ARG A 123 135.495 -6.571 -0.462 1.00 0.00 N ATOM 0 H ARG A 123 130.387 -2.295 -3.588 1.00 0.00 H new ATOM 0 HA ARG A 123 129.416 -2.858 -0.810 1.00 0.00 H new ATOM 0 HB2 ARG A 123 130.712 -4.878 -1.830 1.00 0.00 H new ATOM 0 HB3 ARG A 123 132.095 -3.810 -1.972 1.00 0.00 H new ATOM 0 HG2 ARG A 123 132.273 -3.518 0.403 1.00 0.00 H new ATOM 0 HG3 ARG A 123 130.636 -4.076 0.687 1.00 0.00 H new ATOM 0 HD2 ARG A 123 131.821 -6.037 1.251 1.00 0.00 H new ATOM 0 HD3 ARG A 123 131.566 -6.345 -0.455 1.00 0.00 H new ATOM 0 HE ARG A 123 133.957 -4.668 -0.085 1.00 0.00 H new ATOM 0 HH11 ARG A 123 132.812 -7.940 0.574 1.00 0.00 H new ATOM 0 HH12 ARG A 123 134.370 -8.677 0.186 1.00 0.00 H new ATOM 0 HH21 ARG A 123 135.880 -5.659 -0.708 1.00 0.00 H new ATOM 0 HH22 ARG A 123 136.078 -7.405 -0.527 1.00 0.00 H new ATOM 1512 N GLY A 124 130.848 -0.982 -0.013 1.00 0.00 N ATOM 1513 CA GLY A 124 131.548 0.282 0.356 1.00 0.00 C ATOM 1514 C GLY A 124 132.074 0.175 1.787 1.00 0.00 C ATOM 1515 O GLY A 124 131.975 -0.860 2.418 1.00 0.00 O ATOM 0 H GLY A 124 130.273 -1.389 0.725 1.00 0.00 H new ATOM 0 HA2 GLY A 124 132.372 0.468 -0.333 1.00 0.00 H new ATOM 0 HA3 GLY A 124 130.865 1.127 0.271 1.00 0.00 H new ATOM 1519 N SER A 125 132.633 1.241 2.301 1.00 0.00 N ATOM 1520 CA SER A 125 133.171 1.213 3.694 1.00 0.00 C ATOM 1521 C SER A 125 132.453 2.255 4.554 1.00 0.00 C ATOM 1522 O SER A 125 132.052 3.299 4.075 1.00 0.00 O ATOM 1523 CB SER A 125 134.653 1.559 3.554 1.00 0.00 C ATOM 1524 OG SER A 125 134.784 2.801 2.873 1.00 0.00 O ATOM 0 H SER A 125 132.740 2.131 1.815 1.00 0.00 H new ATOM 0 HA SER A 125 133.025 0.247 4.176 1.00 0.00 H new ATOM 0 HB2 SER A 125 135.118 1.620 4.538 1.00 0.00 H new ATOM 0 HB3 SER A 125 135.171 0.773 3.004 1.00 0.00 H new ATOM 0 HG SER A 125 135.734 3.026 2.783 1.00 0.00 H new ATOM 1530 N LEU A 126 132.287 1.974 5.821 1.00 0.00 N ATOM 1531 CA LEU A 126 131.593 2.940 6.724 1.00 0.00 C ATOM 1532 C LEU A 126 132.618 3.822 7.443 1.00 0.00 C ATOM 1533 O LEU A 126 133.586 3.335 7.997 1.00 0.00 O ATOM 1534 CB LEU A 126 130.837 2.067 7.726 1.00 0.00 C ATOM 1535 CG LEU A 126 129.950 2.949 8.605 1.00 0.00 C ATOM 1536 CD1 LEU A 126 128.831 3.555 7.756 1.00 0.00 C ATOM 1537 CD2 LEU A 126 129.338 2.099 9.721 1.00 0.00 C ATOM 0 H LEU A 126 132.603 1.115 6.270 1.00 0.00 H new ATOM 0 HA LEU A 126 130.926 3.610 6.181 1.00 0.00 H new ATOM 0 HB2 LEU A 126 130.228 1.333 7.198 1.00 0.00 H new ATOM 0 HB3 LEU A 126 131.542 1.511 8.344 1.00 0.00 H new ATOM 0 HG LEU A 126 130.549 3.749 9.040 1.00 0.00 H new ATOM 0 HD11 LEU A 126 128.199 4.184 8.383 1.00 0.00 H new ATOM 0 HD12 LEU A 126 129.265 4.158 6.958 1.00 0.00 H new ATOM 0 HD13 LEU A 126 128.231 2.756 7.321 1.00 0.00 H new ATOM 0 HD21 LEU A 126 128.705 2.725 10.350 1.00 0.00 H new ATOM 0 HD22 LEU A 126 128.739 1.301 9.283 1.00 0.00 H new ATOM 0 HD23 LEU A 126 130.134 1.665 10.326 1.00 0.00 H new ATOM 1549 N LEU A 127 132.411 5.113 7.434 1.00 0.00 N ATOM 1550 CA LEU A 127 133.372 6.038 8.113 1.00 0.00 C ATOM 1551 C LEU A 127 133.406 5.756 9.618 1.00 0.00 C ATOM 1552 O LEU A 127 134.454 5.518 10.189 1.00 0.00 O ATOM 1553 CB LEU A 127 132.836 7.446 7.846 1.00 0.00 C ATOM 1554 CG LEU A 127 133.988 8.455 7.921 1.00 0.00 C ATOM 1555 CD1 LEU A 127 133.809 9.516 6.835 1.00 0.00 C ATOM 1556 CD2 LEU A 127 133.989 9.130 9.295 1.00 0.00 C ATOM 0 H LEU A 127 131.617 5.569 6.985 1.00 0.00 H new ATOM 0 HA LEU A 127 134.389 5.914 7.741 1.00 0.00 H new ATOM 0 HB2 LEU A 127 132.366 7.487 6.863 1.00 0.00 H new ATOM 0 HB3 LEU A 127 132.069 7.699 8.578 1.00 0.00 H new ATOM 0 HG LEU A 127 134.934 7.935 7.770 1.00 0.00 H new ATOM 0 HD11 LEU A 127 134.628 10.233 6.889 1.00 0.00 H new ATOM 0 HD12 LEU A 127 133.809 9.038 5.856 1.00 0.00 H new ATOM 0 HD13 LEU A 127 132.862 10.035 6.986 1.00 0.00 H new ATOM 0 HD21 LEU A 127 134.808 9.847 9.348 1.00 0.00 H new ATOM 0 HD22 LEU A 127 133.042 9.649 9.446 1.00 0.00 H new ATOM 0 HD23 LEU A 127 134.117 8.375 10.071 1.00 0.00 H new ATOM 1568 N SER A 128 132.266 5.782 10.264 1.00 0.00 N ATOM 1569 CA SER A 128 132.224 5.516 11.733 1.00 0.00 C ATOM 1570 C SER A 128 131.868 4.042 11.995 1.00 0.00 C ATOM 1571 O SER A 128 130.908 3.544 11.440 1.00 0.00 O ATOM 1572 CB SER A 128 131.125 6.434 12.268 1.00 0.00 C ATOM 1573 OG SER A 128 131.553 7.786 12.167 1.00 0.00 O ATOM 0 H SER A 128 131.361 5.977 9.835 1.00 0.00 H new ATOM 0 HA SER A 128 133.184 5.702 12.215 1.00 0.00 H new ATOM 0 HB2 SER A 128 130.205 6.288 11.701 1.00 0.00 H new ATOM 0 HB3 SER A 128 130.902 6.187 13.306 1.00 0.00 H new ATOM 0 HG SER A 128 130.850 8.378 12.508 1.00 0.00 H new ATOM 1579 N PRO A 129 132.645 3.376 12.829 1.00 0.00 N ATOM 1580 CA PRO A 129 132.371 1.956 13.130 1.00 0.00 C ATOM 1581 C PRO A 129 131.271 1.830 14.188 1.00 0.00 C ATOM 1582 O PRO A 129 131.436 2.251 15.319 1.00 0.00 O ATOM 1583 CB PRO A 129 133.698 1.436 13.665 1.00 0.00 C ATOM 1584 CG PRO A 129 134.408 2.635 14.212 1.00 0.00 C ATOM 1585 CD PRO A 129 133.824 3.863 13.557 1.00 0.00 C ATOM 0 HA PRO A 129 132.020 1.399 12.261 1.00 0.00 H new ATOM 0 HB2 PRO A 129 133.541 0.686 14.440 1.00 0.00 H new ATOM 0 HB3 PRO A 129 134.281 0.962 12.875 1.00 0.00 H new ATOM 0 HG2 PRO A 129 134.289 2.687 15.294 1.00 0.00 H new ATOM 0 HG3 PRO A 129 135.477 2.569 14.012 1.00 0.00 H new ATOM 0 HD2 PRO A 129 133.549 4.614 14.298 1.00 0.00 H new ATOM 0 HD3 PRO A 129 134.541 4.330 12.882 1.00 0.00 H new ATOM 1593 N ARG A 130 130.155 1.247 13.831 1.00 0.00 N ATOM 1594 CA ARG A 130 129.041 1.081 14.813 1.00 0.00 C ATOM 1595 C ARG A 130 128.638 -0.400 14.897 1.00 0.00 C ATOM 1596 O ARG A 130 128.811 -1.132 13.946 1.00 0.00 O ATOM 1597 CB ARG A 130 127.889 1.923 14.260 1.00 0.00 C ATOM 1598 CG ARG A 130 128.324 3.388 14.165 1.00 0.00 C ATOM 1599 CD ARG A 130 127.099 4.296 14.290 1.00 0.00 C ATOM 1600 NE ARG A 130 126.407 4.198 12.968 1.00 0.00 N ATOM 1601 CZ ARG A 130 126.933 4.720 11.877 1.00 0.00 C ATOM 1602 NH1 ARG A 130 127.977 5.514 11.930 1.00 0.00 N ATOM 1603 NH2 ARG A 130 126.401 4.444 10.718 1.00 0.00 N ATOM 0 H ARG A 130 129.967 0.878 12.899 1.00 0.00 H new ATOM 0 HA ARG A 130 129.322 1.396 15.818 1.00 0.00 H new ATOM 0 HB2 ARG A 130 127.596 1.556 13.277 1.00 0.00 H new ATOM 0 HB3 ARG A 130 127.016 1.833 14.907 1.00 0.00 H new ATOM 0 HG2 ARG A 130 129.041 3.617 14.954 1.00 0.00 H new ATOM 0 HG3 ARG A 130 128.827 3.568 13.215 1.00 0.00 H new ATOM 0 HD2 ARG A 130 126.448 3.971 15.101 1.00 0.00 H new ATOM 0 HD3 ARG A 130 127.390 5.324 14.508 1.00 0.00 H new ATOM 0 HE ARG A 130 125.509 3.717 12.909 1.00 0.00 H new ATOM 0 HH11 ARG A 130 128.401 5.740 12.830 1.00 0.00 H new ATOM 0 HH12 ARG A 130 128.365 5.905 11.071 1.00 0.00 H new ATOM 0 HH21 ARG A 130 125.588 3.831 10.663 1.00 0.00 H new ATOM 0 HH22 ARG A 130 126.798 4.841 9.867 1.00 0.00 H new ATOM 1617 N PRO A 131 128.116 -0.803 16.034 1.00 0.00 N ATOM 1618 CA PRO A 131 127.704 -2.220 16.211 1.00 0.00 C ATOM 1619 C PRO A 131 126.465 -2.535 15.366 1.00 0.00 C ATOM 1620 O PRO A 131 125.641 -1.675 15.117 1.00 0.00 O ATOM 1621 CB PRO A 131 127.389 -2.323 17.702 1.00 0.00 C ATOM 1622 CG PRO A 131 127.049 -0.929 18.120 1.00 0.00 C ATOM 1623 CD PRO A 131 127.854 -0.005 17.246 1.00 0.00 C ATOM 0 HA PRO A 131 128.470 -2.927 15.893 1.00 0.00 H new ATOM 0 HB2 PRO A 131 126.558 -3.004 17.884 1.00 0.00 H new ATOM 0 HB3 PRO A 131 128.243 -2.706 18.261 1.00 0.00 H new ATOM 0 HG2 PRO A 131 125.982 -0.740 18.003 1.00 0.00 H new ATOM 0 HG3 PRO A 131 127.287 -0.772 19.172 1.00 0.00 H new ATOM 0 HD2 PRO A 131 127.303 0.906 17.013 1.00 0.00 H new ATOM 0 HD3 PRO A 131 128.781 0.299 17.733 1.00 0.00 H new ATOM 1631 N VAL A 132 126.324 -3.767 14.929 1.00 0.00 N ATOM 1632 CA VAL A 132 125.130 -4.149 14.103 1.00 0.00 C ATOM 1633 C VAL A 132 123.838 -3.769 14.851 1.00 0.00 C ATOM 1634 O VAL A 132 122.840 -3.444 14.243 1.00 0.00 O ATOM 1635 CB VAL A 132 125.242 -5.682 13.913 1.00 0.00 C ATOM 1636 CG1 VAL A 132 123.943 -6.264 13.320 1.00 0.00 C ATOM 1637 CG2 VAL A 132 126.414 -5.998 12.966 1.00 0.00 C ATOM 0 H VAL A 132 126.984 -4.524 15.109 1.00 0.00 H new ATOM 0 HA VAL A 132 125.100 -3.635 13.142 1.00 0.00 H new ATOM 0 HB VAL A 132 125.413 -6.135 14.889 1.00 0.00 H new ATOM 0 HG11 VAL A 132 124.050 -7.342 13.197 1.00 0.00 H new ATOM 0 HG12 VAL A 132 123.111 -6.056 13.993 1.00 0.00 H new ATOM 0 HG13 VAL A 132 123.749 -5.806 12.350 1.00 0.00 H new ATOM 0 HG21 VAL A 132 126.493 -7.077 12.832 1.00 0.00 H new ATOM 0 HG22 VAL A 132 126.239 -5.524 12.000 1.00 0.00 H new ATOM 0 HG23 VAL A 132 127.341 -5.617 13.394 1.00 0.00 H new ATOM 1647 N SER A 133 123.863 -3.816 16.160 1.00 0.00 N ATOM 1648 CA SER A 133 122.640 -3.470 16.954 1.00 0.00 C ATOM 1649 C SER A 133 122.189 -2.032 16.674 1.00 0.00 C ATOM 1650 O SER A 133 121.008 -1.761 16.562 1.00 0.00 O ATOM 1651 CB SER A 133 123.056 -3.619 18.418 1.00 0.00 C ATOM 1652 OG SER A 133 121.929 -3.386 19.252 1.00 0.00 O ATOM 0 H SER A 133 124.677 -4.079 16.715 1.00 0.00 H new ATOM 0 HA SER A 133 121.800 -4.115 16.695 1.00 0.00 H new ATOM 0 HB2 SER A 133 123.454 -4.618 18.595 1.00 0.00 H new ATOM 0 HB3 SER A 133 123.851 -2.913 18.656 1.00 0.00 H new ATOM 0 HG SER A 133 122.192 -3.482 20.191 1.00 0.00 H new ATOM 1658 N TYR A 134 123.113 -1.111 16.560 1.00 0.00 N ATOM 1659 CA TYR A 134 122.727 0.308 16.285 1.00 0.00 C ATOM 1660 C TYR A 134 122.168 0.424 14.867 1.00 0.00 C ATOM 1661 O TYR A 134 121.209 1.129 14.618 1.00 0.00 O ATOM 1662 CB TYR A 134 124.023 1.113 16.422 1.00 0.00 C ATOM 1663 CG TYR A 134 123.730 2.581 16.224 1.00 0.00 C ATOM 1664 CD1 TYR A 134 123.117 3.319 17.244 1.00 0.00 C ATOM 1665 CD2 TYR A 134 124.074 3.201 15.020 1.00 0.00 C ATOM 1666 CE1 TYR A 134 122.848 4.680 17.055 1.00 0.00 C ATOM 1667 CE2 TYR A 134 123.805 4.560 14.830 1.00 0.00 C ATOM 1668 CZ TYR A 134 123.192 5.302 15.848 1.00 0.00 C ATOM 1669 OH TYR A 134 122.927 6.643 15.661 1.00 0.00 O ATOM 0 H TYR A 134 124.115 -1.279 16.645 1.00 0.00 H new ATOM 0 HA TYR A 134 121.957 0.670 16.967 1.00 0.00 H new ATOM 0 HB2 TYR A 134 124.463 0.949 17.406 1.00 0.00 H new ATOM 0 HB3 TYR A 134 124.753 0.775 15.686 1.00 0.00 H new ATOM 0 HD1 TYR A 134 122.852 2.839 18.175 1.00 0.00 H new ATOM 0 HD2 TYR A 134 124.548 2.630 14.235 1.00 0.00 H new ATOM 0 HE1 TYR A 134 122.375 5.251 17.840 1.00 0.00 H new ATOM 0 HE2 TYR A 134 124.070 5.038 13.898 1.00 0.00 H new ATOM 0 HH TYR A 134 123.230 6.915 14.770 1.00 0.00 H new ATOM 1679 N LEU A 135 122.769 -0.273 13.943 1.00 0.00 N ATOM 1680 CA LEU A 135 122.301 -0.232 12.528 1.00 0.00 C ATOM 1681 C LEU A 135 121.337 -1.398 12.254 1.00 0.00 C ATOM 1682 O LEU A 135 121.118 -1.770 11.118 1.00 0.00 O ATOM 1683 CB LEU A 135 123.586 -0.386 11.708 1.00 0.00 C ATOM 1684 CG LEU A 135 123.325 -0.057 10.232 1.00 0.00 C ATOM 1685 CD1 LEU A 135 122.873 1.398 10.092 1.00 0.00 C ATOM 1686 CD2 LEU A 135 124.617 -0.260 9.436 1.00 0.00 C ATOM 0 H LEU A 135 123.574 -0.877 14.110 1.00 0.00 H new ATOM 0 HA LEU A 135 121.759 0.682 12.285 1.00 0.00 H new ATOM 0 HB2 LEU A 135 124.358 0.275 12.103 1.00 0.00 H new ATOM 0 HB3 LEU A 135 123.962 -1.405 11.798 1.00 0.00 H new ATOM 0 HG LEU A 135 122.543 -0.714 9.851 1.00 0.00 H new ATOM 0 HD11 LEU A 135 122.690 1.623 9.041 1.00 0.00 H new ATOM 0 HD12 LEU A 135 121.956 1.550 10.661 1.00 0.00 H new ATOM 0 HD13 LEU A 135 123.651 2.059 10.474 1.00 0.00 H new ATOM 0 HD21 LEU A 135 124.438 -0.028 8.386 1.00 0.00 H new ATOM 0 HD22 LEU A 135 125.392 0.399 9.826 1.00 0.00 H new ATOM 0 HD23 LEU A 135 124.942 -1.296 9.528 1.00 0.00 H new ATOM 1698 N LYS A 136 120.775 -1.992 13.284 1.00 0.00 N ATOM 1699 CA LYS A 136 119.853 -3.144 13.059 1.00 0.00 C ATOM 1700 C LYS A 136 118.448 -2.699 12.739 1.00 0.00 C ATOM 1701 O LYS A 136 117.773 -2.049 13.514 1.00 0.00 O ATOM 1702 CB LYS A 136 119.910 -3.997 14.331 1.00 0.00 C ATOM 1703 CG LYS A 136 120.026 -5.480 13.948 1.00 0.00 C ATOM 1704 CD LYS A 136 119.027 -6.307 14.758 1.00 0.00 C ATOM 1705 CE LYS A 136 118.504 -7.457 13.895 1.00 0.00 C ATOM 1706 NZ LYS A 136 118.063 -8.496 14.866 1.00 0.00 N ATOM 0 H LYS A 136 120.916 -1.729 14.259 1.00 0.00 H new ATOM 0 HA LYS A 136 120.166 -3.722 12.189 1.00 0.00 H new ATOM 0 HB2 LYS A 136 120.762 -3.701 14.943 1.00 0.00 H new ATOM 0 HB3 LYS A 136 119.015 -3.834 14.931 1.00 0.00 H new ATOM 0 HG2 LYS A 136 119.835 -5.605 12.882 1.00 0.00 H new ATOM 0 HG3 LYS A 136 121.040 -5.834 14.134 1.00 0.00 H new ATOM 0 HD2 LYS A 136 119.505 -6.699 15.655 1.00 0.00 H new ATOM 0 HD3 LYS A 136 118.199 -5.678 15.087 1.00 0.00 H new ATOM 0 HE2 LYS A 136 117.678 -7.132 13.262 1.00 0.00 H new ATOM 0 HE3 LYS A 136 119.281 -7.839 13.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 117.691 -9.318 14.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 118.871 -8.791 15.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 117.318 -8.106 15.478 1.00 0.00 H new ATOM 1720 N GLY A 137 118.019 -3.070 11.565 1.00 0.00 N ATOM 1721 CA GLY A 137 116.644 -2.701 11.117 1.00 0.00 C ATOM 1722 C GLY A 137 116.709 -1.506 10.166 1.00 0.00 C ATOM 1723 O GLY A 137 115.764 -0.749 10.047 1.00 0.00 O ATOM 0 H GLY A 137 118.561 -3.614 10.894 1.00 0.00 H new ATOM 0 HA2 GLY A 137 116.175 -3.549 10.618 1.00 0.00 H new ATOM 0 HA3 GLY A 137 116.024 -2.457 11.980 1.00 0.00 H new ATOM 1727 N SER A 138 117.814 -1.333 9.487 1.00 0.00 N ATOM 1728 CA SER A 138 117.942 -0.190 8.538 1.00 0.00 C ATOM 1729 C SER A 138 117.953 -0.690 7.089 1.00 0.00 C ATOM 1730 O SER A 138 118.410 0.001 6.198 1.00 0.00 O ATOM 1731 CB SER A 138 119.275 0.468 8.887 1.00 0.00 C ATOM 1732 OG SER A 138 120.262 -0.540 9.072 1.00 0.00 O ATOM 0 H SER A 138 118.634 -1.936 9.550 1.00 0.00 H new ATOM 0 HA SER A 138 117.107 0.506 8.622 1.00 0.00 H new ATOM 0 HB2 SER A 138 119.578 1.148 8.091 1.00 0.00 H new ATOM 0 HB3 SER A 138 119.173 1.064 9.794 1.00 0.00 H new ATOM 0 HG SER A 138 120.307 -0.784 10.020 1.00 0.00 H new ATOM 1738 N SER A 139 117.448 -1.878 6.842 1.00 0.00 N ATOM 1739 CA SER A 139 117.432 -2.402 5.442 1.00 0.00 C ATOM 1740 C SER A 139 116.489 -1.548 4.592 1.00 0.00 C ATOM 1741 O SER A 139 115.476 -1.073 5.069 1.00 0.00 O ATOM 1742 CB SER A 139 116.912 -3.834 5.547 1.00 0.00 C ATOM 1743 OG SER A 139 117.700 -4.552 6.486 1.00 0.00 O ATOM 0 H SER A 139 117.050 -2.501 7.545 1.00 0.00 H new ATOM 0 HA SER A 139 118.416 -2.372 4.974 1.00 0.00 H new ATOM 0 HB2 SER A 139 115.867 -3.832 5.858 1.00 0.00 H new ATOM 0 HB3 SER A 139 116.954 -4.321 4.573 1.00 0.00 H new ATOM 0 HG SER A 139 117.368 -5.471 6.557 1.00 0.00 H new ATOM 1749 N GLY A 140 116.821 -1.340 3.344 1.00 0.00 N ATOM 1750 CA GLY A 140 115.950 -0.504 2.468 1.00 0.00 C ATOM 1751 C GLY A 140 116.439 0.949 2.481 1.00 0.00 C ATOM 1752 O GLY A 140 116.106 1.727 1.606 1.00 0.00 O ATOM 0 H GLY A 140 117.657 -1.713 2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 140 115.964 -0.892 1.450 1.00 0.00 H new ATOM 0 HA3 GLY A 140 114.918 -0.553 2.814 1.00 0.00 H new ATOM 1756 N GLY A 141 117.233 1.327 3.462 1.00 0.00 N ATOM 1757 CA GLY A 141 117.747 2.729 3.526 1.00 0.00 C ATOM 1758 C GLY A 141 118.513 3.050 2.231 1.00 0.00 C ATOM 1759 O GLY A 141 119.575 2.503 2.004 1.00 0.00 O ATOM 0 H GLY A 141 117.545 0.720 4.220 1.00 0.00 H new ATOM 0 HA2 GLY A 141 116.919 3.426 3.655 1.00 0.00 H new ATOM 0 HA3 GLY A 141 118.402 2.849 4.389 1.00 0.00 H new ATOM 1763 N PRO A 142 117.956 3.914 1.406 1.00 0.00 N ATOM 1764 CA PRO A 142 118.626 4.261 0.130 1.00 0.00 C ATOM 1765 C PRO A 142 119.875 5.111 0.378 1.00 0.00 C ATOM 1766 O PRO A 142 120.040 5.710 1.427 1.00 0.00 O ATOM 1767 CB PRO A 142 117.570 5.059 -0.630 1.00 0.00 C ATOM 1768 CG PRO A 142 116.673 5.619 0.425 1.00 0.00 C ATOM 1769 CD PRO A 142 116.683 4.640 1.569 1.00 0.00 C ATOM 0 HA PRO A 142 118.968 3.382 -0.417 1.00 0.00 H new ATOM 0 HB2 PRO A 142 118.026 5.853 -1.222 1.00 0.00 H new ATOM 0 HB3 PRO A 142 117.017 4.423 -1.321 1.00 0.00 H new ATOM 0 HG2 PRO A 142 117.024 6.598 0.751 1.00 0.00 H new ATOM 0 HG3 PRO A 142 115.662 5.754 0.041 1.00 0.00 H new ATOM 0 HD2 PRO A 142 116.635 5.150 2.531 1.00 0.00 H new ATOM 0 HD3 PRO A 142 115.829 3.964 1.523 1.00 0.00 H new ATOM 1777 N LEU A 143 120.746 5.168 -0.594 1.00 0.00 N ATOM 1778 CA LEU A 143 121.989 5.978 -0.457 1.00 0.00 C ATOM 1779 C LEU A 143 121.939 7.136 -1.454 1.00 0.00 C ATOM 1780 O LEU A 143 121.844 6.925 -2.648 1.00 0.00 O ATOM 1781 CB LEU A 143 123.131 5.020 -0.799 1.00 0.00 C ATOM 1782 CG LEU A 143 123.448 4.148 0.417 1.00 0.00 C ATOM 1783 CD1 LEU A 143 122.548 2.911 0.408 1.00 0.00 C ATOM 1784 CD2 LEU A 143 124.914 3.712 0.363 1.00 0.00 C ATOM 0 H LEU A 143 120.647 4.683 -1.486 1.00 0.00 H new ATOM 0 HA LEU A 143 122.113 6.403 0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 143 122.853 4.393 -1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 143 124.016 5.583 -1.096 1.00 0.00 H new ATOM 0 HG LEU A 143 123.271 4.719 1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 143 122.774 2.290 1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 143 121.504 3.221 0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 143 122.724 2.340 -0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 143 125.141 3.091 1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 143 125.091 3.142 -0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 143 125.556 4.593 0.370 1.00 0.00 H new ATOM 1796 N LEU A 144 121.981 8.351 -0.972 1.00 0.00 N ATOM 1797 CA LEU A 144 121.916 9.528 -1.888 1.00 0.00 C ATOM 1798 C LEU A 144 123.320 10.051 -2.203 1.00 0.00 C ATOM 1799 O LEU A 144 124.289 9.688 -1.566 1.00 0.00 O ATOM 1800 CB LEU A 144 121.115 10.579 -1.120 1.00 0.00 C ATOM 1801 CG LEU A 144 120.246 11.375 -2.095 1.00 0.00 C ATOM 1802 CD1 LEU A 144 119.110 10.489 -2.609 1.00 0.00 C ATOM 1803 CD2 LEU A 144 119.659 12.591 -1.376 1.00 0.00 C ATOM 0 H LEU A 144 122.058 8.579 0.019 1.00 0.00 H new ATOM 0 HA LEU A 144 121.458 9.275 -2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 144 120.489 10.097 -0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 144 121.791 11.249 -0.589 1.00 0.00 H new ATOM 0 HG LEU A 144 120.855 11.707 -2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 144 118.491 11.057 -3.304 1.00 0.00 H new ATOM 0 HD12 LEU A 144 119.528 9.622 -3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 144 118.500 10.156 -1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 144 119.039 13.160 -2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 144 119.051 12.258 -0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 144 120.468 13.223 -1.010 1.00 0.00 H new ATOM 1815 N CYS A 145 123.424 10.909 -3.185 1.00 0.00 N ATOM 1816 CA CYS A 145 124.751 11.480 -3.562 1.00 0.00 C ATOM 1817 C CYS A 145 124.811 12.956 -3.132 1.00 0.00 C ATOM 1818 O CYS A 145 123.846 13.474 -2.607 1.00 0.00 O ATOM 1819 CB CYS A 145 124.812 11.356 -5.092 1.00 0.00 C ATOM 1820 SG CYS A 145 126.066 10.139 -5.571 1.00 0.00 S ATOM 0 H CYS A 145 122.640 11.241 -3.746 1.00 0.00 H new ATOM 0 HA CYS A 145 125.586 10.968 -3.084 1.00 0.00 H new ATOM 0 HB2 CYS A 145 123.838 11.057 -5.479 1.00 0.00 H new ATOM 0 HB3 CYS A 145 125.047 12.324 -5.534 1.00 0.00 H new ATOM 0 HG CYS A 145 126.723 10.577 -6.604 1.00 0.00 H new ATOM 1825 N PRO A 146 125.936 13.598 -3.368 1.00 0.00 N ATOM 1826 CA PRO A 146 126.070 15.028 -2.988 1.00 0.00 C ATOM 1827 C PRO A 146 125.177 15.901 -3.876 1.00 0.00 C ATOM 1828 O PRO A 146 124.764 16.977 -3.484 1.00 0.00 O ATOM 1829 CB PRO A 146 127.549 15.329 -3.225 1.00 0.00 C ATOM 1830 CG PRO A 146 127.987 14.324 -4.238 1.00 0.00 C ATOM 1831 CD PRO A 146 127.167 13.084 -3.997 1.00 0.00 C ATOM 0 HA PRO A 146 125.764 15.231 -1.962 1.00 0.00 H new ATOM 0 HB2 PRO A 146 127.692 16.346 -3.590 1.00 0.00 H new ATOM 0 HB3 PRO A 146 128.124 15.237 -2.303 1.00 0.00 H new ATOM 0 HG2 PRO A 146 127.832 14.700 -5.249 1.00 0.00 H new ATOM 0 HG3 PRO A 146 129.051 14.110 -4.137 1.00 0.00 H new ATOM 0 HD2 PRO A 146 126.952 12.558 -4.927 1.00 0.00 H new ATOM 0 HD3 PRO A 146 127.686 12.381 -3.346 1.00 0.00 H new ATOM 1839 N SER A 147 124.870 15.441 -5.064 1.00 0.00 N ATOM 1840 CA SER A 147 123.996 16.238 -5.978 1.00 0.00 C ATOM 1841 C SER A 147 122.526 16.067 -5.582 1.00 0.00 C ATOM 1842 O SER A 147 121.712 16.948 -5.793 1.00 0.00 O ATOM 1843 CB SER A 147 124.246 15.662 -7.371 1.00 0.00 C ATOM 1844 OG SER A 147 123.702 14.350 -7.442 1.00 0.00 O ATOM 0 H SER A 147 125.187 14.547 -5.440 1.00 0.00 H new ATOM 0 HA SER A 147 124.217 17.305 -5.934 1.00 0.00 H new ATOM 0 HB2 SER A 147 123.789 16.299 -8.128 1.00 0.00 H new ATOM 0 HB3 SER A 147 125.315 15.636 -7.580 1.00 0.00 H new ATOM 0 HG SER A 147 123.859 13.979 -8.335 1.00 0.00 H new ATOM 1850 N GLY A 148 122.182 14.941 -5.006 1.00 0.00 N ATOM 1851 CA GLY A 148 120.767 14.707 -4.590 1.00 0.00 C ATOM 1852 C GLY A 148 120.175 13.547 -5.395 1.00 0.00 C ATOM 1853 O GLY A 148 119.005 13.547 -5.726 1.00 0.00 O ATOM 0 H GLY A 148 122.823 14.173 -4.806 1.00 0.00 H new ATOM 0 HA2 GLY A 148 120.724 14.481 -3.524 1.00 0.00 H new ATOM 0 HA3 GLY A 148 120.178 15.610 -4.749 1.00 0.00 H new ATOM 1857 N HIS A 149 120.976 12.560 -5.708 1.00 0.00 N ATOM 1858 CA HIS A 149 120.468 11.394 -6.492 1.00 0.00 C ATOM 1859 C HIS A 149 120.701 10.091 -5.721 1.00 0.00 C ATOM 1860 O HIS A 149 121.602 9.994 -4.911 1.00 0.00 O ATOM 1861 CB HIS A 149 121.285 11.403 -7.784 1.00 0.00 C ATOM 1862 CG HIS A 149 120.682 12.373 -8.767 1.00 0.00 C ATOM 1863 ND1 HIS A 149 121.283 12.655 -9.984 1.00 0.00 N ATOM 1864 CD2 HIS A 149 119.537 13.132 -8.730 1.00 0.00 C ATOM 1865 CE1 HIS A 149 120.505 13.548 -10.624 1.00 0.00 C ATOM 1866 NE2 HIS A 149 119.427 13.872 -9.904 1.00 0.00 N ATOM 0 H HIS A 149 121.963 12.512 -5.453 1.00 0.00 H new ATOM 0 HA HIS A 149 119.397 11.461 -6.683 1.00 0.00 H new ATOM 0 HB2 HIS A 149 122.316 11.683 -7.570 1.00 0.00 H new ATOM 0 HB3 HIS A 149 121.309 10.402 -8.216 1.00 0.00 H new ATOM 0 HD2 HIS A 149 118.830 13.151 -7.914 1.00 0.00 H new ATOM 0 HE1 HIS A 149 120.725 13.953 -11.601 1.00 0.00 H new ATOM 0 HE2 HIS A 149 118.683 14.522 -10.160 1.00 0.00 H new ATOM 1874 N ALA A 150 119.894 9.089 -5.970 1.00 0.00 N ATOM 1875 CA ALA A 150 120.063 7.787 -5.255 1.00 0.00 C ATOM 1876 C ALA A 150 121.032 6.885 -6.022 1.00 0.00 C ATOM 1877 O ALA A 150 121.062 6.888 -7.240 1.00 0.00 O ATOM 1878 CB ALA A 150 118.665 7.169 -5.225 1.00 0.00 C ATOM 0 H ALA A 150 119.124 9.117 -6.639 1.00 0.00 H new ATOM 0 HA ALA A 150 120.474 7.915 -4.254 1.00 0.00 H new ATOM 0 HB1 ALA A 150 118.703 6.207 -4.715 1.00 0.00 H new ATOM 0 HB2 ALA A 150 117.984 7.834 -4.694 1.00 0.00 H new ATOM 0 HB3 ALA A 150 118.309 7.025 -6.245 1.00 0.00 H new ATOM 1884 N VAL A 151 121.829 6.118 -5.320 1.00 0.00 N ATOM 1885 CA VAL A 151 122.804 5.216 -6.006 1.00 0.00 C ATOM 1886 C VAL A 151 122.532 3.745 -5.661 1.00 0.00 C ATOM 1887 O VAL A 151 122.892 2.857 -6.410 1.00 0.00 O ATOM 1888 CB VAL A 151 124.186 5.649 -5.503 1.00 0.00 C ATOM 1889 CG1 VAL A 151 124.444 7.100 -5.910 1.00 0.00 C ATOM 1890 CG2 VAL A 151 124.253 5.532 -3.976 1.00 0.00 C ATOM 0 H VAL A 151 121.846 6.078 -4.301 1.00 0.00 H new ATOM 0 HA VAL A 151 122.727 5.294 -7.090 1.00 0.00 H new ATOM 0 HB VAL A 151 124.943 5.001 -5.944 1.00 0.00 H new ATOM 0 HG11 VAL A 151 125.426 7.409 -5.553 1.00 0.00 H new ATOM 0 HG12 VAL A 151 124.410 7.185 -6.996 1.00 0.00 H new ATOM 0 HG13 VAL A 151 123.680 7.742 -5.472 1.00 0.00 H new ATOM 0 HG21 VAL A 151 125.239 5.842 -3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 151 123.493 6.173 -3.528 1.00 0.00 H new ATOM 0 HG23 VAL A 151 124.074 4.498 -3.682 1.00 0.00 H new ATOM 1900 N GLY A 152 121.905 3.478 -4.537 1.00 0.00 N ATOM 1901 CA GLY A 152 121.625 2.054 -4.164 1.00 0.00 C ATOM 1902 C GLY A 152 120.884 1.989 -2.825 1.00 0.00 C ATOM 1903 O GLY A 152 120.485 2.996 -2.275 1.00 0.00 O ATOM 0 H GLY A 152 121.579 4.177 -3.869 1.00 0.00 H new ATOM 0 HA2 GLY A 152 121.027 1.579 -4.941 1.00 0.00 H new ATOM 0 HA3 GLY A 152 122.560 1.498 -4.097 1.00 0.00 H new ATOM 1907 N ILE A 153 120.695 0.801 -2.303 1.00 0.00 N ATOM 1908 CA ILE A 153 119.978 0.645 -0.999 1.00 0.00 C ATOM 1909 C ILE A 153 120.796 -0.246 -0.052 1.00 0.00 C ATOM 1910 O ILE A 153 121.641 -1.010 -0.482 1.00 0.00 O ATOM 1911 CB ILE A 153 118.642 -0.020 -1.359 1.00 0.00 C ATOM 1912 CG1 ILE A 153 117.819 0.926 -2.237 1.00 0.00 C ATOM 1913 CG2 ILE A 153 117.848 -0.330 -0.087 1.00 0.00 C ATOM 1914 CD1 ILE A 153 116.752 0.128 -2.989 1.00 0.00 C ATOM 0 H ILE A 153 121.009 -0.072 -2.727 1.00 0.00 H new ATOM 0 HA ILE A 153 119.830 1.596 -0.487 1.00 0.00 H new ATOM 0 HB ILE A 153 118.845 -0.947 -1.896 1.00 0.00 H new ATOM 0 HG12 ILE A 153 117.348 1.693 -1.622 1.00 0.00 H new ATOM 0 HG13 ILE A 153 118.469 1.440 -2.945 1.00 0.00 H new ATOM 0 HG21 ILE A 153 116.902 -0.801 -0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 153 118.424 -1.005 0.546 1.00 0.00 H new ATOM 0 HG23 ILE A 153 117.652 0.596 0.454 1.00 0.00 H new ATOM 0 HD11 ILE A 153 116.166 0.802 -3.614 1.00 0.00 H new ATOM 0 HD12 ILE A 153 117.233 -0.622 -3.617 1.00 0.00 H new ATOM 0 HD13 ILE A 153 116.095 -0.366 -2.273 1.00 0.00 H new ATOM 1926 N PHE A 154 120.545 -0.153 1.230 1.00 0.00 N ATOM 1927 CA PHE A 154 121.298 -0.993 2.212 1.00 0.00 C ATOM 1928 C PHE A 154 120.819 -2.445 2.144 1.00 0.00 C ATOM 1929 O PHE A 154 119.650 -2.710 1.932 1.00 0.00 O ATOM 1930 CB PHE A 154 120.980 -0.398 3.587 1.00 0.00 C ATOM 1931 CG PHE A 154 121.967 -0.930 4.602 1.00 0.00 C ATOM 1932 CD1 PHE A 154 123.342 -0.762 4.397 1.00 0.00 C ATOM 1933 CD2 PHE A 154 121.507 -1.594 5.745 1.00 0.00 C ATOM 1934 CE1 PHE A 154 124.256 -1.260 5.334 1.00 0.00 C ATOM 1935 CE2 PHE A 154 122.422 -2.090 6.682 1.00 0.00 C ATOM 1936 CZ PHE A 154 123.796 -1.923 6.476 1.00 0.00 C ATOM 0 H PHE A 154 119.849 0.470 1.640 1.00 0.00 H new ATOM 0 HA PHE A 154 122.368 -0.994 2.006 1.00 0.00 H new ATOM 0 HB2 PHE A 154 121.033 0.690 3.546 1.00 0.00 H new ATOM 0 HB3 PHE A 154 119.963 -0.657 3.882 1.00 0.00 H new ATOM 0 HD1 PHE A 154 123.698 -0.248 3.516 1.00 0.00 H new ATOM 0 HD2 PHE A 154 120.447 -1.724 5.904 1.00 0.00 H new ATOM 0 HE1 PHE A 154 125.316 -1.132 5.175 1.00 0.00 H new ATOM 0 HE2 PHE A 154 122.067 -2.602 7.564 1.00 0.00 H new ATOM 0 HZ PHE A 154 124.501 -2.306 7.199 1.00 0.00 H new ATOM 1946 N ARG A 155 121.712 -3.385 2.327 1.00 0.00 N ATOM 1947 CA ARG A 155 121.311 -4.821 2.280 1.00 0.00 C ATOM 1948 C ARG A 155 121.834 -5.560 3.520 1.00 0.00 C ATOM 1949 O ARG A 155 121.085 -5.852 4.441 1.00 0.00 O ATOM 1950 CB ARG A 155 121.945 -5.374 0.996 1.00 0.00 C ATOM 1951 CG ARG A 155 121.579 -6.854 0.833 1.00 0.00 C ATOM 1952 CD ARG A 155 122.808 -7.647 0.371 1.00 0.00 C ATOM 1953 NE ARG A 155 123.181 -7.066 -0.956 1.00 0.00 N ATOM 1954 CZ ARG A 155 124.076 -7.649 -1.729 1.00 0.00 C ATOM 1955 NH1 ARG A 155 124.528 -8.855 -1.467 1.00 0.00 N ATOM 1956 NH2 ARG A 155 124.521 -7.016 -2.779 1.00 0.00 N ATOM 0 H ARG A 155 122.702 -3.218 2.507 1.00 0.00 H new ATOM 0 HA ARG A 155 120.229 -4.949 2.277 1.00 0.00 H new ATOM 0 HB2 ARG A 155 121.596 -4.806 0.133 1.00 0.00 H new ATOM 0 HB3 ARG A 155 123.028 -5.260 1.036 1.00 0.00 H new ATOM 0 HG2 ARG A 155 121.212 -7.253 1.778 1.00 0.00 H new ATOM 0 HG3 ARG A 155 120.773 -6.961 0.107 1.00 0.00 H new ATOM 0 HD2 ARG A 155 123.627 -7.554 1.085 1.00 0.00 H new ATOM 0 HD3 ARG A 155 122.580 -8.709 0.284 1.00 0.00 H new ATOM 0 HE ARG A 155 122.735 -6.203 -1.268 1.00 0.00 H new ATOM 0 HH11 ARG A 155 124.186 -9.361 -0.650 1.00 0.00 H new ATOM 0 HH12 ARG A 155 125.220 -9.285 -2.081 1.00 0.00 H new ATOM 0 HH21 ARG A 155 124.177 -6.080 -2.994 1.00 0.00 H new ATOM 0 HH22 ARG A 155 125.213 -7.457 -3.385 1.00 0.00 H new ATOM 1970 N ALA A 156 123.109 -5.864 3.560 1.00 0.00 N ATOM 1971 CA ALA A 156 123.660 -6.582 4.745 1.00 0.00 C ATOM 1972 C ALA A 156 124.757 -5.763 5.419 1.00 0.00 C ATOM 1973 O ALA A 156 125.566 -5.122 4.775 1.00 0.00 O ATOM 1974 CB ALA A 156 124.240 -7.893 4.203 1.00 0.00 C ATOM 0 H ALA A 156 123.785 -5.647 2.828 1.00 0.00 H new ATOM 0 HA ALA A 156 122.888 -6.755 5.495 1.00 0.00 H new ATOM 0 HB1 ALA A 156 124.663 -8.471 5.025 1.00 0.00 H new ATOM 0 HB2 ALA A 156 123.449 -8.470 3.723 1.00 0.00 H new ATOM 0 HB3 ALA A 156 125.021 -7.672 3.475 1.00 0.00 H new ATOM 1980 N ALA A 157 124.790 -5.812 6.717 1.00 0.00 N ATOM 1981 CA ALA A 157 125.839 -5.072 7.485 1.00 0.00 C ATOM 1982 C ALA A 157 127.017 -6.018 7.749 1.00 0.00 C ATOM 1983 O ALA A 157 126.838 -7.120 8.225 1.00 0.00 O ATOM 1984 CB ALA A 157 125.164 -4.665 8.796 1.00 0.00 C ATOM 0 H ALA A 157 124.130 -6.337 7.291 1.00 0.00 H new ATOM 0 HA ALA A 157 126.224 -4.202 6.954 1.00 0.00 H new ATOM 0 HB1 ALA A 157 125.873 -4.116 9.415 1.00 0.00 H new ATOM 0 HB2 ALA A 157 124.304 -4.031 8.581 1.00 0.00 H new ATOM 0 HB3 ALA A 157 124.834 -5.557 9.327 1.00 0.00 H new ATOM 1990 N VAL A 158 128.211 -5.608 7.401 1.00 0.00 N ATOM 1991 CA VAL A 158 129.404 -6.503 7.580 1.00 0.00 C ATOM 1992 C VAL A 158 130.160 -6.174 8.869 1.00 0.00 C ATOM 1993 O VAL A 158 130.665 -5.079 9.033 1.00 0.00 O ATOM 1994 CB VAL A 158 130.328 -6.237 6.371 1.00 0.00 C ATOM 1995 CG1 VAL A 158 131.275 -7.433 6.176 1.00 0.00 C ATOM 1996 CG2 VAL A 158 129.511 -6.017 5.084 1.00 0.00 C ATOM 0 H VAL A 158 128.415 -4.692 7.000 1.00 0.00 H new ATOM 0 HA VAL A 158 129.088 -7.544 7.643 1.00 0.00 H new ATOM 0 HB VAL A 158 130.903 -5.333 6.572 1.00 0.00 H new ATOM 0 HG11 VAL A 158 131.927 -7.245 5.323 1.00 0.00 H new ATOM 0 HG12 VAL A 158 131.880 -7.568 7.073 1.00 0.00 H new ATOM 0 HG13 VAL A 158 130.690 -8.334 5.994 1.00 0.00 H new ATOM 0 HG21 VAL A 158 130.188 -5.832 4.250 1.00 0.00 H new ATOM 0 HG22 VAL A 158 128.913 -6.905 4.876 1.00 0.00 H new ATOM 0 HG23 VAL A 158 128.852 -5.158 5.214 1.00 0.00 H new ATOM 2006 N CYS A 159 130.265 -7.120 9.771 1.00 0.00 N ATOM 2007 CA CYS A 159 131.015 -6.865 11.040 1.00 0.00 C ATOM 2008 C CYS A 159 131.823 -8.107 11.444 1.00 0.00 C ATOM 2009 O CYS A 159 131.449 -9.225 11.141 1.00 0.00 O ATOM 2010 CB CYS A 159 129.943 -6.540 12.087 1.00 0.00 C ATOM 2011 SG CYS A 159 128.820 -7.947 12.293 1.00 0.00 S ATOM 0 H CYS A 159 129.865 -8.054 9.684 1.00 0.00 H new ATOM 0 HA CYS A 159 131.731 -6.050 10.936 1.00 0.00 H new ATOM 0 HB2 CYS A 159 130.416 -6.301 13.040 1.00 0.00 H new ATOM 0 HB3 CYS A 159 129.380 -5.658 11.780 1.00 0.00 H new ATOM 0 HG CYS A 159 129.393 -9.028 11.853 1.00 0.00 H new ATOM 2017 N THR A 160 132.916 -7.916 12.138 1.00 0.00 N ATOM 2018 CA THR A 160 133.743 -9.080 12.581 1.00 0.00 C ATOM 2019 C THR A 160 133.325 -9.496 13.992 1.00 0.00 C ATOM 2020 O THR A 160 133.092 -10.658 14.267 1.00 0.00 O ATOM 2021 CB THR A 160 135.185 -8.570 12.575 1.00 0.00 C ATOM 2022 OG1 THR A 160 135.227 -7.265 13.134 1.00 0.00 O ATOM 2023 CG2 THR A 160 135.710 -8.529 11.139 1.00 0.00 C ATOM 0 H THR A 160 133.272 -7.002 12.418 1.00 0.00 H new ATOM 0 HA THR A 160 133.623 -9.950 11.936 1.00 0.00 H new ATOM 0 HB THR A 160 135.809 -9.240 13.167 1.00 0.00 H new ATOM 0 HG1 THR A 160 136.151 -6.938 13.132 1.00 0.00 H new ATOM 0 HG21 THR A 160 136.738 -8.165 11.138 1.00 0.00 H new ATOM 0 HG22 THR A 160 135.679 -9.531 10.712 1.00 0.00 H new ATOM 0 HG23 THR A 160 135.088 -7.861 10.543 1.00 0.00 H new ATOM 2031 N ARG A 161 133.220 -8.545 14.882 1.00 0.00 N ATOM 2032 CA ARG A 161 132.805 -8.851 16.282 1.00 0.00 C ATOM 2033 C ARG A 161 131.520 -8.088 16.601 1.00 0.00 C ATOM 2034 O ARG A 161 131.328 -7.596 17.696 1.00 0.00 O ATOM 2035 CB ARG A 161 133.954 -8.352 17.158 1.00 0.00 C ATOM 2036 CG ARG A 161 135.234 -9.104 16.797 1.00 0.00 C ATOM 2037 CD ARG A 161 136.154 -9.154 18.017 1.00 0.00 C ATOM 2038 NE ARG A 161 137.288 -10.039 17.610 1.00 0.00 N ATOM 2039 CZ ARG A 161 138.326 -9.564 16.953 1.00 0.00 C ATOM 2040 NH1 ARG A 161 138.324 -8.348 16.455 1.00 0.00 N ATOM 2041 NH2 ARG A 161 139.378 -10.319 16.790 1.00 0.00 N ATOM 0 H ARG A 161 133.406 -7.559 14.696 1.00 0.00 H new ATOM 0 HA ARG A 161 132.611 -9.911 16.443 1.00 0.00 H new ATOM 0 HB2 ARG A 161 134.096 -7.281 17.014 1.00 0.00 H new ATOM 0 HB3 ARG A 161 133.715 -8.504 18.211 1.00 0.00 H new ATOM 0 HG2 ARG A 161 134.994 -10.115 16.467 1.00 0.00 H new ATOM 0 HG3 ARG A 161 135.738 -8.609 15.967 1.00 0.00 H new ATOM 0 HD2 ARG A 161 136.507 -8.159 18.286 1.00 0.00 H new ATOM 0 HD3 ARG A 161 135.634 -9.554 18.887 1.00 0.00 H new ATOM 0 HE ARG A 161 137.257 -11.031 17.846 1.00 0.00 H new ATOM 0 HH11 ARG A 161 137.506 -7.750 16.574 1.00 0.00 H new ATOM 0 HH12 ARG A 161 139.140 -8.002 15.950 1.00 0.00 H new ATOM 0 HH21 ARG A 161 139.390 -11.266 17.170 1.00 0.00 H new ATOM 0 HH22 ARG A 161 140.188 -9.962 16.283 1.00 0.00 H new ATOM 2055 N GLY A 162 130.654 -7.971 15.631 1.00 0.00 N ATOM 2056 CA GLY A 162 129.382 -7.220 15.834 1.00 0.00 C ATOM 2057 C GLY A 162 129.578 -5.752 15.426 1.00 0.00 C ATOM 2058 O GLY A 162 128.623 -5.011 15.297 1.00 0.00 O ATOM 0 H GLY A 162 130.775 -8.367 14.699 1.00 0.00 H new ATOM 0 HA2 GLY A 162 128.585 -7.669 15.242 1.00 0.00 H new ATOM 0 HA3 GLY A 162 129.076 -7.280 16.878 1.00 0.00 H new ATOM 2062 N VAL A 163 130.806 -5.327 15.206 1.00 0.00 N ATOM 2063 CA VAL A 163 131.052 -3.913 14.791 1.00 0.00 C ATOM 2064 C VAL A 163 131.000 -3.818 13.265 1.00 0.00 C ATOM 2065 O VAL A 163 131.714 -4.515 12.569 1.00 0.00 O ATOM 2066 CB VAL A 163 132.454 -3.579 15.312 1.00 0.00 C ATOM 2067 CG1 VAL A 163 132.814 -2.139 14.937 1.00 0.00 C ATOM 2068 CG2 VAL A 163 132.482 -3.725 16.836 1.00 0.00 C ATOM 0 H VAL A 163 131.643 -5.902 15.297 1.00 0.00 H new ATOM 0 HA VAL A 163 130.308 -3.221 15.185 1.00 0.00 H new ATOM 0 HB VAL A 163 133.175 -4.263 14.865 1.00 0.00 H new ATOM 0 HG11 VAL A 163 133.811 -1.905 15.309 1.00 0.00 H new ATOM 0 HG12 VAL A 163 132.796 -2.030 13.853 1.00 0.00 H new ATOM 0 HG13 VAL A 163 132.091 -1.455 15.382 1.00 0.00 H new ATOM 0 HG21 VAL A 163 133.479 -3.487 17.206 1.00 0.00 H new ATOM 0 HG22 VAL A 163 131.758 -3.042 17.280 1.00 0.00 H new ATOM 0 HG23 VAL A 163 132.229 -4.750 17.108 1.00 0.00 H new ATOM 2078 N ALA A 164 130.151 -2.972 12.742 1.00 0.00 N ATOM 2079 CA ALA A 164 130.033 -2.843 11.260 1.00 0.00 C ATOM 2080 C ALA A 164 131.046 -1.830 10.719 1.00 0.00 C ATOM 2081 O ALA A 164 130.969 -0.648 10.997 1.00 0.00 O ATOM 2082 CB ALA A 164 128.607 -2.349 11.021 1.00 0.00 C ATOM 0 H ALA A 164 129.533 -2.364 13.279 1.00 0.00 H new ATOM 0 HA ALA A 164 130.235 -3.786 10.752 1.00 0.00 H new ATOM 0 HB1 ALA A 164 128.438 -2.228 9.951 1.00 0.00 H new ATOM 0 HB2 ALA A 164 127.899 -3.075 11.420 1.00 0.00 H new ATOM 0 HB3 ALA A 164 128.465 -1.391 11.521 1.00 0.00 H new ATOM 2088 N LYS A 165 131.988 -2.295 9.940 1.00 0.00 N ATOM 2089 CA LYS A 165 133.012 -1.379 9.357 1.00 0.00 C ATOM 2090 C LYS A 165 132.741 -1.189 7.862 1.00 0.00 C ATOM 2091 O LYS A 165 133.034 -0.153 7.295 1.00 0.00 O ATOM 2092 CB LYS A 165 134.348 -2.087 9.578 1.00 0.00 C ATOM 2093 CG LYS A 165 134.686 -2.081 11.070 1.00 0.00 C ATOM 2094 CD LYS A 165 136.024 -2.790 11.293 1.00 0.00 C ATOM 2095 CE LYS A 165 135.828 -4.303 11.164 1.00 0.00 C ATOM 2096 NZ LYS A 165 137.104 -4.897 11.649 1.00 0.00 N ATOM 0 H LYS A 165 132.092 -3.276 9.681 1.00 0.00 H new ATOM 0 HA LYS A 165 133.000 -0.390 9.815 1.00 0.00 H new ATOM 0 HB2 LYS A 165 134.294 -3.112 9.210 1.00 0.00 H new ATOM 0 HB3 LYS A 165 135.135 -1.587 9.014 1.00 0.00 H new ATOM 0 HG2 LYS A 165 134.740 -1.056 11.437 1.00 0.00 H new ATOM 0 HG3 LYS A 165 133.899 -2.581 11.634 1.00 0.00 H new ATOM 0 HD2 LYS A 165 136.757 -2.444 10.564 1.00 0.00 H new ATOM 0 HD3 LYS A 165 136.417 -2.546 12.280 1.00 0.00 H new ATOM 0 HE2 LYS A 165 134.982 -4.644 11.760 1.00 0.00 H new ATOM 0 HE3 LYS A 165 135.626 -4.589 10.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 137.048 -5.934 11.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 137.891 -4.559 11.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 137.266 -4.613 12.636 1.00 0.00 H new ATOM 2110 N ALA A 166 132.177 -2.185 7.226 1.00 0.00 N ATOM 2111 CA ALA A 166 131.872 -2.080 5.769 1.00 0.00 C ATOM 2112 C ALA A 166 130.363 -2.206 5.543 1.00 0.00 C ATOM 2113 O ALA A 166 129.625 -2.573 6.438 1.00 0.00 O ATOM 2114 CB ALA A 166 132.614 -3.249 5.120 1.00 0.00 C ATOM 0 H ALA A 166 131.914 -3.071 7.657 1.00 0.00 H new ATOM 0 HA ALA A 166 132.181 -1.123 5.347 1.00 0.00 H new ATOM 0 HB1 ALA A 166 132.438 -3.240 4.044 1.00 0.00 H new ATOM 0 HB2 ALA A 166 133.682 -3.154 5.314 1.00 0.00 H new ATOM 0 HB3 ALA A 166 132.251 -4.188 5.539 1.00 0.00 H new ATOM 2120 N VAL A 167 129.901 -1.903 4.357 1.00 0.00 N ATOM 2121 CA VAL A 167 128.436 -2.000 4.074 1.00 0.00 C ATOM 2122 C VAL A 167 128.192 -2.500 2.646 1.00 0.00 C ATOM 2123 O VAL A 167 128.778 -2.011 1.698 1.00 0.00 O ATOM 2124 CB VAL A 167 127.897 -0.574 4.246 1.00 0.00 C ATOM 2125 CG1 VAL A 167 128.127 -0.114 5.687 1.00 0.00 C ATOM 2126 CG2 VAL A 167 128.620 0.380 3.287 1.00 0.00 C ATOM 0 H VAL A 167 130.474 -1.593 3.572 1.00 0.00 H new ATOM 0 HA VAL A 167 127.940 -2.706 4.740 1.00 0.00 H new ATOM 0 HB VAL A 167 126.830 -0.566 4.022 1.00 0.00 H new ATOM 0 HG11 VAL A 167 127.745 0.899 5.811 1.00 0.00 H new ATOM 0 HG12 VAL A 167 127.606 -0.785 6.371 1.00 0.00 H new ATOM 0 HG13 VAL A 167 129.194 -0.128 5.908 1.00 0.00 H new ATOM 0 HG21 VAL A 167 128.231 1.390 3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 167 129.688 0.372 3.503 1.00 0.00 H new ATOM 0 HG23 VAL A 167 128.455 0.057 2.259 1.00 0.00 H new ATOM 2136 N ASP A 168 127.329 -3.472 2.492 1.00 0.00 N ATOM 2137 CA ASP A 168 127.034 -4.015 1.130 1.00 0.00 C ATOM 2138 C ASP A 168 125.708 -3.445 0.607 1.00 0.00 C ATOM 2139 O ASP A 168 124.691 -3.510 1.273 1.00 0.00 O ATOM 2140 CB ASP A 168 126.932 -5.534 1.324 1.00 0.00 C ATOM 2141 CG ASP A 168 127.877 -6.245 0.351 1.00 0.00 C ATOM 2142 OD1 ASP A 168 127.433 -7.179 -0.299 1.00 0.00 O ATOM 2143 OD2 ASP A 168 129.027 -5.846 0.273 1.00 0.00 O ATOM 0 H ASP A 168 126.814 -3.915 3.253 1.00 0.00 H new ATOM 0 HA ASP A 168 127.800 -3.748 0.402 1.00 0.00 H new ATOM 0 HB2 ASP A 168 127.187 -5.797 2.351 1.00 0.00 H new ATOM 0 HB3 ASP A 168 125.907 -5.863 1.156 1.00 0.00 H new ATOM 2148 N PHE A 169 125.716 -2.890 -0.581 1.00 0.00 N ATOM 2149 CA PHE A 169 124.459 -2.314 -1.157 1.00 0.00 C ATOM 2150 C PHE A 169 124.311 -2.709 -2.631 1.00 0.00 C ATOM 2151 O PHE A 169 125.262 -3.113 -3.274 1.00 0.00 O ATOM 2152 CB PHE A 169 124.606 -0.791 -1.019 1.00 0.00 C ATOM 2153 CG PHE A 169 125.847 -0.321 -1.743 1.00 0.00 C ATOM 2154 CD1 PHE A 169 125.773 0.050 -3.091 1.00 0.00 C ATOM 2155 CD2 PHE A 169 127.071 -0.259 -1.066 1.00 0.00 C ATOM 2156 CE1 PHE A 169 126.922 0.485 -3.762 1.00 0.00 C ATOM 2157 CE2 PHE A 169 128.221 0.176 -1.738 1.00 0.00 C ATOM 2158 CZ PHE A 169 128.146 0.548 -3.086 1.00 0.00 C ATOM 0 H PHE A 169 126.540 -2.811 -1.178 1.00 0.00 H new ATOM 0 HA PHE A 169 123.572 -2.683 -0.642 1.00 0.00 H new ATOM 0 HB2 PHE A 169 123.726 -0.294 -1.429 1.00 0.00 H new ATOM 0 HB3 PHE A 169 124.665 -0.517 0.034 1.00 0.00 H new ATOM 0 HD1 PHE A 169 124.829 0.001 -3.613 1.00 0.00 H new ATOM 0 HD2 PHE A 169 127.129 -0.546 -0.027 1.00 0.00 H new ATOM 0 HE1 PHE A 169 126.864 0.772 -4.802 1.00 0.00 H new ATOM 0 HE2 PHE A 169 129.165 0.224 -1.216 1.00 0.00 H new ATOM 0 HZ PHE A 169 129.032 0.883 -3.604 1.00 0.00 H new ATOM 2168 N VAL A 170 123.121 -2.595 -3.168 1.00 0.00 N ATOM 2169 CA VAL A 170 122.896 -2.960 -4.600 1.00 0.00 C ATOM 2170 C VAL A 170 122.756 -1.685 -5.454 1.00 0.00 C ATOM 2171 O VAL A 170 122.207 -0.703 -4.996 1.00 0.00 O ATOM 2172 CB VAL A 170 121.587 -3.762 -4.600 1.00 0.00 C ATOM 2173 CG1 VAL A 170 121.227 -4.174 -6.030 1.00 0.00 C ATOM 2174 CG2 VAL A 170 121.757 -5.020 -3.742 1.00 0.00 C ATOM 0 H VAL A 170 122.293 -2.263 -2.673 1.00 0.00 H new ATOM 0 HA VAL A 170 123.723 -3.532 -5.021 1.00 0.00 H new ATOM 0 HB VAL A 170 120.790 -3.141 -4.191 1.00 0.00 H new ATOM 0 HG11 VAL A 170 120.297 -4.743 -6.022 1.00 0.00 H new ATOM 0 HG12 VAL A 170 121.102 -3.283 -6.645 1.00 0.00 H new ATOM 0 HG13 VAL A 170 122.025 -4.790 -6.443 1.00 0.00 H new ATOM 0 HG21 VAL A 170 120.827 -5.589 -3.742 1.00 0.00 H new ATOM 0 HG22 VAL A 170 122.559 -5.634 -4.152 1.00 0.00 H new ATOM 0 HG23 VAL A 170 122.006 -4.733 -2.720 1.00 0.00 H new ATOM 2184 N PRO A 171 123.253 -1.734 -6.675 1.00 0.00 N ATOM 2185 CA PRO A 171 123.163 -0.552 -7.571 1.00 0.00 C ATOM 2186 C PRO A 171 121.718 -0.334 -8.038 1.00 0.00 C ATOM 2187 O PRO A 171 120.861 -1.177 -7.851 1.00 0.00 O ATOM 2188 CB PRO A 171 124.067 -0.916 -8.746 1.00 0.00 C ATOM 2189 CG PRO A 171 124.101 -2.410 -8.758 1.00 0.00 C ATOM 2190 CD PRO A 171 123.936 -2.863 -7.331 1.00 0.00 C ATOM 0 HA PRO A 171 123.463 0.374 -7.082 1.00 0.00 H new ATOM 0 HB2 PRO A 171 123.674 -0.522 -9.683 1.00 0.00 H new ATOM 0 HB3 PRO A 171 125.066 -0.499 -8.619 1.00 0.00 H new ATOM 0 HG2 PRO A 171 123.303 -2.809 -9.385 1.00 0.00 H new ATOM 0 HG3 PRO A 171 125.043 -2.772 -9.171 1.00 0.00 H new ATOM 0 HD2 PRO A 171 123.346 -3.777 -7.268 1.00 0.00 H new ATOM 0 HD3 PRO A 171 124.899 -3.072 -6.865 1.00 0.00 H new ATOM 2198 N VAL A 172 121.447 0.799 -8.634 1.00 0.00 N ATOM 2199 CA VAL A 172 120.059 1.097 -9.112 1.00 0.00 C ATOM 2200 C VAL A 172 119.891 0.665 -10.571 1.00 0.00 C ATOM 2201 O VAL A 172 118.905 0.056 -10.941 1.00 0.00 O ATOM 2202 CB VAL A 172 119.920 2.621 -9.006 1.00 0.00 C ATOM 2203 CG1 VAL A 172 118.511 3.043 -9.437 1.00 0.00 C ATOM 2204 CG2 VAL A 172 120.163 3.074 -7.558 1.00 0.00 C ATOM 0 H VAL A 172 122.130 1.536 -8.812 1.00 0.00 H new ATOM 0 HA VAL A 172 119.307 0.567 -8.527 1.00 0.00 H new ATOM 0 HB VAL A 172 120.659 3.087 -9.658 1.00 0.00 H new ATOM 0 HG11 VAL A 172 118.416 4.126 -9.360 1.00 0.00 H new ATOM 0 HG12 VAL A 172 118.339 2.736 -10.469 1.00 0.00 H new ATOM 0 HG13 VAL A 172 117.775 2.568 -8.789 1.00 0.00 H new ATOM 0 HG21 VAL A 172 120.062 4.157 -7.494 1.00 0.00 H new ATOM 0 HG22 VAL A 172 119.432 2.602 -6.902 1.00 0.00 H new ATOM 0 HG23 VAL A 172 121.168 2.784 -7.250 1.00 0.00 H new ATOM 2214 N GLU A 173 120.843 0.999 -11.401 1.00 0.00 N ATOM 2215 CA GLU A 173 120.755 0.643 -12.852 1.00 0.00 C ATOM 2216 C GLU A 173 120.532 -0.863 -13.044 1.00 0.00 C ATOM 2217 O GLU A 173 119.932 -1.286 -14.015 1.00 0.00 O ATOM 2218 CB GLU A 173 122.100 1.066 -13.443 1.00 0.00 C ATOM 2219 CG GLU A 173 122.264 2.579 -13.312 1.00 0.00 C ATOM 2220 CD GLU A 173 123.042 3.118 -14.515 1.00 0.00 C ATOM 2221 OE1 GLU A 173 123.923 2.419 -14.987 1.00 0.00 O ATOM 2222 OE2 GLU A 173 122.742 4.220 -14.945 1.00 0.00 O ATOM 0 H GLU A 173 121.686 1.508 -11.136 1.00 0.00 H new ATOM 0 HA GLU A 173 119.914 1.138 -13.337 1.00 0.00 H new ATOM 0 HB2 GLU A 173 122.913 0.556 -12.926 1.00 0.00 H new ATOM 0 HB3 GLU A 173 122.156 0.773 -14.491 1.00 0.00 H new ATOM 0 HG2 GLU A 173 121.286 3.057 -13.255 1.00 0.00 H new ATOM 0 HG3 GLU A 173 122.791 2.819 -12.388 1.00 0.00 H new ATOM 2229 N SER A 174 121.003 -1.671 -12.129 1.00 0.00 N ATOM 2230 CA SER A 174 120.812 -3.150 -12.264 1.00 0.00 C ATOM 2231 C SER A 174 119.318 -3.495 -12.265 1.00 0.00 C ATOM 2232 O SER A 174 118.908 -4.503 -12.807 1.00 0.00 O ATOM 2233 CB SER A 174 121.503 -3.759 -11.044 1.00 0.00 C ATOM 2234 OG SER A 174 122.899 -3.853 -11.295 1.00 0.00 O ATOM 0 H SER A 174 121.510 -1.373 -11.296 1.00 0.00 H new ATOM 0 HA SER A 174 121.227 -3.533 -13.197 1.00 0.00 H new ATOM 0 HB2 SER A 174 121.321 -3.144 -10.163 1.00 0.00 H new ATOM 0 HB3 SER A 174 121.092 -4.746 -10.834 1.00 0.00 H new ATOM 0 HG SER A 174 123.298 -4.509 -10.685 1.00 0.00 H new ATOM 2240 N MET A 175 118.506 -2.665 -11.660 1.00 0.00 N ATOM 2241 CA MET A 175 117.034 -2.936 -11.619 1.00 0.00 C ATOM 2242 C MET A 175 116.413 -2.760 -13.010 1.00 0.00 C ATOM 2243 O MET A 175 115.402 -3.359 -13.326 1.00 0.00 O ATOM 2244 CB MET A 175 116.463 -1.905 -10.645 1.00 0.00 C ATOM 2245 CG MET A 175 117.011 -2.176 -9.243 1.00 0.00 C ATOM 2246 SD MET A 175 116.318 -3.727 -8.618 1.00 0.00 S ATOM 2247 CE MET A 175 117.878 -4.633 -8.479 1.00 0.00 C ATOM 0 H MET A 175 118.799 -1.808 -11.191 1.00 0.00 H new ATOM 0 HA MET A 175 116.818 -3.958 -11.306 1.00 0.00 H new ATOM 0 HB2 MET A 175 116.732 -0.898 -10.965 1.00 0.00 H new ATOM 0 HB3 MET A 175 115.374 -1.958 -10.639 1.00 0.00 H new ATOM 0 HG2 MET A 175 118.099 -2.236 -9.271 1.00 0.00 H new ATOM 0 HG3 MET A 175 116.754 -1.354 -8.575 1.00 0.00 H new ATOM 0 HE1 MET A 175 117.707 -5.574 -7.957 1.00 0.00 H new ATOM 0 HE2 MET A 175 118.270 -4.837 -9.475 1.00 0.00 H new ATOM 0 HE3 MET A 175 118.598 -4.034 -7.921 1.00 0.00 H new ATOM 2257 N GLU A 176 117.003 -1.931 -13.836 1.00 0.00 N ATOM 2258 CA GLU A 176 116.441 -1.696 -15.206 1.00 0.00 C ATOM 2259 C GLU A 176 116.319 -3.012 -15.985 1.00 0.00 C ATOM 2260 O GLU A 176 115.337 -3.244 -16.664 1.00 0.00 O ATOM 2261 CB GLU A 176 117.441 -0.763 -15.893 1.00 0.00 C ATOM 2262 CG GLU A 176 116.773 -0.097 -17.099 1.00 0.00 C ATOM 2263 CD GLU A 176 116.144 1.232 -16.668 1.00 0.00 C ATOM 2264 OE1 GLU A 176 116.080 2.128 -17.494 1.00 0.00 O ATOM 2265 OE2 GLU A 176 115.733 1.331 -15.523 1.00 0.00 O ATOM 0 H GLU A 176 117.851 -1.406 -13.622 1.00 0.00 H new ATOM 0 HA GLU A 176 115.439 -1.268 -15.161 1.00 0.00 H new ATOM 0 HB2 GLU A 176 117.788 -0.005 -15.191 1.00 0.00 H new ATOM 0 HB3 GLU A 176 118.318 -1.325 -16.214 1.00 0.00 H new ATOM 0 HG2 GLU A 176 117.508 0.075 -17.886 1.00 0.00 H new ATOM 0 HG3 GLU A 176 116.009 -0.755 -17.514 1.00 0.00 H new ATOM 2272 N THR A 177 117.305 -3.870 -15.895 1.00 0.00 N ATOM 2273 CA THR A 177 117.238 -5.167 -16.638 1.00 0.00 C ATOM 2274 C THR A 177 116.243 -6.124 -15.964 1.00 0.00 C ATOM 2275 O THR A 177 115.740 -7.040 -16.588 1.00 0.00 O ATOM 2276 CB THR A 177 118.660 -5.740 -16.595 1.00 0.00 C ATOM 2277 OG1 THR A 177 118.679 -6.995 -17.260 1.00 0.00 O ATOM 2278 CG2 THR A 177 119.117 -5.925 -15.145 1.00 0.00 C ATOM 0 H THR A 177 118.150 -3.730 -15.342 1.00 0.00 H new ATOM 0 HA THR A 177 116.893 -5.029 -17.663 1.00 0.00 H new ATOM 0 HB THR A 177 119.338 -5.045 -17.091 1.00 0.00 H new ATOM 0 HG1 THR A 177 119.587 -7.364 -17.236 1.00 0.00 H new ATOM 0 HG21 THR A 177 120.128 -6.332 -15.131 1.00 0.00 H new ATOM 0 HG22 THR A 177 119.107 -4.962 -14.635 1.00 0.00 H new ATOM 0 HG23 THR A 177 118.442 -6.613 -14.636 1.00 0.00 H new ATOM 2286 N THR A 178 115.958 -5.921 -14.701 1.00 0.00 N ATOM 2287 CA THR A 178 114.997 -6.820 -13.991 1.00 0.00 C ATOM 2288 C THR A 178 113.566 -6.559 -14.475 1.00 0.00 C ATOM 2289 O THR A 178 112.785 -7.475 -14.649 1.00 0.00 O ATOM 2290 CB THR A 178 115.130 -6.462 -12.508 1.00 0.00 C ATOM 2291 OG1 THR A 178 116.483 -6.623 -12.105 1.00 0.00 O ATOM 2292 CG2 THR A 178 114.237 -7.383 -11.675 1.00 0.00 C ATOM 0 H THR A 178 116.350 -5.171 -14.131 1.00 0.00 H new ATOM 0 HA THR A 178 115.211 -7.873 -14.177 1.00 0.00 H new ATOM 0 HB THR A 178 114.823 -5.427 -12.355 1.00 0.00 H new ATOM 0 HG1 THR A 178 116.571 -6.393 -11.157 1.00 0.00 H new ATOM 0 HG21 THR A 178 114.333 -7.126 -10.620 1.00 0.00 H new ATOM 0 HG22 THR A 178 113.199 -7.261 -11.985 1.00 0.00 H new ATOM 0 HG23 THR A 178 114.541 -8.419 -11.826 1.00 0.00 H new ATOM 2300 N MET A 179 113.223 -5.314 -14.686 1.00 0.00 N ATOM 2301 CA MET A 179 111.841 -4.979 -15.153 1.00 0.00 C ATOM 2302 C MET A 179 111.551 -5.653 -16.498 1.00 0.00 C ATOM 2303 O MET A 179 110.491 -6.214 -16.703 1.00 0.00 O ATOM 2304 CB MET A 179 111.826 -3.457 -15.307 1.00 0.00 C ATOM 2305 CG MET A 179 110.380 -2.966 -15.402 1.00 0.00 C ATOM 2306 SD MET A 179 110.356 -1.288 -16.082 1.00 0.00 S ATOM 2307 CE MET A 179 110.384 -1.751 -17.832 1.00 0.00 C ATOM 0 H MET A 179 113.840 -4.513 -14.555 1.00 0.00 H new ATOM 0 HA MET A 179 111.081 -5.327 -14.453 1.00 0.00 H new ATOM 0 HB2 MET A 179 112.324 -2.990 -14.457 1.00 0.00 H new ATOM 0 HB3 MET A 179 112.379 -3.166 -16.200 1.00 0.00 H new ATOM 0 HG2 MET A 179 109.798 -3.635 -16.036 1.00 0.00 H new ATOM 0 HG3 MET A 179 109.915 -2.977 -14.416 1.00 0.00 H new ATOM 0 HE1 MET A 179 110.905 -0.983 -18.403 1.00 0.00 H new ATOM 0 HE2 MET A 179 110.901 -2.703 -17.948 1.00 0.00 H new ATOM 0 HE3 MET A 179 109.362 -1.846 -18.200 1.00 0.00 H new ATOM 2317 N ARG A 180 112.485 -5.598 -17.414 1.00 0.00 N ATOM 2318 CA ARG A 180 112.267 -6.233 -18.752 1.00 0.00 C ATOM 2319 C ARG A 180 112.017 -7.736 -18.595 1.00 0.00 C ATOM 2320 O ARG A 180 111.179 -8.307 -19.269 1.00 0.00 O ATOM 2321 CB ARG A 180 113.558 -5.985 -19.536 1.00 0.00 C ATOM 2322 CG ARG A 180 113.720 -4.485 -19.792 1.00 0.00 C ATOM 2323 CD ARG A 180 112.686 -4.032 -20.828 1.00 0.00 C ATOM 2324 NE ARG A 180 112.964 -2.584 -21.038 1.00 0.00 N ATOM 2325 CZ ARG A 180 113.744 -2.204 -22.013 1.00 0.00 C ATOM 2326 NH1 ARG A 180 115.011 -1.986 -21.788 1.00 0.00 N ATOM 2327 NH2 ARG A 180 113.257 -2.042 -23.213 1.00 0.00 N ATOM 0 H ARG A 180 113.389 -5.141 -17.294 1.00 0.00 H new ATOM 0 HA ARG A 180 111.398 -5.817 -19.262 1.00 0.00 H new ATOM 0 HB2 ARG A 180 114.414 -6.364 -18.977 1.00 0.00 H new ATOM 0 HB3 ARG A 180 113.531 -6.525 -20.482 1.00 0.00 H new ATOM 0 HG2 ARG A 180 113.588 -3.930 -18.863 1.00 0.00 H new ATOM 0 HG3 ARG A 180 114.727 -4.272 -20.150 1.00 0.00 H new ATOM 0 HD2 ARG A 180 112.786 -4.592 -21.757 1.00 0.00 H new ATOM 0 HD3 ARG A 180 111.670 -4.191 -20.468 1.00 0.00 H new ATOM 0 HE ARG A 180 112.545 -1.889 -20.420 1.00 0.00 H new ATOM 0 HH11 ARG A 180 115.392 -2.113 -20.850 1.00 0.00 H new ATOM 0 HH12 ARG A 180 115.621 -1.689 -22.550 1.00 0.00 H new ATOM 0 HH21 ARG A 180 112.267 -2.212 -23.389 1.00 0.00 H new ATOM 0 HH22 ARG A 180 113.867 -1.745 -23.975 1.00 0.00 H new ATOM 2341 N ALA A 181 112.735 -8.376 -17.708 1.00 0.00 N ATOM 2342 CA ALA A 181 112.545 -9.844 -17.500 1.00 0.00 C ATOM 2343 C ALA A 181 111.318 -10.096 -16.619 1.00 0.00 C ATOM 2344 O ALA A 181 110.292 -10.556 -17.083 1.00 0.00 O ATOM 2345 CB ALA A 181 113.817 -10.315 -16.794 1.00 0.00 C ATOM 0 H ALA A 181 113.446 -7.945 -17.117 1.00 0.00 H new ATOM 0 HA ALA A 181 112.380 -10.376 -18.437 1.00 0.00 H new ATOM 0 HB1 ALA A 181 113.753 -11.387 -16.606 1.00 0.00 H new ATOM 0 HB2 ALA A 181 114.681 -10.108 -17.425 1.00 0.00 H new ATOM 0 HB3 ALA A 181 113.924 -9.786 -15.847 1.00 0.00 H new