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 97 CYS SG : rot 133:sc= 1.27 USER MOD Set 1.2: A 99 CYS SG : rot -75:sc= 0.451 USER MOD Set 1.3: A 101 SER OG : rot -86:sc= 0.567 USER MOD Set 1.4: A 145 CYS SG : rot 170:sc= -0.276 USER MOD Set 2.1: A 80 GLN : amide:sc= 0.86 K(o=1.9,f=-0.43!) USER MOD Set 2.2: A 178 THR OG1 : rot -158:sc= 1.06 USER MOD Set 3.1: A 57 HIS : no HE2:sc= -6.59! C(o=-6.7!,f=-8.3!) USER MOD Set 3.2: A 139 SER OG : rot -160:sc= -0.0639 USER MOD Set 4.1: A 37 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 38 THR OG1 : rot 85:sc= 0.451 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 46 THR OG1 : rot -110:sc= -0.0776 USER MOD Single : A 47 CYS SG : rot -138:sc= 1.24 USER MOD Single : A 49 ASN : amide:sc= -0.0247 K(o=-0.025,f=-1.5!) USER MOD Single : A 52 CYS SG : rot 180:sc= -0.592 USER MOD Single : A 54 THR OG1 : rot 137:sc= 0.0988 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0617 USER MOD Single : A 72 THR OG1 : rot 28:sc= 0.345 USER MOD Single : A 73 GLN : amide:sc= -1.13 K(o=-1.1,f=-5.5!) USER MOD Single : A 74 MET CE :methyl 145:sc= -0.478 (180deg=-2.1!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 47:sc= 0.193 USER MOD Single : A 77 ASN : amide:sc= -1.38 K(o=-1.4,f=-12!) USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 93 SER OG : rot -160:sc= -0.0297 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0379 USER MOD Single : A 98 THR OG1 : rot 61:sc= 0.123 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 92:sc= 1.26 USER MOD Single : A 110 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-2.8!) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= -0.469 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 150:sc= -0.239 USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 149 HIS :FLIP no HE2:sc=-0.00965 F(o=-1,f=-0.0096) USER MOD Single : A 159 CYS SG : rot 27:sc= -1.75 USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 174 SER OG : rot 180:sc= 0 USER MOD Single : A 175 MET CE :methyl -154:sc= -2.38! (180deg=-2.61!) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 MET CE :methyl 152:sc= -0.393 (180deg=-1.88!) USER MOD ----------------------------------------------------------------- ATOM 149 N GLU A 32 110.036 10.920 -0.468 1.00 0.00 N ATOM 150 CA GLU A 32 110.836 9.927 -1.253 1.00 0.00 C ATOM 151 C GLU A 32 110.925 8.603 -0.485 1.00 0.00 C ATOM 152 O GLU A 32 110.835 7.532 -1.058 1.00 0.00 O ATOM 153 CB GLU A 32 112.225 10.550 -1.403 1.00 0.00 C ATOM 154 CG GLU A 32 112.148 11.752 -2.352 1.00 0.00 C ATOM 155 CD GLU A 32 113.535 12.393 -2.516 1.00 0.00 C ATOM 156 OE1 GLU A 32 113.670 13.241 -3.381 1.00 0.00 O ATOM 157 OE2 GLU A 32 114.437 12.032 -1.773 1.00 0.00 O ATOM 0 HA GLU A 32 110.385 9.711 -2.221 1.00 0.00 H new ATOM 0 HB2 GLU A 32 112.601 10.865 -0.430 1.00 0.00 H new ATOM 0 HB3 GLU A 32 112.926 9.811 -1.791 1.00 0.00 H new ATOM 0 HG2 GLU A 32 111.770 11.433 -3.323 1.00 0.00 H new ATOM 0 HG3 GLU A 32 111.444 12.487 -1.962 1.00 0.00 H new ATOM 164 N VAL A 33 111.097 8.678 0.810 1.00 0.00 N ATOM 165 CA VAL A 33 111.191 7.439 1.638 1.00 0.00 C ATOM 166 C VAL A 33 110.061 7.425 2.673 1.00 0.00 C ATOM 167 O VAL A 33 109.742 8.439 3.266 1.00 0.00 O ATOM 168 CB VAL A 33 112.556 7.518 2.330 1.00 0.00 C ATOM 169 CG1 VAL A 33 112.764 6.278 3.203 1.00 0.00 C ATOM 170 CG2 VAL A 33 113.664 7.581 1.275 1.00 0.00 C ATOM 0 H VAL A 33 111.177 9.551 1.332 1.00 0.00 H new ATOM 0 HA VAL A 33 111.097 6.531 1.042 1.00 0.00 H new ATOM 0 HB VAL A 33 112.590 8.413 2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 33 113.736 6.337 3.694 1.00 0.00 H new ATOM 0 HG12 VAL A 33 111.979 6.228 3.957 1.00 0.00 H new ATOM 0 HG13 VAL A 33 112.726 5.384 2.580 1.00 0.00 H new ATOM 0 HG21 VAL A 33 114.634 7.637 1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 33 113.625 6.687 0.653 1.00 0.00 H new ATOM 0 HG23 VAL A 33 113.523 8.464 0.651 1.00 0.00 H new ATOM 180 N GLN A 34 109.454 6.286 2.890 1.00 0.00 N ATOM 181 CA GLN A 34 108.342 6.205 3.885 1.00 0.00 C ATOM 182 C GLN A 34 108.693 5.220 5.006 1.00 0.00 C ATOM 183 O GLN A 34 109.309 4.195 4.775 1.00 0.00 O ATOM 184 CB GLN A 34 107.118 5.723 3.095 1.00 0.00 C ATOM 185 CG GLN A 34 107.395 4.352 2.469 1.00 0.00 C ATOM 186 CD GLN A 34 106.142 3.864 1.740 1.00 0.00 C ATOM 187 OE1 GLN A 34 105.576 4.578 0.937 1.00 0.00 O ATOM 188 NE2 GLN A 34 105.680 2.669 1.989 1.00 0.00 N ATOM 0 H GLN A 34 109.680 5.409 2.421 1.00 0.00 H new ATOM 0 HA GLN A 34 108.155 7.166 4.364 1.00 0.00 H new ATOM 0 HB2 GLN A 34 106.252 5.661 3.755 1.00 0.00 H new ATOM 0 HB3 GLN A 34 106.873 6.444 2.315 1.00 0.00 H new ATOM 0 HG2 GLN A 34 108.231 4.420 1.773 1.00 0.00 H new ATOM 0 HG3 GLN A 34 107.681 3.638 3.242 1.00 0.00 H new ATOM 0 HE21 GLN A 34 106.155 2.069 2.663 1.00 0.00 H new ATOM 0 HE22 GLN A 34 104.844 2.335 1.509 1.00 0.00 H new ATOM 197 N VAL A 35 108.307 5.533 6.217 1.00 0.00 N ATOM 198 CA VAL A 35 108.616 4.629 7.368 1.00 0.00 C ATOM 199 C VAL A 35 107.544 3.538 7.495 1.00 0.00 C ATOM 200 O VAL A 35 106.375 3.823 7.676 1.00 0.00 O ATOM 201 CB VAL A 35 108.619 5.537 8.607 1.00 0.00 C ATOM 202 CG1 VAL A 35 109.701 6.608 8.448 1.00 0.00 C ATOM 203 CG2 VAL A 35 107.245 6.210 8.779 1.00 0.00 C ATOM 0 H VAL A 35 107.790 6.378 6.459 1.00 0.00 H new ATOM 0 HA VAL A 35 109.570 4.117 7.241 1.00 0.00 H new ATOM 0 HB VAL A 35 108.826 4.933 9.491 1.00 0.00 H new ATOM 0 HG11 VAL A 35 109.705 7.254 9.326 1.00 0.00 H new ATOM 0 HG12 VAL A 35 110.675 6.129 8.345 1.00 0.00 H new ATOM 0 HG13 VAL A 35 109.494 7.205 7.560 1.00 0.00 H new ATOM 0 HG21 VAL A 35 107.261 6.851 9.661 1.00 0.00 H new ATOM 0 HG22 VAL A 35 107.022 6.811 7.898 1.00 0.00 H new ATOM 0 HG23 VAL A 35 106.478 5.445 8.900 1.00 0.00 H new ATOM 213 N VAL A 36 107.937 2.292 7.401 1.00 0.00 N ATOM 214 CA VAL A 36 106.947 1.178 7.518 1.00 0.00 C ATOM 215 C VAL A 36 107.442 0.133 8.527 1.00 0.00 C ATOM 216 O VAL A 36 108.616 -0.188 8.573 1.00 0.00 O ATOM 217 CB VAL A 36 106.845 0.583 6.107 1.00 0.00 C ATOM 218 CG1 VAL A 36 108.212 0.063 5.655 1.00 0.00 C ATOM 219 CG2 VAL A 36 105.838 -0.572 6.109 1.00 0.00 C ATOM 0 H VAL A 36 108.902 1.998 7.248 1.00 0.00 H new ATOM 0 HA VAL A 36 105.976 1.520 7.878 1.00 0.00 H new ATOM 0 HB VAL A 36 106.512 1.360 5.419 1.00 0.00 H new ATOM 0 HG11 VAL A 36 108.128 -0.357 4.653 1.00 0.00 H new ATOM 0 HG12 VAL A 36 108.929 0.884 5.646 1.00 0.00 H new ATOM 0 HG13 VAL A 36 108.554 -0.709 6.344 1.00 0.00 H new ATOM 0 HG21 VAL A 36 105.766 -0.994 5.107 1.00 0.00 H new ATOM 0 HG22 VAL A 36 106.170 -1.343 6.804 1.00 0.00 H new ATOM 0 HG23 VAL A 36 104.860 -0.202 6.418 1.00 0.00 H new ATOM 229 N SER A 37 106.554 -0.393 9.331 1.00 0.00 N ATOM 230 CA SER A 37 106.963 -1.417 10.341 1.00 0.00 C ATOM 231 C SER A 37 106.177 -2.714 10.130 1.00 0.00 C ATOM 232 O SER A 37 105.043 -2.698 9.689 1.00 0.00 O ATOM 233 CB SER A 37 106.618 -0.795 11.694 1.00 0.00 C ATOM 234 OG SER A 37 107.428 0.354 11.903 1.00 0.00 O ATOM 0 H SER A 37 105.562 -0.158 9.332 1.00 0.00 H new ATOM 0 HA SER A 37 108.020 -1.672 10.266 1.00 0.00 H new ATOM 0 HB2 SER A 37 105.563 -0.521 11.723 1.00 0.00 H new ATOM 0 HB3 SER A 37 106.781 -1.519 12.492 1.00 0.00 H new ATOM 0 HG SER A 37 107.208 0.756 12.769 1.00 0.00 H new ATOM 240 N THR A 38 106.776 -3.835 10.444 1.00 0.00 N ATOM 241 CA THR A 38 106.074 -5.144 10.267 1.00 0.00 C ATOM 242 C THR A 38 105.744 -5.750 11.633 1.00 0.00 C ATOM 243 O THR A 38 105.994 -5.152 12.662 1.00 0.00 O ATOM 244 CB THR A 38 107.052 -6.041 9.496 1.00 0.00 C ATOM 245 OG1 THR A 38 107.836 -5.251 8.610 1.00 0.00 O ATOM 246 CG2 THR A 38 106.271 -7.080 8.690 1.00 0.00 C ATOM 0 H THR A 38 107.723 -3.901 10.816 1.00 0.00 H new ATOM 0 HA THR A 38 105.132 -5.033 9.729 1.00 0.00 H new ATOM 0 HB THR A 38 107.707 -6.546 10.206 1.00 0.00 H new ATOM 0 HG1 THR A 38 108.606 -4.885 9.093 1.00 0.00 H new ATOM 0 HG21 THR A 38 106.968 -7.716 8.144 1.00 0.00 H new ATOM 0 HG22 THR A 38 105.675 -7.693 9.367 1.00 0.00 H new ATOM 0 HG23 THR A 38 105.612 -6.573 7.985 1.00 0.00 H new ATOM 254 N ALA A 39 105.173 -6.926 11.644 1.00 0.00 N ATOM 255 CA ALA A 39 104.806 -7.575 12.941 1.00 0.00 C ATOM 256 C ALA A 39 106.053 -7.894 13.776 1.00 0.00 C ATOM 257 O ALA A 39 106.047 -7.742 14.984 1.00 0.00 O ATOM 258 CB ALA A 39 104.080 -8.865 12.553 1.00 0.00 C ATOM 0 H ALA A 39 104.944 -7.467 10.810 1.00 0.00 H new ATOM 0 HA ALA A 39 104.186 -6.920 13.553 1.00 0.00 H new ATOM 0 HB1 ALA A 39 103.779 -9.398 13.455 1.00 0.00 H new ATOM 0 HB2 ALA A 39 103.196 -8.622 11.963 1.00 0.00 H new ATOM 0 HB3 ALA A 39 104.747 -9.495 11.965 1.00 0.00 H new ATOM 264 N THR A 40 107.111 -8.351 13.152 1.00 0.00 N ATOM 265 CA THR A 40 108.348 -8.697 13.926 1.00 0.00 C ATOM 266 C THR A 40 109.579 -7.934 13.412 1.00 0.00 C ATOM 267 O THR A 40 110.616 -7.935 14.048 1.00 0.00 O ATOM 268 CB THR A 40 108.532 -10.207 13.729 1.00 0.00 C ATOM 269 OG1 THR A 40 109.708 -10.628 14.406 1.00 0.00 O ATOM 270 CG2 THR A 40 108.659 -10.532 12.237 1.00 0.00 C ATOM 0 H THR A 40 107.174 -8.500 12.145 1.00 0.00 H new ATOM 0 HA THR A 40 108.245 -8.421 14.975 1.00 0.00 H new ATOM 0 HB THR A 40 107.665 -10.729 14.133 1.00 0.00 H new ATOM 0 HG1 THR A 40 109.828 -11.593 14.284 1.00 0.00 H new ATOM 0 HG21 THR A 40 108.789 -11.607 12.108 1.00 0.00 H new ATOM 0 HG22 THR A 40 107.757 -10.211 11.717 1.00 0.00 H new ATOM 0 HG23 THR A 40 109.522 -10.010 11.823 1.00 0.00 H new ATOM 278 N GLN A 41 109.482 -7.292 12.273 1.00 0.00 N ATOM 279 CA GLN A 41 110.660 -6.543 11.732 1.00 0.00 C ATOM 280 C GLN A 41 110.226 -5.173 11.204 1.00 0.00 C ATOM 281 O GLN A 41 109.059 -4.934 10.970 1.00 0.00 O ATOM 282 CB GLN A 41 111.192 -7.413 10.593 1.00 0.00 C ATOM 283 CG GLN A 41 111.825 -8.680 11.172 1.00 0.00 C ATOM 284 CD GLN A 41 112.300 -9.585 10.032 1.00 0.00 C ATOM 285 OE1 GLN A 41 111.820 -9.487 8.920 1.00 0.00 O ATOM 286 NE2 GLN A 41 113.231 -10.470 10.264 1.00 0.00 N ATOM 0 H GLN A 41 108.642 -7.254 11.696 1.00 0.00 H new ATOM 0 HA GLN A 41 111.417 -6.360 12.495 1.00 0.00 H new ATOM 0 HB2 GLN A 41 110.382 -7.676 9.913 1.00 0.00 H new ATOM 0 HB3 GLN A 41 111.929 -6.859 10.011 1.00 0.00 H new ATOM 0 HG2 GLN A 41 112.665 -8.418 11.815 1.00 0.00 H new ATOM 0 HG3 GLN A 41 111.102 -9.209 11.792 1.00 0.00 H new ATOM 0 HE21 GLN A 41 113.635 -10.553 11.197 1.00 0.00 H new ATOM 0 HE22 GLN A 41 113.555 -11.078 9.512 1.00 0.00 H new ATOM 295 N SER A 42 111.160 -4.275 11.018 1.00 0.00 N ATOM 296 CA SER A 42 110.805 -2.917 10.502 1.00 0.00 C ATOM 297 C SER A 42 111.855 -2.436 9.497 1.00 0.00 C ATOM 298 O SER A 42 113.030 -2.360 9.802 1.00 0.00 O ATOM 299 CB SER A 42 110.790 -2.014 11.736 1.00 0.00 C ATOM 300 OG SER A 42 110.593 -0.667 11.329 1.00 0.00 O ATOM 0 H SER A 42 112.153 -4.423 11.201 1.00 0.00 H new ATOM 0 HA SER A 42 109.847 -2.913 9.982 1.00 0.00 H new ATOM 0 HB2 SER A 42 109.995 -2.321 12.416 1.00 0.00 H new ATOM 0 HB3 SER A 42 111.729 -2.108 12.281 1.00 0.00 H new ATOM 0 HG SER A 42 110.581 -0.085 12.118 1.00 0.00 H new ATOM 306 N PHE A 43 111.435 -2.108 8.304 1.00 0.00 N ATOM 307 CA PHE A 43 112.395 -1.626 7.264 1.00 0.00 C ATOM 308 C PHE A 43 111.810 -0.414 6.532 1.00 0.00 C ATOM 309 O PHE A 43 110.700 0.003 6.805 1.00 0.00 O ATOM 310 CB PHE A 43 112.583 -2.806 6.300 1.00 0.00 C ATOM 311 CG PHE A 43 111.245 -3.237 5.741 1.00 0.00 C ATOM 312 CD1 PHE A 43 110.442 -4.127 6.463 1.00 0.00 C ATOM 313 CD2 PHE A 43 110.811 -2.747 4.505 1.00 0.00 C ATOM 314 CE1 PHE A 43 109.204 -4.525 5.951 1.00 0.00 C ATOM 315 CE2 PHE A 43 109.571 -3.147 3.990 1.00 0.00 C ATOM 316 CZ PHE A 43 108.768 -4.036 4.715 1.00 0.00 C ATOM 0 H PHE A 43 110.462 -2.153 8.002 1.00 0.00 H new ATOM 0 HA PHE A 43 113.345 -1.310 7.696 1.00 0.00 H new ATOM 0 HB2 PHE A 43 113.250 -2.519 5.487 1.00 0.00 H new ATOM 0 HB3 PHE A 43 113.054 -3.640 6.820 1.00 0.00 H new ATOM 0 HD1 PHE A 43 110.779 -4.506 7.416 1.00 0.00 H new ATOM 0 HD2 PHE A 43 111.431 -2.061 3.948 1.00 0.00 H new ATOM 0 HE1 PHE A 43 108.584 -5.210 6.510 1.00 0.00 H new ATOM 0 HE2 PHE A 43 109.235 -2.770 3.035 1.00 0.00 H new ATOM 0 HZ PHE A 43 107.811 -4.344 4.320 1.00 0.00 H new ATOM 326 N LEU A 44 112.548 0.155 5.612 1.00 0.00 N ATOM 327 CA LEU A 44 112.032 1.344 4.869 1.00 0.00 C ATOM 328 C LEU A 44 111.904 1.033 3.375 1.00 0.00 C ATOM 329 O LEU A 44 112.675 0.272 2.822 1.00 0.00 O ATOM 330 CB LEU A 44 113.071 2.446 5.104 1.00 0.00 C ATOM 331 CG LEU A 44 113.200 2.737 6.606 1.00 0.00 C ATOM 332 CD1 LEU A 44 114.213 3.862 6.821 1.00 0.00 C ATOM 333 CD2 LEU A 44 111.846 3.170 7.173 1.00 0.00 C ATOM 0 H LEU A 44 113.483 -0.152 5.344 1.00 0.00 H new ATOM 0 HA LEU A 44 111.040 1.639 5.212 1.00 0.00 H new ATOM 0 HB2 LEU A 44 114.036 2.139 4.701 1.00 0.00 H new ATOM 0 HB3 LEU A 44 112.778 3.352 4.574 1.00 0.00 H new ATOM 0 HG LEU A 44 113.534 1.833 7.115 1.00 0.00 H new ATOM 0 HD11 LEU A 44 114.305 4.070 7.887 1.00 0.00 H new ATOM 0 HD12 LEU A 44 115.182 3.559 6.425 1.00 0.00 H new ATOM 0 HD13 LEU A 44 113.874 4.760 6.305 1.00 0.00 H new ATOM 0 HD21 LEU A 44 111.946 3.374 8.239 1.00 0.00 H new ATOM 0 HD22 LEU A 44 111.508 4.071 6.661 1.00 0.00 H new ATOM 0 HD23 LEU A 44 111.117 2.373 7.024 1.00 0.00 H new ATOM 345 N ALA A 45 110.932 1.620 2.725 1.00 0.00 N ATOM 346 CA ALA A 45 110.741 1.370 1.264 1.00 0.00 C ATOM 347 C ALA A 45 111.105 2.624 0.464 1.00 0.00 C ATOM 348 O ALA A 45 111.057 3.729 0.971 1.00 0.00 O ATOM 349 CB ALA A 45 109.254 1.048 1.109 1.00 0.00 C ATOM 0 H ALA A 45 110.261 2.263 3.144 1.00 0.00 H new ATOM 0 HA ALA A 45 111.373 0.562 0.895 1.00 0.00 H new ATOM 0 HB1 ALA A 45 109.032 0.851 0.060 1.00 0.00 H new ATOM 0 HB2 ALA A 45 109.008 0.168 1.703 1.00 0.00 H new ATOM 0 HB3 ALA A 45 108.661 1.895 1.453 1.00 0.00 H new ATOM 355 N THR A 46 111.472 2.458 -0.782 1.00 0.00 N ATOM 356 CA THR A 46 111.845 3.636 -1.622 1.00 0.00 C ATOM 357 C THR A 46 111.094 3.595 -2.956 1.00 0.00 C ATOM 358 O THR A 46 110.865 2.539 -3.514 1.00 0.00 O ATOM 359 CB THR A 46 113.353 3.502 -1.848 1.00 0.00 C ATOM 360 OG1 THR A 46 113.623 2.275 -2.510 1.00 0.00 O ATOM 361 CG2 THR A 46 114.081 3.529 -0.502 1.00 0.00 C ATOM 0 H THR A 46 111.529 1.556 -1.254 1.00 0.00 H new ATOM 0 HA THR A 46 111.588 4.581 -1.144 1.00 0.00 H new ATOM 0 HB THR A 46 113.702 4.332 -2.462 1.00 0.00 H new ATOM 0 HG1 THR A 46 114.075 1.663 -1.893 1.00 0.00 H new ATOM 0 HG21 THR A 46 115.154 3.433 -0.667 1.00 0.00 H new ATOM 0 HG22 THR A 46 113.874 4.472 0.005 1.00 0.00 H new ATOM 0 HG23 THR A 46 113.734 2.701 0.116 1.00 0.00 H new ATOM 369 N CYS A 47 110.711 4.738 -3.468 1.00 0.00 N ATOM 370 CA CYS A 47 109.972 4.770 -4.766 1.00 0.00 C ATOM 371 C CYS A 47 110.917 5.151 -5.911 1.00 0.00 C ATOM 372 O CYS A 47 111.446 6.245 -5.950 1.00 0.00 O ATOM 373 CB CYS A 47 108.897 5.841 -4.582 1.00 0.00 C ATOM 374 SG CYS A 47 107.752 5.794 -5.983 1.00 0.00 S ATOM 0 H CYS A 47 110.878 5.650 -3.043 1.00 0.00 H new ATOM 0 HA CYS A 47 109.545 3.800 -5.019 1.00 0.00 H new ATOM 0 HB2 CYS A 47 108.356 5.672 -3.651 1.00 0.00 H new ATOM 0 HB3 CYS A 47 109.358 6.826 -4.509 1.00 0.00 H new ATOM 0 HG CYS A 47 107.476 7.008 -6.359 1.00 0.00 H new ATOM 380 N VAL A 48 111.127 4.253 -6.841 1.00 0.00 N ATOM 381 CA VAL A 48 112.034 4.552 -7.990 1.00 0.00 C ATOM 382 C VAL A 48 111.337 4.206 -9.311 1.00 0.00 C ATOM 383 O VAL A 48 110.810 3.124 -9.480 1.00 0.00 O ATOM 384 CB VAL A 48 113.263 3.661 -7.777 1.00 0.00 C ATOM 385 CG1 VAL A 48 114.269 3.889 -8.909 1.00 0.00 C ATOM 386 CG2 VAL A 48 113.922 4.007 -6.439 1.00 0.00 C ATOM 0 H VAL A 48 110.708 3.323 -6.853 1.00 0.00 H new ATOM 0 HA VAL A 48 112.306 5.606 -8.039 1.00 0.00 H new ATOM 0 HB VAL A 48 112.951 2.617 -7.772 1.00 0.00 H new ATOM 0 HG11 VAL A 48 115.141 3.254 -8.754 1.00 0.00 H new ATOM 0 HG12 VAL A 48 113.805 3.641 -9.864 1.00 0.00 H new ATOM 0 HG13 VAL A 48 114.578 4.934 -8.916 1.00 0.00 H new ATOM 0 HG21 VAL A 48 114.796 3.373 -6.289 1.00 0.00 H new ATOM 0 HG22 VAL A 48 114.229 5.053 -6.444 1.00 0.00 H new ATOM 0 HG23 VAL A 48 113.211 3.842 -5.630 1.00 0.00 H new ATOM 396 N ASN A 49 111.341 5.120 -10.253 1.00 0.00 N ATOM 397 CA ASN A 49 110.690 4.865 -11.581 1.00 0.00 C ATOM 398 C ASN A 49 109.238 4.396 -11.403 1.00 0.00 C ATOM 399 O ASN A 49 108.770 3.523 -12.110 1.00 0.00 O ATOM 400 CB ASN A 49 111.530 3.767 -12.241 1.00 0.00 C ATOM 401 CG ASN A 49 112.896 4.337 -12.634 1.00 0.00 C ATOM 402 OD1 ASN A 49 113.035 5.527 -12.837 1.00 0.00 O ATOM 403 ND2 ASN A 49 113.917 3.532 -12.748 1.00 0.00 N ATOM 0 H ASN A 49 111.771 6.040 -10.159 1.00 0.00 H new ATOM 0 HA ASN A 49 110.651 5.770 -12.187 1.00 0.00 H new ATOM 0 HB2 ASN A 49 111.657 2.929 -11.555 1.00 0.00 H new ATOM 0 HB3 ASN A 49 111.017 3.382 -13.122 1.00 0.00 H new ATOM 0 HD21 ASN A 49 114.832 3.902 -13.007 1.00 0.00 H new ATOM 0 HD22 ASN A 49 113.800 2.533 -12.578 1.00 0.00 H new ATOM 410 N GLY A 50 108.525 4.980 -10.474 1.00 0.00 N ATOM 411 CA GLY A 50 107.101 4.583 -10.252 1.00 0.00 C ATOM 412 C GLY A 50 107.024 3.151 -9.707 1.00 0.00 C ATOM 413 O GLY A 50 105.999 2.501 -9.808 1.00 0.00 O ATOM 0 H GLY A 50 108.868 5.717 -9.858 1.00 0.00 H new ATOM 0 HA2 GLY A 50 106.630 5.272 -9.551 1.00 0.00 H new ATOM 0 HA3 GLY A 50 106.547 4.653 -11.188 1.00 0.00 H new ATOM 417 N VAL A 51 108.090 2.655 -9.130 1.00 0.00 N ATOM 418 CA VAL A 51 108.071 1.266 -8.577 1.00 0.00 C ATOM 419 C VAL A 51 108.620 1.266 -7.147 1.00 0.00 C ATOM 420 O VAL A 51 109.733 1.690 -6.903 1.00 0.00 O ATOM 421 CB VAL A 51 108.981 0.454 -9.507 1.00 0.00 C ATOM 422 CG1 VAL A 51 109.037 -1.001 -9.033 1.00 0.00 C ATOM 423 CG2 VAL A 51 108.425 0.497 -10.934 1.00 0.00 C ATOM 0 H VAL A 51 108.973 3.153 -9.018 1.00 0.00 H new ATOM 0 HA VAL A 51 107.065 0.849 -8.532 1.00 0.00 H new ATOM 0 HB VAL A 51 109.983 0.882 -9.490 1.00 0.00 H new ATOM 0 HG11 VAL A 51 109.684 -1.575 -9.696 1.00 0.00 H new ATOM 0 HG12 VAL A 51 109.433 -1.038 -8.018 1.00 0.00 H new ATOM 0 HG13 VAL A 51 108.034 -1.427 -9.047 1.00 0.00 H new ATOM 0 HG21 VAL A 51 109.072 -0.080 -11.594 1.00 0.00 H new ATOM 0 HG22 VAL A 51 107.422 0.071 -10.947 1.00 0.00 H new ATOM 0 HG23 VAL A 51 108.385 1.531 -11.278 1.00 0.00 H new ATOM 433 N CYS A 52 107.850 0.784 -6.204 1.00 0.00 N ATOM 434 CA CYS A 52 108.328 0.745 -4.790 1.00 0.00 C ATOM 435 C CYS A 52 109.236 -0.468 -4.590 1.00 0.00 C ATOM 436 O CYS A 52 108.785 -1.597 -4.611 1.00 0.00 O ATOM 437 CB CYS A 52 107.061 0.618 -3.943 1.00 0.00 C ATOM 438 SG CYS A 52 107.499 0.679 -2.187 1.00 0.00 S ATOM 0 H CYS A 52 106.911 0.416 -6.353 1.00 0.00 H new ATOM 0 HA CYS A 52 108.904 1.629 -4.517 1.00 0.00 H new ATOM 0 HB2 CYS A 52 106.368 1.424 -4.184 1.00 0.00 H new ATOM 0 HB3 CYS A 52 106.552 -0.319 -4.169 1.00 0.00 H new ATOM 0 HG CYS A 52 106.422 0.573 -1.467 1.00 0.00 H new ATOM 444 N TRP A 53 110.513 -0.244 -4.405 1.00 0.00 N ATOM 445 CA TRP A 53 111.457 -1.385 -4.218 1.00 0.00 C ATOM 446 C TRP A 53 111.729 -1.634 -2.732 1.00 0.00 C ATOM 447 O TRP A 53 111.931 -0.713 -1.962 1.00 0.00 O ATOM 448 CB TRP A 53 112.740 -0.959 -4.931 1.00 0.00 C ATOM 449 CG TRP A 53 112.651 -1.317 -6.380 1.00 0.00 C ATOM 450 CD1 TRP A 53 112.204 -0.496 -7.357 1.00 0.00 C ATOM 451 CD2 TRP A 53 113.007 -2.571 -7.029 1.00 0.00 C ATOM 452 NE1 TRP A 53 112.265 -1.167 -8.567 1.00 0.00 N ATOM 453 CE2 TRP A 53 112.753 -2.449 -8.416 1.00 0.00 C ATOM 454 CE3 TRP A 53 113.522 -3.792 -6.555 1.00 0.00 C ATOM 455 CZ2 TRP A 53 113.000 -3.500 -9.300 1.00 0.00 C ATOM 456 CZ3 TRP A 53 113.773 -4.852 -7.441 1.00 0.00 C ATOM 457 CH2 TRP A 53 113.512 -4.705 -8.812 1.00 0.00 C ATOM 0 H TRP A 53 110.942 0.681 -4.376 1.00 0.00 H new ATOM 0 HA TRP A 53 111.051 -2.314 -4.618 1.00 0.00 H new ATOM 0 HB2 TRP A 53 112.890 0.115 -4.820 1.00 0.00 H new ATOM 0 HB3 TRP A 53 113.601 -1.450 -4.477 1.00 0.00 H new ATOM 0 HD1 TRP A 53 111.856 0.517 -7.217 1.00 0.00 H new ATOM 0 HE1 TRP A 53 111.984 -0.763 -9.460 1.00 0.00 H new ATOM 0 HE3 TRP A 53 113.726 -3.915 -5.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 112.797 -3.383 -10.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 114.169 -5.784 -7.066 1.00 0.00 H new ATOM 0 HH2 TRP A 53 113.707 -5.523 -9.490 1.00 0.00 H new ATOM 468 N THR A 54 111.750 -2.879 -2.339 1.00 0.00 N ATOM 469 CA THR A 54 112.025 -3.226 -0.914 1.00 0.00 C ATOM 470 C THR A 54 112.995 -4.412 -0.860 1.00 0.00 C ATOM 471 O THR A 54 113.328 -4.990 -1.879 1.00 0.00 O ATOM 472 CB THR A 54 110.661 -3.582 -0.302 1.00 0.00 C ATOM 473 OG1 THR A 54 110.832 -3.901 1.073 1.00 0.00 O ATOM 474 CG2 THR A 54 110.041 -4.778 -1.032 1.00 0.00 C ATOM 0 H THR A 54 111.587 -3.679 -2.950 1.00 0.00 H new ATOM 0 HA THR A 54 112.490 -2.409 -0.362 1.00 0.00 H new ATOM 0 HB THR A 54 109.994 -2.726 -0.404 1.00 0.00 H new ATOM 0 HG1 THR A 54 110.117 -3.483 1.597 1.00 0.00 H new ATOM 0 HG21 THR A 54 109.076 -5.016 -0.585 1.00 0.00 H new ATOM 0 HG22 THR A 54 109.903 -4.530 -2.084 1.00 0.00 H new ATOM 0 HG23 THR A 54 110.703 -5.640 -0.946 1.00 0.00 H new ATOM 482 N VAL A 55 113.460 -4.770 0.309 1.00 0.00 N ATOM 483 CA VAL A 55 114.422 -5.911 0.416 1.00 0.00 C ATOM 484 C VAL A 55 113.671 -7.248 0.378 1.00 0.00 C ATOM 485 O VAL A 55 112.582 -7.373 0.906 1.00 0.00 O ATOM 486 CB VAL A 55 115.133 -5.723 1.758 1.00 0.00 C ATOM 487 CG1 VAL A 55 116.208 -6.802 1.917 1.00 0.00 C ATOM 488 CG2 VAL A 55 115.795 -4.338 1.807 1.00 0.00 C ATOM 0 H VAL A 55 113.217 -4.324 1.193 1.00 0.00 H new ATOM 0 HA VAL A 55 115.131 -5.926 -0.412 1.00 0.00 H new ATOM 0 HB VAL A 55 114.405 -5.804 2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 55 116.717 -6.671 2.872 1.00 0.00 H new ATOM 0 HG12 VAL A 55 115.742 -7.787 1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 55 116.931 -6.717 1.106 1.00 0.00 H new ATOM 0 HG21 VAL A 55 116.300 -4.210 2.765 1.00 0.00 H new ATOM 0 HG22 VAL A 55 116.522 -4.254 0.999 1.00 0.00 H new ATOM 0 HG23 VAL A 55 115.034 -3.567 1.692 1.00 0.00 H new ATOM 498 N TYR A 56 114.242 -8.240 -0.264 1.00 0.00 N ATOM 499 CA TYR A 56 113.561 -9.571 -0.367 1.00 0.00 C ATOM 500 C TYR A 56 113.625 -10.354 0.955 1.00 0.00 C ATOM 501 O TYR A 56 112.650 -10.964 1.355 1.00 0.00 O ATOM 502 CB TYR A 56 114.332 -10.316 -1.463 1.00 0.00 C ATOM 503 CG TYR A 56 113.766 -11.708 -1.648 1.00 0.00 C ATOM 504 CD1 TYR A 56 112.856 -11.966 -2.676 1.00 0.00 C ATOM 505 CD2 TYR A 56 114.152 -12.735 -0.780 1.00 0.00 C ATOM 506 CE1 TYR A 56 112.331 -13.253 -2.841 1.00 0.00 C ATOM 507 CE2 TYR A 56 113.631 -14.022 -0.943 1.00 0.00 C ATOM 508 CZ TYR A 56 112.720 -14.282 -1.974 1.00 0.00 C ATOM 509 OH TYR A 56 112.204 -15.552 -2.135 1.00 0.00 O ATOM 0 H TYR A 56 115.152 -8.185 -0.722 1.00 0.00 H new ATOM 0 HA TYR A 56 112.501 -9.458 -0.594 1.00 0.00 H new ATOM 0 HB2 TYR A 56 114.271 -9.763 -2.400 1.00 0.00 H new ATOM 0 HB3 TYR A 56 115.387 -10.377 -1.198 1.00 0.00 H new ATOM 0 HD1 TYR A 56 112.557 -11.172 -3.344 1.00 0.00 H new ATOM 0 HD2 TYR A 56 114.853 -12.533 0.017 1.00 0.00 H new ATOM 0 HE1 TYR A 56 111.627 -13.452 -3.636 1.00 0.00 H new ATOM 0 HE2 TYR A 56 113.931 -14.815 -0.274 1.00 0.00 H new ATOM 0 HH TYR A 56 112.578 -16.146 -1.451 1.00 0.00 H new ATOM 519 N HIS A 57 114.756 -10.368 1.621 1.00 0.00 N ATOM 520 CA HIS A 57 114.848 -11.148 2.895 1.00 0.00 C ATOM 521 C HIS A 57 113.948 -10.538 3.980 1.00 0.00 C ATOM 522 O HIS A 57 113.685 -11.158 4.993 1.00 0.00 O ATOM 523 CB HIS A 57 116.334 -11.144 3.295 1.00 0.00 C ATOM 524 CG HIS A 57 116.804 -9.776 3.730 1.00 0.00 C ATOM 525 ND1 HIS A 57 117.980 -9.208 3.222 1.00 0.00 N ATOM 526 CD2 HIS A 57 116.315 -8.870 4.645 1.00 0.00 C ATOM 527 CE1 HIS A 57 118.155 -8.018 3.831 1.00 0.00 C ATOM 528 NE2 HIS A 57 117.171 -7.789 4.685 1.00 0.00 N ATOM 0 H HIS A 57 115.607 -9.880 1.342 1.00 0.00 H new ATOM 0 HA HIS A 57 114.494 -12.171 2.767 1.00 0.00 H new ATOM 0 HB2 HIS A 57 116.492 -11.855 4.106 1.00 0.00 H new ATOM 0 HB3 HIS A 57 116.936 -11.482 2.452 1.00 0.00 H new ATOM 0 HD1 HIS A 57 118.593 -9.620 2.519 1.00 0.00 H new ATOM 0 HD2 HIS A 57 115.415 -8.986 5.231 1.00 0.00 H new ATOM 0 HE1 HIS A 57 118.981 -7.347 3.648 1.00 0.00 H new ATOM 536 N GLY A 58 113.471 -9.332 3.775 1.00 0.00 N ATOM 537 CA GLY A 58 112.583 -8.694 4.789 1.00 0.00 C ATOM 538 C GLY A 58 111.122 -9.007 4.451 1.00 0.00 C ATOM 539 O GLY A 58 110.563 -9.979 4.921 1.00 0.00 O ATOM 0 H GLY A 58 113.661 -8.765 2.948 1.00 0.00 H new ATOM 0 HA2 GLY A 58 112.825 -9.064 5.785 1.00 0.00 H new ATOM 0 HA3 GLY A 58 112.742 -7.616 4.802 1.00 0.00 H new ATOM 543 N ALA A 59 110.507 -8.188 3.635 1.00 0.00 N ATOM 544 CA ALA A 59 109.079 -8.429 3.256 1.00 0.00 C ATOM 545 C ALA A 59 108.963 -9.656 2.344 1.00 0.00 C ATOM 546 O ALA A 59 108.042 -10.442 2.463 1.00 0.00 O ATOM 547 CB ALA A 59 108.644 -7.167 2.509 1.00 0.00 C ATOM 0 H ALA A 59 110.932 -7.362 3.214 1.00 0.00 H new ATOM 0 HA ALA A 59 108.455 -8.624 4.128 1.00 0.00 H new ATOM 0 HB1 ALA A 59 107.604 -7.268 2.198 1.00 0.00 H new ATOM 0 HB2 ALA A 59 108.744 -6.303 3.166 1.00 0.00 H new ATOM 0 HB3 ALA A 59 109.274 -7.029 1.630 1.00 0.00 H new ATOM 553 N GLY A 60 109.885 -9.817 1.427 1.00 0.00 N ATOM 554 CA GLY A 60 109.835 -10.982 0.489 1.00 0.00 C ATOM 555 C GLY A 60 109.815 -12.301 1.271 1.00 0.00 C ATOM 556 O GLY A 60 109.299 -13.297 0.800 1.00 0.00 O ATOM 0 H GLY A 60 110.675 -9.187 1.287 1.00 0.00 H new ATOM 0 HA2 GLY A 60 108.948 -10.912 -0.140 1.00 0.00 H new ATOM 0 HA3 GLY A 60 110.699 -10.959 -0.175 1.00 0.00 H new ATOM 719 N THR A 72 100.648 -8.260 -3.911 1.00 0.00 N ATOM 720 CA THR A 72 101.426 -9.361 -4.551 1.00 0.00 C ATOM 721 C THR A 72 102.759 -8.818 -5.078 1.00 0.00 C ATOM 722 O THR A 72 102.800 -7.806 -5.753 1.00 0.00 O ATOM 723 CB THR A 72 100.549 -9.848 -5.707 1.00 0.00 C ATOM 724 OG1 THR A 72 99.255 -10.163 -5.214 1.00 0.00 O ATOM 725 CG2 THR A 72 101.177 -11.093 -6.335 1.00 0.00 C ATOM 0 HA THR A 72 101.660 -10.166 -3.854 1.00 0.00 H new ATOM 0 HB THR A 72 100.470 -9.065 -6.461 1.00 0.00 H new ATOM 0 HG1 THR A 72 99.066 -9.619 -4.421 1.00 0.00 H new ATOM 0 HG21 THR A 72 100.552 -11.440 -7.158 1.00 0.00 H new ATOM 0 HG22 THR A 72 102.171 -10.849 -6.711 1.00 0.00 H new ATOM 0 HG23 THR A 72 101.256 -11.879 -5.584 1.00 0.00 H new ATOM 733 N GLN A 73 103.846 -9.479 -4.769 1.00 0.00 N ATOM 734 CA GLN A 73 105.180 -8.999 -5.244 1.00 0.00 C ATOM 735 C GLN A 73 105.381 -9.352 -6.721 1.00 0.00 C ATOM 736 O GLN A 73 105.560 -10.503 -7.074 1.00 0.00 O ATOM 737 CB GLN A 73 106.202 -9.733 -4.376 1.00 0.00 C ATOM 738 CG GLN A 73 106.136 -9.199 -2.944 1.00 0.00 C ATOM 739 CD GLN A 73 107.092 -9.997 -2.057 1.00 0.00 C ATOM 740 OE1 GLN A 73 108.210 -9.583 -1.822 1.00 0.00 O ATOM 741 NE2 GLN A 73 106.697 -11.133 -1.551 1.00 0.00 N ATOM 0 H GLN A 73 103.868 -10.331 -4.208 1.00 0.00 H new ATOM 0 HA GLN A 73 105.277 -7.916 -5.161 1.00 0.00 H new ATOM 0 HB2 GLN A 73 106.000 -10.804 -4.385 1.00 0.00 H new ATOM 0 HB3 GLN A 73 107.205 -9.594 -4.781 1.00 0.00 H new ATOM 0 HG2 GLN A 73 106.403 -8.142 -2.926 1.00 0.00 H new ATOM 0 HG3 GLN A 73 105.118 -9.277 -2.562 1.00 0.00 H new ATOM 0 HE21 GLN A 73 105.758 -11.480 -1.748 1.00 0.00 H new ATOM 0 HE22 GLN A 73 107.327 -11.674 -0.958 1.00 0.00 H new ATOM 750 N MET A 74 105.358 -8.366 -7.580 1.00 0.00 N ATOM 751 CA MET A 74 105.553 -8.629 -9.039 1.00 0.00 C ATOM 752 C MET A 74 107.003 -9.041 -9.311 1.00 0.00 C ATOM 753 O MET A 74 107.273 -9.868 -10.161 1.00 0.00 O ATOM 754 CB MET A 74 105.232 -7.305 -9.736 1.00 0.00 C ATOM 755 CG MET A 74 105.272 -7.505 -11.253 1.00 0.00 C ATOM 756 SD MET A 74 103.889 -8.557 -11.764 1.00 0.00 S ATOM 757 CE MET A 74 102.553 -7.480 -11.190 1.00 0.00 C ATOM 0 H MET A 74 105.212 -7.387 -7.334 1.00 0.00 H new ATOM 0 HA MET A 74 104.917 -9.438 -9.398 1.00 0.00 H new ATOM 0 HB2 MET A 74 104.248 -6.950 -9.431 1.00 0.00 H new ATOM 0 HB3 MET A 74 105.952 -6.542 -9.440 1.00 0.00 H new ATOM 0 HG2 MET A 74 105.215 -6.541 -11.759 1.00 0.00 H new ATOM 0 HG3 MET A 74 106.217 -7.963 -11.545 1.00 0.00 H new ATOM 0 HE1 MET A 74 101.707 -7.554 -11.874 1.00 0.00 H new ATOM 0 HE2 MET A 74 102.241 -7.788 -10.192 1.00 0.00 H new ATOM 0 HE3 MET A 74 102.905 -6.449 -11.158 1.00 0.00 H new ATOM 767 N TYR A 75 107.934 -8.466 -8.593 1.00 0.00 N ATOM 768 CA TYR A 75 109.373 -8.813 -8.802 1.00 0.00 C ATOM 769 C TYR A 75 109.898 -9.608 -7.602 1.00 0.00 C ATOM 770 O TYR A 75 109.749 -9.196 -6.467 1.00 0.00 O ATOM 771 CB TYR A 75 110.100 -7.467 -8.898 1.00 0.00 C ATOM 772 CG TYR A 75 109.554 -6.665 -10.057 1.00 0.00 C ATOM 773 CD1 TYR A 75 109.721 -7.123 -11.369 1.00 0.00 C ATOM 774 CD2 TYR A 75 108.882 -5.460 -9.816 1.00 0.00 C ATOM 775 CE1 TYR A 75 109.216 -6.375 -12.441 1.00 0.00 C ATOM 776 CE2 TYR A 75 108.376 -4.714 -10.887 1.00 0.00 C ATOM 777 CZ TYR A 75 108.544 -5.171 -12.199 1.00 0.00 C ATOM 778 OH TYR A 75 108.046 -4.434 -13.255 1.00 0.00 O ATOM 0 H TYR A 75 107.759 -7.769 -7.869 1.00 0.00 H new ATOM 0 HA TYR A 75 109.524 -9.425 -9.692 1.00 0.00 H new ATOM 0 HB2 TYR A 75 109.975 -6.910 -7.969 1.00 0.00 H new ATOM 0 HB3 TYR A 75 111.169 -7.631 -9.030 1.00 0.00 H new ATOM 0 HD1 TYR A 75 110.239 -8.052 -11.555 1.00 0.00 H new ATOM 0 HD2 TYR A 75 108.754 -5.106 -8.804 1.00 0.00 H new ATOM 0 HE1 TYR A 75 109.345 -6.727 -13.454 1.00 0.00 H new ATOM 0 HE2 TYR A 75 107.856 -3.786 -10.701 1.00 0.00 H new ATOM 0 HH TYR A 75 107.607 -3.627 -12.913 1.00 0.00 H new ATOM 788 N THR A 76 110.509 -10.741 -7.845 1.00 0.00 N ATOM 789 CA THR A 76 111.045 -11.565 -6.717 1.00 0.00 C ATOM 790 C THR A 76 112.355 -12.245 -7.129 1.00 0.00 C ATOM 791 O THR A 76 112.398 -13.001 -8.081 1.00 0.00 O ATOM 792 CB THR A 76 109.963 -12.612 -6.446 1.00 0.00 C ATOM 793 OG1 THR A 76 109.504 -13.146 -7.680 1.00 0.00 O ATOM 794 CG2 THR A 76 108.795 -11.962 -5.703 1.00 0.00 C ATOM 0 H THR A 76 110.660 -11.131 -8.775 1.00 0.00 H new ATOM 0 HA THR A 76 111.265 -10.963 -5.835 1.00 0.00 H new ATOM 0 HB THR A 76 110.378 -13.413 -5.834 1.00 0.00 H new ATOM 0 HG1 THR A 76 110.272 -13.373 -8.244 1.00 0.00 H new ATOM 0 HG21 THR A 76 108.025 -12.709 -5.511 1.00 0.00 H new ATOM 0 HG22 THR A 76 109.148 -11.553 -4.756 1.00 0.00 H new ATOM 0 HG23 THR A 76 108.378 -11.160 -6.312 1.00 0.00 H new ATOM 802 N ASN A 77 113.422 -11.981 -6.415 1.00 0.00 N ATOM 803 CA ASN A 77 114.733 -12.610 -6.760 1.00 0.00 C ATOM 804 C ASN A 77 115.602 -12.762 -5.506 1.00 0.00 C ATOM 805 O ASN A 77 116.075 -11.787 -4.951 1.00 0.00 O ATOM 806 CB ASN A 77 115.386 -11.641 -7.748 1.00 0.00 C ATOM 807 CG ASN A 77 116.669 -12.260 -8.308 1.00 0.00 C ATOM 808 OD1 ASN A 77 117.230 -13.166 -7.723 1.00 0.00 O ATOM 809 ND2 ASN A 77 117.163 -11.802 -9.427 1.00 0.00 N ATOM 0 H ASN A 77 113.441 -11.357 -5.608 1.00 0.00 H new ATOM 0 HA ASN A 77 114.611 -13.608 -7.181 1.00 0.00 H new ATOM 0 HB2 ASN A 77 114.695 -11.415 -8.560 1.00 0.00 H new ATOM 0 HB3 ASN A 77 115.613 -10.698 -7.251 1.00 0.00 H new ATOM 0 HD21 ASN A 77 118.019 -12.205 -9.809 1.00 0.00 H new ATOM 0 HD22 ASN A 77 116.693 -11.042 -9.919 1.00 0.00 H new ATOM 816 N VAL A 78 115.821 -13.976 -5.061 1.00 0.00 N ATOM 817 CA VAL A 78 116.669 -14.189 -3.846 1.00 0.00 C ATOM 818 C VAL A 78 118.130 -13.864 -4.176 1.00 0.00 C ATOM 819 O VAL A 78 118.857 -13.345 -3.349 1.00 0.00 O ATOM 820 CB VAL A 78 116.494 -15.670 -3.473 1.00 0.00 C ATOM 821 CG1 VAL A 78 117.394 -16.032 -2.279 1.00 0.00 C ATOM 822 CG2 VAL A 78 115.035 -15.924 -3.086 1.00 0.00 C ATOM 0 H VAL A 78 115.450 -14.826 -5.485 1.00 0.00 H new ATOM 0 HA VAL A 78 116.380 -13.544 -3.016 1.00 0.00 H new ATOM 0 HB VAL A 78 116.771 -16.283 -4.331 1.00 0.00 H new ATOM 0 HG11 VAL A 78 117.259 -17.084 -2.027 1.00 0.00 H new ATOM 0 HG12 VAL A 78 118.437 -15.853 -2.542 1.00 0.00 H new ATOM 0 HG13 VAL A 78 117.125 -15.416 -1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 78 114.906 -16.973 -2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 78 114.771 -15.299 -2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 78 114.387 -15.681 -3.928 1.00 0.00 H new ATOM 832 N ASP A 79 118.564 -14.159 -5.378 1.00 0.00 N ATOM 833 CA ASP A 79 119.983 -13.859 -5.761 1.00 0.00 C ATOM 834 C ASP A 79 120.236 -12.354 -5.636 1.00 0.00 C ATOM 835 O ASP A 79 121.273 -11.925 -5.166 1.00 0.00 O ATOM 836 CB ASP A 79 120.113 -14.313 -7.218 1.00 0.00 C ATOM 837 CG ASP A 79 121.539 -14.054 -7.714 1.00 0.00 C ATOM 838 OD1 ASP A 79 122.299 -15.004 -7.793 1.00 0.00 O ATOM 839 OD2 ASP A 79 121.844 -12.910 -8.007 1.00 0.00 O ATOM 0 H ASP A 79 118.000 -14.593 -6.109 1.00 0.00 H new ATOM 0 HA ASP A 79 120.707 -14.365 -5.122 1.00 0.00 H new ATOM 0 HB2 ASP A 79 119.876 -15.374 -7.301 1.00 0.00 H new ATOM 0 HB3 ASP A 79 119.398 -13.777 -7.841 1.00 0.00 H new ATOM 844 N GLN A 80 119.281 -11.556 -6.035 1.00 0.00 N ATOM 845 CA GLN A 80 119.434 -10.077 -5.925 1.00 0.00 C ATOM 846 C GLN A 80 118.906 -9.591 -4.564 1.00 0.00 C ATOM 847 O GLN A 80 119.160 -8.475 -4.156 1.00 0.00 O ATOM 848 CB GLN A 80 118.589 -9.506 -7.067 1.00 0.00 C ATOM 849 CG GLN A 80 118.708 -7.979 -7.081 1.00 0.00 C ATOM 850 CD GLN A 80 117.893 -7.401 -8.244 1.00 0.00 C ATOM 851 OE1 GLN A 80 117.209 -8.121 -8.948 1.00 0.00 O ATOM 852 NE2 GLN A 80 117.938 -6.118 -8.477 1.00 0.00 N ATOM 0 H GLN A 80 118.396 -11.868 -6.435 1.00 0.00 H new ATOM 0 HA GLN A 80 120.475 -9.761 -5.993 1.00 0.00 H new ATOM 0 HB2 GLN A 80 118.923 -9.916 -8.020 1.00 0.00 H new ATOM 0 HB3 GLN A 80 117.546 -9.798 -6.943 1.00 0.00 H new ATOM 0 HG2 GLN A 80 118.350 -7.569 -6.136 1.00 0.00 H new ATOM 0 HG3 GLN A 80 119.754 -7.688 -7.179 1.00 0.00 H new ATOM 0 HE21 GLN A 80 118.510 -5.513 -7.889 1.00 0.00 H new ATOM 0 HE22 GLN A 80 117.401 -5.720 -9.248 1.00 0.00 H new ATOM 861 N ASP A 81 118.168 -10.425 -3.858 1.00 0.00 N ATOM 862 CA ASP A 81 117.615 -10.030 -2.524 1.00 0.00 C ATOM 863 C ASP A 81 116.802 -8.737 -2.636 1.00 0.00 C ATOM 864 O ASP A 81 116.872 -7.879 -1.776 1.00 0.00 O ATOM 865 CB ASP A 81 118.833 -9.818 -1.615 1.00 0.00 C ATOM 866 CG ASP A 81 118.380 -9.692 -0.155 1.00 0.00 C ATOM 867 OD1 ASP A 81 117.256 -10.052 0.164 1.00 0.00 O ATOM 868 OD2 ASP A 81 119.264 -9.176 0.772 1.00 0.00 O ATOM 0 H ASP A 81 117.926 -11.370 -4.156 1.00 0.00 H new ATOM 0 HA ASP A 81 116.944 -10.793 -2.129 1.00 0.00 H new ATOM 0 HB2 ASP A 81 119.525 -10.654 -1.719 1.00 0.00 H new ATOM 0 HB3 ASP A 81 119.371 -8.919 -1.917 1.00 0.00 H new ATOM 874 N LEU A 82 116.036 -8.590 -3.690 1.00 0.00 N ATOM 875 CA LEU A 82 115.223 -7.348 -3.855 1.00 0.00 C ATOM 876 C LEU A 82 113.869 -7.655 -4.506 1.00 0.00 C ATOM 877 O LEU A 82 113.736 -8.565 -5.302 1.00 0.00 O ATOM 878 CB LEU A 82 116.056 -6.443 -4.766 1.00 0.00 C ATOM 879 CG LEU A 82 117.199 -5.814 -3.965 1.00 0.00 C ATOM 880 CD1 LEU A 82 118.169 -5.109 -4.917 1.00 0.00 C ATOM 881 CD2 LEU A 82 116.626 -4.798 -2.972 1.00 0.00 C ATOM 0 H LEU A 82 115.940 -9.275 -4.440 1.00 0.00 H new ATOM 0 HA LEU A 82 115.006 -6.882 -2.894 1.00 0.00 H new ATOM 0 HB2 LEU A 82 116.458 -7.020 -5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 82 115.426 -5.663 -5.193 1.00 0.00 H new ATOM 0 HG LEU A 82 117.732 -6.594 -3.421 1.00 0.00 H new ATOM 0 HD11 LEU A 82 118.981 -4.662 -4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 82 118.578 -5.833 -5.622 1.00 0.00 H new ATOM 0 HD13 LEU A 82 117.639 -4.329 -5.464 1.00 0.00 H new ATOM 0 HD21 LEU A 82 117.439 -4.349 -2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 82 116.092 -4.019 -3.516 1.00 0.00 H new ATOM 0 HD23 LEU A 82 115.939 -5.302 -2.292 1.00 0.00 H new ATOM 893 N VAL A 83 112.872 -6.880 -4.173 1.00 0.00 N ATOM 894 CA VAL A 83 111.507 -7.075 -4.761 1.00 0.00 C ATOM 895 C VAL A 83 110.879 -5.706 -5.030 1.00 0.00 C ATOM 896 O VAL A 83 111.386 -4.693 -4.587 1.00 0.00 O ATOM 897 CB VAL A 83 110.670 -7.860 -3.726 1.00 0.00 C ATOM 898 CG1 VAL A 83 110.992 -9.352 -3.831 1.00 0.00 C ATOM 899 CG2 VAL A 83 110.958 -7.370 -2.296 1.00 0.00 C ATOM 0 H VAL A 83 112.943 -6.108 -3.510 1.00 0.00 H new ATOM 0 HA VAL A 83 111.551 -7.624 -5.702 1.00 0.00 H new ATOM 0 HB VAL A 83 109.614 -7.693 -3.941 1.00 0.00 H new ATOM 0 HG11 VAL A 83 110.401 -9.904 -3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 83 110.753 -9.706 -4.834 1.00 0.00 H new ATOM 0 HG13 VAL A 83 112.052 -9.510 -3.634 1.00 0.00 H new ATOM 0 HG21 VAL A 83 110.356 -7.939 -1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 83 112.015 -7.511 -2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 83 110.708 -6.312 -2.217 1.00 0.00 H new ATOM 909 N GLY A 84 109.789 -5.662 -5.757 1.00 0.00 N ATOM 910 CA GLY A 84 109.147 -4.346 -6.051 1.00 0.00 C ATOM 911 C GLY A 84 107.645 -4.526 -6.274 1.00 0.00 C ATOM 912 O GLY A 84 107.180 -5.594 -6.625 1.00 0.00 O ATOM 0 H GLY A 84 109.320 -6.475 -6.156 1.00 0.00 H new ATOM 0 HA2 GLY A 84 109.319 -3.657 -5.224 1.00 0.00 H new ATOM 0 HA3 GLY A 84 109.602 -3.901 -6.936 1.00 0.00 H new ATOM 916 N TRP A 85 106.887 -3.477 -6.077 1.00 0.00 N ATOM 917 CA TRP A 85 105.410 -3.556 -6.278 1.00 0.00 C ATOM 918 C TRP A 85 104.971 -2.532 -7.328 1.00 0.00 C ATOM 919 O TRP A 85 105.534 -1.459 -7.431 1.00 0.00 O ATOM 920 CB TRP A 85 104.804 -3.213 -4.916 1.00 0.00 C ATOM 921 CG TRP A 85 104.853 -4.414 -4.027 1.00 0.00 C ATOM 922 CD1 TRP A 85 104.332 -5.625 -4.331 1.00 0.00 C ATOM 923 CD2 TRP A 85 105.439 -4.541 -2.700 1.00 0.00 C ATOM 924 NE1 TRP A 85 104.561 -6.487 -3.274 1.00 0.00 N ATOM 925 CE2 TRP A 85 105.240 -5.865 -2.245 1.00 0.00 C ATOM 926 CE3 TRP A 85 106.117 -3.643 -1.856 1.00 0.00 C ATOM 927 CZ2 TRP A 85 105.698 -6.286 -0.996 1.00 0.00 C ATOM 928 CZ3 TRP A 85 106.579 -4.062 -0.598 1.00 0.00 C ATOM 929 CH2 TRP A 85 106.370 -5.381 -0.169 1.00 0.00 C ATOM 0 H TRP A 85 107.232 -2.563 -5.783 1.00 0.00 H new ATOM 0 HA TRP A 85 105.092 -4.537 -6.630 1.00 0.00 H new ATOM 0 HB2 TRP A 85 105.352 -2.388 -4.460 1.00 0.00 H new ATOM 0 HB3 TRP A 85 103.773 -2.881 -5.039 1.00 0.00 H new ATOM 0 HD1 TRP A 85 103.821 -5.877 -5.249 1.00 0.00 H new ATOM 0 HE1 TRP A 85 104.265 -7.463 -3.257 1.00 0.00 H new ATOM 0 HE3 TRP A 85 106.283 -2.625 -2.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 105.535 -7.303 -0.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 107.098 -3.365 0.043 1.00 0.00 H new ATOM 0 HH2 TRP A 85 106.728 -5.697 0.800 1.00 0.00 H new ATOM 940 N GLN A 86 103.972 -2.859 -8.106 1.00 0.00 N ATOM 941 CA GLN A 86 103.492 -1.904 -9.154 1.00 0.00 C ATOM 942 C GLN A 86 102.834 -0.688 -8.494 1.00 0.00 C ATOM 943 O GLN A 86 101.979 -0.823 -7.639 1.00 0.00 O ATOM 944 CB GLN A 86 102.470 -2.692 -9.976 1.00 0.00 C ATOM 945 CG GLN A 86 101.920 -1.813 -11.101 1.00 0.00 C ATOM 946 CD GLN A 86 100.899 -2.608 -11.919 1.00 0.00 C ATOM 947 OE1 GLN A 86 101.010 -3.811 -12.046 1.00 0.00 O ATOM 948 NE2 GLN A 86 99.902 -1.981 -12.479 1.00 0.00 N ATOM 0 H GLN A 86 103.467 -3.744 -8.063 1.00 0.00 H new ATOM 0 HA GLN A 86 104.305 -1.528 -9.775 1.00 0.00 H new ATOM 0 HB2 GLN A 86 102.936 -3.584 -10.394 1.00 0.00 H new ATOM 0 HB3 GLN A 86 101.656 -3.029 -9.334 1.00 0.00 H new ATOM 0 HG2 GLN A 86 101.452 -0.921 -10.684 1.00 0.00 H new ATOM 0 HG3 GLN A 86 102.733 -1.476 -11.744 1.00 0.00 H new ATOM 0 HE21 GLN A 86 99.810 -0.971 -12.372 1.00 0.00 H new ATOM 0 HE22 GLN A 86 99.214 -2.501 -13.024 1.00 0.00 H new ATOM 957 N ALA A 87 103.226 0.497 -8.889 1.00 0.00 N ATOM 958 CA ALA A 87 102.626 1.728 -8.293 1.00 0.00 C ATOM 959 C ALA A 87 101.827 2.495 -9.357 1.00 0.00 C ATOM 960 O ALA A 87 102.043 2.302 -10.538 1.00 0.00 O ATOM 961 CB ALA A 87 103.818 2.559 -7.815 1.00 0.00 C ATOM 0 H ALA A 87 103.938 0.665 -9.600 1.00 0.00 H new ATOM 0 HA ALA A 87 101.937 1.500 -7.480 1.00 0.00 H new ATOM 0 HB1 ALA A 87 103.459 3.484 -7.363 1.00 0.00 H new ATOM 0 HB2 ALA A 87 104.385 1.991 -7.078 1.00 0.00 H new ATOM 0 HB3 ALA A 87 104.460 2.795 -8.663 1.00 0.00 H new ATOM 967 N PRO A 88 100.925 3.344 -8.915 1.00 0.00 N ATOM 968 CA PRO A 88 100.103 4.130 -9.871 1.00 0.00 C ATOM 969 C PRO A 88 100.966 5.190 -10.573 1.00 0.00 C ATOM 970 O PRO A 88 101.972 5.612 -10.037 1.00 0.00 O ATOM 971 CB PRO A 88 99.043 4.783 -8.987 1.00 0.00 C ATOM 972 CG PRO A 88 99.659 4.841 -7.626 1.00 0.00 C ATOM 973 CD PRO A 88 100.583 3.658 -7.516 1.00 0.00 C ATOM 0 HA PRO A 88 99.668 3.521 -10.663 1.00 0.00 H new ATOM 0 HB2 PRO A 88 98.787 5.779 -9.348 1.00 0.00 H new ATOM 0 HB3 PRO A 88 98.122 4.201 -8.979 1.00 0.00 H new ATOM 0 HG2 PRO A 88 100.207 5.773 -7.489 1.00 0.00 H new ATOM 0 HG3 PRO A 88 98.892 4.805 -6.853 1.00 0.00 H new ATOM 0 HD2 PRO A 88 101.471 3.898 -6.932 1.00 0.00 H new ATOM 0 HD3 PRO A 88 100.096 2.815 -7.025 1.00 0.00 H new ATOM 981 N PRO A 89 100.552 5.592 -11.756 1.00 0.00 N ATOM 982 CA PRO A 89 101.321 6.612 -12.515 1.00 0.00 C ATOM 983 C PRO A 89 101.135 7.997 -11.890 1.00 0.00 C ATOM 984 O PRO A 89 100.194 8.235 -11.157 1.00 0.00 O ATOM 985 CB PRO A 89 100.710 6.560 -13.913 1.00 0.00 C ATOM 986 CG PRO A 89 99.325 6.032 -13.714 1.00 0.00 C ATOM 987 CD PRO A 89 99.355 5.150 -12.494 1.00 0.00 C ATOM 0 HA PRO A 89 102.394 6.422 -12.518 1.00 0.00 H new ATOM 0 HB2 PRO A 89 100.693 7.548 -14.373 1.00 0.00 H new ATOM 0 HB3 PRO A 89 101.288 5.912 -14.572 1.00 0.00 H new ATOM 0 HG2 PRO A 89 98.617 6.850 -13.580 1.00 0.00 H new ATOM 0 HG3 PRO A 89 98.999 5.468 -14.588 1.00 0.00 H new ATOM 0 HD2 PRO A 89 98.452 5.268 -11.895 1.00 0.00 H new ATOM 0 HD3 PRO A 89 99.421 4.097 -12.766 1.00 0.00 H new ATOM 995 N GLY A 90 102.030 8.909 -12.176 1.00 0.00 N ATOM 996 CA GLY A 90 101.918 10.283 -11.604 1.00 0.00 C ATOM 997 C GLY A 90 102.391 10.276 -10.149 1.00 0.00 C ATOM 998 O GLY A 90 101.942 11.064 -9.339 1.00 0.00 O ATOM 0 H GLY A 90 102.836 8.759 -12.783 1.00 0.00 H new ATOM 0 HA2 GLY A 90 102.518 10.981 -12.188 1.00 0.00 H new ATOM 0 HA3 GLY A 90 100.885 10.627 -11.659 1.00 0.00 H new ATOM 1002 N ALA A 91 103.296 9.390 -9.814 1.00 0.00 N ATOM 1003 CA ALA A 91 103.803 9.325 -8.411 1.00 0.00 C ATOM 1004 C ALA A 91 105.258 9.802 -8.351 1.00 0.00 C ATOM 1005 O ALA A 91 105.981 9.740 -9.326 1.00 0.00 O ATOM 1006 CB ALA A 91 103.707 7.848 -8.024 1.00 0.00 C ATOM 0 H ALA A 91 103.705 8.709 -10.453 1.00 0.00 H new ATOM 0 HA ALA A 91 103.232 9.962 -7.735 1.00 0.00 H new ATOM 0 HB1 ALA A 91 104.063 7.716 -7.002 1.00 0.00 H new ATOM 0 HB2 ALA A 91 102.670 7.521 -8.092 1.00 0.00 H new ATOM 0 HB3 ALA A 91 104.320 7.254 -8.701 1.00 0.00 H new ATOM 1012 N ARG A 92 105.685 10.279 -7.209 1.00 0.00 N ATOM 1013 CA ARG A 92 107.094 10.768 -7.070 1.00 0.00 C ATOM 1014 C ARG A 92 108.085 9.643 -7.395 1.00 0.00 C ATOM 1015 O ARG A 92 107.829 8.484 -7.134 1.00 0.00 O ATOM 1016 CB ARG A 92 107.229 11.210 -5.608 1.00 0.00 C ATOM 1017 CG ARG A 92 106.964 10.028 -4.669 1.00 0.00 C ATOM 1018 CD ARG A 92 106.679 10.548 -3.259 1.00 0.00 C ATOM 1019 NE ARG A 92 106.423 9.324 -2.440 1.00 0.00 N ATOM 1020 CZ ARG A 92 105.611 9.350 -1.402 1.00 0.00 C ATOM 1021 NH1 ARG A 92 105.148 10.480 -0.919 1.00 0.00 N ATOM 1022 NH2 ARG A 92 105.260 8.226 -0.838 1.00 0.00 N ATOM 0 H ARG A 92 105.118 10.352 -6.364 1.00 0.00 H new ATOM 0 HA ARG A 92 107.313 11.585 -7.757 1.00 0.00 H new ATOM 0 HB2 ARG A 92 108.229 11.606 -5.432 1.00 0.00 H new ATOM 0 HB3 ARG A 92 106.525 12.015 -5.398 1.00 0.00 H new ATOM 0 HG2 ARG A 92 106.117 9.446 -5.031 1.00 0.00 H new ATOM 0 HG3 ARG A 92 107.826 9.361 -4.654 1.00 0.00 H new ATOM 0 HD2 ARG A 92 107.525 11.114 -2.869 1.00 0.00 H new ATOM 0 HD3 ARG A 92 105.817 11.216 -3.251 1.00 0.00 H new ATOM 0 HE ARG A 92 106.886 8.450 -2.690 1.00 0.00 H new ATOM 0 HH11 ARG A 92 105.415 11.366 -1.348 1.00 0.00 H new ATOM 0 HH12 ARG A 92 104.521 10.472 -0.115 1.00 0.00 H new ATOM 0 HH21 ARG A 92 105.614 7.341 -1.201 1.00 0.00 H new ATOM 0 HH22 ARG A 92 104.632 8.233 -0.034 1.00 0.00 H new ATOM 1036 N SER A 93 109.211 9.985 -7.969 1.00 0.00 N ATOM 1037 CA SER A 93 110.225 8.946 -8.323 1.00 0.00 C ATOM 1038 C SER A 93 111.643 9.486 -8.107 1.00 0.00 C ATOM 1039 O SER A 93 111.856 10.681 -8.025 1.00 0.00 O ATOM 1040 CB SER A 93 109.984 8.651 -9.802 1.00 0.00 C ATOM 1041 OG SER A 93 110.919 7.677 -10.245 1.00 0.00 O ATOM 0 H SER A 93 109.472 10.942 -8.208 1.00 0.00 H new ATOM 0 HA SER A 93 110.132 8.053 -7.706 1.00 0.00 H new ATOM 0 HB2 SER A 93 108.967 8.290 -9.951 1.00 0.00 H new ATOM 0 HB3 SER A 93 110.087 9.564 -10.388 1.00 0.00 H new ATOM 0 HG SER A 93 110.990 7.712 -11.222 1.00 0.00 H new ATOM 1047 N LEU A 94 112.611 8.609 -8.013 1.00 0.00 N ATOM 1048 CA LEU A 94 114.021 9.056 -7.800 1.00 0.00 C ATOM 1049 C LEU A 94 114.845 8.848 -9.075 1.00 0.00 C ATOM 1050 O LEU A 94 114.643 7.897 -9.807 1.00 0.00 O ATOM 1051 CB LEU A 94 114.552 8.169 -6.668 1.00 0.00 C ATOM 1052 CG LEU A 94 114.535 8.933 -5.334 1.00 0.00 C ATOM 1053 CD1 LEU A 94 115.437 10.173 -5.426 1.00 0.00 C ATOM 1054 CD2 LEU A 94 113.100 9.359 -4.999 1.00 0.00 C ATOM 0 H LEU A 94 112.484 7.599 -8.075 1.00 0.00 H new ATOM 0 HA LEU A 94 114.083 10.116 -7.553 1.00 0.00 H new ATOM 0 HB2 LEU A 94 113.942 7.269 -6.586 1.00 0.00 H new ATOM 0 HB3 LEU A 94 115.568 7.846 -6.896 1.00 0.00 H new ATOM 0 HG LEU A 94 114.910 8.280 -4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 94 115.418 10.708 -4.476 1.00 0.00 H new ATOM 0 HD12 LEU A 94 116.458 9.864 -5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 94 115.075 10.828 -6.218 1.00 0.00 H new ATOM 0 HD21 LEU A 94 113.093 9.900 -4.053 1.00 0.00 H new ATOM 0 HD22 LEU A 94 112.718 10.005 -5.790 1.00 0.00 H new ATOM 0 HD23 LEU A 94 112.468 8.475 -4.916 1.00 0.00 H new ATOM 1066 N THR A 95 115.771 9.735 -9.343 1.00 0.00 N ATOM 1067 CA THR A 95 116.617 9.599 -10.567 1.00 0.00 C ATOM 1068 C THR A 95 117.940 8.894 -10.228 1.00 0.00 C ATOM 1069 O THR A 95 118.343 8.869 -9.082 1.00 0.00 O ATOM 1070 CB THR A 95 116.878 11.036 -11.026 1.00 0.00 C ATOM 1071 OG1 THR A 95 117.383 11.794 -9.936 1.00 0.00 O ATOM 1072 CG2 THR A 95 115.573 11.659 -11.524 1.00 0.00 C ATOM 0 H THR A 95 115.977 10.549 -8.765 1.00 0.00 H new ATOM 0 HA THR A 95 116.131 9.003 -11.340 1.00 0.00 H new ATOM 0 HB THR A 95 117.608 11.033 -11.836 1.00 0.00 H new ATOM 0 HG1 THR A 95 117.552 12.714 -10.228 1.00 0.00 H new ATOM 0 HG21 THR A 95 115.760 12.682 -11.851 1.00 0.00 H new ATOM 0 HG22 THR A 95 115.187 11.076 -12.360 1.00 0.00 H new ATOM 0 HG23 THR A 95 114.841 11.664 -10.717 1.00 0.00 H new ATOM 1080 N PRO A 96 118.583 8.339 -11.235 1.00 0.00 N ATOM 1081 CA PRO A 96 119.871 7.634 -11.007 1.00 0.00 C ATOM 1082 C PRO A 96 120.989 8.643 -10.724 1.00 0.00 C ATOM 1083 O PRO A 96 120.958 9.763 -11.197 1.00 0.00 O ATOM 1084 CB PRO A 96 120.121 6.902 -12.323 1.00 0.00 C ATOM 1085 CG PRO A 96 119.367 7.683 -13.352 1.00 0.00 C ATOM 1086 CD PRO A 96 118.187 8.309 -12.654 1.00 0.00 C ATOM 0 HA PRO A 96 119.844 6.960 -10.150 1.00 0.00 H new ATOM 0 HB2 PRO A 96 121.185 6.865 -12.558 1.00 0.00 H new ATOM 0 HB3 PRO A 96 119.769 5.872 -12.274 1.00 0.00 H new ATOM 0 HG2 PRO A 96 120.003 8.449 -13.797 1.00 0.00 H new ATOM 0 HG3 PRO A 96 119.036 7.034 -14.162 1.00 0.00 H new ATOM 0 HD2 PRO A 96 117.985 9.311 -13.033 1.00 0.00 H new ATOM 0 HD3 PRO A 96 117.280 7.724 -12.802 1.00 0.00 H new ATOM 1094 N CYS A 97 121.974 8.249 -9.956 1.00 0.00 N ATOM 1095 CA CYS A 97 123.098 9.180 -9.636 1.00 0.00 C ATOM 1096 C CYS A 97 124.184 9.097 -10.712 1.00 0.00 C ATOM 1097 O CYS A 97 124.659 8.028 -11.046 1.00 0.00 O ATOM 1098 CB CYS A 97 123.644 8.699 -8.290 1.00 0.00 C ATOM 1099 SG CYS A 97 124.918 9.849 -7.710 1.00 0.00 S ATOM 0 H CYS A 97 122.048 7.322 -9.537 1.00 0.00 H new ATOM 0 HA CYS A 97 122.769 10.219 -9.597 1.00 0.00 H new ATOM 0 HB2 CYS A 97 122.837 8.635 -7.560 1.00 0.00 H new ATOM 0 HB3 CYS A 97 124.062 7.697 -8.392 1.00 0.00 H new ATOM 0 HG CYS A 97 124.700 10.146 -6.463 1.00 0.00 H new ATOM 1104 N THR A 98 124.581 10.221 -11.250 1.00 0.00 N ATOM 1105 CA THR A 98 125.641 10.224 -12.301 1.00 0.00 C ATOM 1106 C THR A 98 126.644 11.350 -12.028 1.00 0.00 C ATOM 1107 O THR A 98 126.671 12.351 -12.722 1.00 0.00 O ATOM 1108 CB THR A 98 124.896 10.471 -13.614 1.00 0.00 C ATOM 1109 OG1 THR A 98 124.007 11.567 -13.453 1.00 0.00 O ATOM 1110 CG2 THR A 98 124.103 9.221 -13.997 1.00 0.00 C ATOM 0 H THR A 98 124.215 11.141 -11.005 1.00 0.00 H new ATOM 0 HA THR A 98 126.206 9.292 -12.326 1.00 0.00 H new ATOM 0 HB THR A 98 125.614 10.698 -14.402 1.00 0.00 H new ATOM 0 HG1 THR A 98 124.517 12.370 -13.219 1.00 0.00 H new ATOM 0 HG21 THR A 98 123.573 9.399 -14.933 1.00 0.00 H new ATOM 0 HG22 THR A 98 124.786 8.381 -14.121 1.00 0.00 H new ATOM 0 HG23 THR A 98 123.384 8.991 -13.211 1.00 0.00 H new ATOM 1118 N CYS A 99 127.459 11.199 -11.013 1.00 0.00 N ATOM 1119 CA CYS A 99 128.454 12.268 -10.685 1.00 0.00 C ATOM 1120 C CYS A 99 129.771 11.681 -10.144 1.00 0.00 C ATOM 1121 O CYS A 99 130.634 12.411 -9.695 1.00 0.00 O ATOM 1122 CB CYS A 99 127.771 13.131 -9.614 1.00 0.00 C ATOM 1123 SG CYS A 99 127.354 12.124 -8.161 1.00 0.00 S ATOM 0 H CYS A 99 127.479 10.385 -10.399 1.00 0.00 H new ATOM 0 HA CYS A 99 128.726 12.839 -11.573 1.00 0.00 H new ATOM 0 HB2 CYS A 99 128.431 13.948 -9.321 1.00 0.00 H new ATOM 0 HB3 CYS A 99 126.867 13.582 -10.023 1.00 0.00 H new ATOM 0 HG CYS A 99 126.327 11.375 -8.433 1.00 0.00 H new ATOM 1128 N GLY A 100 129.945 10.376 -10.185 1.00 0.00 N ATOM 1129 CA GLY A 100 131.214 9.760 -9.678 1.00 0.00 C ATOM 1130 C GLY A 100 131.507 10.240 -8.250 1.00 0.00 C ATOM 1131 O GLY A 100 132.631 10.566 -7.917 1.00 0.00 O ATOM 0 H GLY A 100 129.261 9.713 -10.549 1.00 0.00 H new ATOM 0 HA2 GLY A 100 131.130 8.673 -9.693 1.00 0.00 H new ATOM 0 HA3 GLY A 100 132.042 10.025 -10.335 1.00 0.00 H new ATOM 1135 N SER A 101 130.504 10.290 -7.411 1.00 0.00 N ATOM 1136 CA SER A 101 130.720 10.754 -6.006 1.00 0.00 C ATOM 1137 C SER A 101 131.319 9.629 -5.159 1.00 0.00 C ATOM 1138 O SER A 101 130.704 8.598 -4.956 1.00 0.00 O ATOM 1139 CB SER A 101 129.330 11.129 -5.493 1.00 0.00 C ATOM 1140 OG SER A 101 129.398 11.381 -4.095 1.00 0.00 O ATOM 0 H SER A 101 129.544 10.030 -7.638 1.00 0.00 H new ATOM 0 HA SER A 101 131.414 11.593 -5.953 1.00 0.00 H new ATOM 0 HB2 SER A 101 128.963 12.012 -6.016 1.00 0.00 H new ATOM 0 HB3 SER A 101 128.625 10.322 -5.695 1.00 0.00 H new ATOM 0 HG SER A 101 129.297 10.538 -3.605 1.00 0.00 H new ATOM 1146 N SER A 102 132.515 9.823 -4.664 1.00 0.00 N ATOM 1147 CA SER A 102 133.167 8.770 -3.826 1.00 0.00 C ATOM 1148 C SER A 102 132.457 8.653 -2.473 1.00 0.00 C ATOM 1149 O SER A 102 132.262 7.568 -1.957 1.00 0.00 O ATOM 1150 CB SER A 102 134.609 9.244 -3.631 1.00 0.00 C ATOM 1151 OG SER A 102 135.197 9.488 -4.902 1.00 0.00 O ATOM 0 H SER A 102 133.070 10.667 -4.804 1.00 0.00 H new ATOM 0 HA SER A 102 133.122 7.788 -4.297 1.00 0.00 H new ATOM 0 HB2 SER A 102 134.628 10.152 -3.028 1.00 0.00 H new ATOM 0 HB3 SER A 102 135.182 8.491 -3.090 1.00 0.00 H new ATOM 0 HG SER A 102 136.120 9.794 -4.782 1.00 0.00 H new ATOM 1157 N ASP A 103 132.072 9.765 -1.899 1.00 0.00 N ATOM 1158 CA ASP A 103 131.377 9.732 -0.577 1.00 0.00 C ATOM 1159 C ASP A 103 129.878 9.484 -0.768 1.00 0.00 C ATOM 1160 O ASP A 103 129.271 9.985 -1.697 1.00 0.00 O ATOM 1161 CB ASP A 103 131.619 11.114 0.032 1.00 0.00 C ATOM 1162 CG ASP A 103 133.093 11.256 0.424 1.00 0.00 C ATOM 1163 OD1 ASP A 103 133.702 10.251 0.751 1.00 0.00 O ATOM 1164 OD2 ASP A 103 133.588 12.371 0.389 1.00 0.00 O ATOM 0 H ASP A 103 132.210 10.697 -2.291 1.00 0.00 H new ATOM 0 HA ASP A 103 131.749 8.932 0.063 1.00 0.00 H new ATOM 0 HB2 ASP A 103 131.347 11.890 -0.684 1.00 0.00 H new ATOM 0 HB3 ASP A 103 130.985 11.252 0.908 1.00 0.00 H new ATOM 1169 N LEU A 104 129.278 8.717 0.107 1.00 0.00 N ATOM 1170 CA LEU A 104 127.817 8.431 -0.014 1.00 0.00 C ATOM 1171 C LEU A 104 127.120 8.634 1.334 1.00 0.00 C ATOM 1172 O LEU A 104 127.720 8.482 2.381 1.00 0.00 O ATOM 1173 CB LEU A 104 127.733 6.964 -0.439 1.00 0.00 C ATOM 1174 CG LEU A 104 128.369 6.793 -1.819 1.00 0.00 C ATOM 1175 CD1 LEU A 104 128.455 5.304 -2.160 1.00 0.00 C ATOM 1176 CD2 LEU A 104 127.511 7.507 -2.866 1.00 0.00 C ATOM 0 H LEU A 104 129.739 8.275 0.902 1.00 0.00 H new ATOM 0 HA LEU A 104 127.328 9.094 -0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 104 128.244 6.334 0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 104 126.692 6.641 -0.464 1.00 0.00 H new ATOM 0 HG LEU A 104 129.371 7.223 -1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 104 128.908 5.182 -3.144 1.00 0.00 H new ATOM 0 HD12 LEU A 104 129.064 4.794 -1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 104 127.454 4.874 -2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 104 127.963 7.386 -3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 104 126.510 7.076 -2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 104 127.448 8.568 -2.623 1.00 0.00 H new ATOM 1188 N TYR A 105 125.855 8.972 1.312 1.00 0.00 N ATOM 1189 CA TYR A 105 125.106 9.180 2.587 1.00 0.00 C ATOM 1190 C TYR A 105 124.013 8.117 2.724 1.00 0.00 C ATOM 1191 O TYR A 105 123.323 7.803 1.774 1.00 0.00 O ATOM 1192 CB TYR A 105 124.490 10.573 2.461 1.00 0.00 C ATOM 1193 CG TYR A 105 125.589 11.605 2.375 1.00 0.00 C ATOM 1194 CD1 TYR A 105 126.092 12.190 3.542 1.00 0.00 C ATOM 1195 CD2 TYR A 105 126.105 11.975 1.128 1.00 0.00 C ATOM 1196 CE1 TYR A 105 127.113 13.146 3.463 1.00 0.00 C ATOM 1197 CE2 TYR A 105 127.125 12.931 1.047 1.00 0.00 C ATOM 1198 CZ TYR A 105 127.629 13.516 2.215 1.00 0.00 C ATOM 1199 OH TYR A 105 128.634 14.458 2.136 1.00 0.00 O ATOM 0 H TYR A 105 125.308 9.113 0.463 1.00 0.00 H new ATOM 0 HA TYR A 105 125.745 9.099 3.466 1.00 0.00 H new ATOM 0 HB2 TYR A 105 123.859 10.624 1.574 1.00 0.00 H new ATOM 0 HB3 TYR A 105 123.850 10.778 3.319 1.00 0.00 H new ATOM 0 HD1 TYR A 105 125.693 11.905 4.504 1.00 0.00 H new ATOM 0 HD2 TYR A 105 125.716 11.523 0.227 1.00 0.00 H new ATOM 0 HE1 TYR A 105 127.502 13.597 4.364 1.00 0.00 H new ATOM 0 HE2 TYR A 105 127.523 13.217 0.084 1.00 0.00 H new ATOM 0 HH TYR A 105 128.878 14.598 1.197 1.00 0.00 H new ATOM 1209 N LEU A 106 123.857 7.555 3.897 1.00 0.00 N ATOM 1210 CA LEU A 106 122.815 6.502 4.097 1.00 0.00 C ATOM 1211 C LEU A 106 121.688 7.028 4.994 1.00 0.00 C ATOM 1212 O LEU A 106 121.929 7.724 5.962 1.00 0.00 O ATOM 1213 CB LEU A 106 123.552 5.343 4.775 1.00 0.00 C ATOM 1214 CG LEU A 106 122.582 4.188 5.035 1.00 0.00 C ATOM 1215 CD1 LEU A 106 122.099 3.616 3.701 1.00 0.00 C ATOM 1216 CD2 LEU A 106 123.295 3.092 5.829 1.00 0.00 C ATOM 0 H LEU A 106 124.407 7.781 4.726 1.00 0.00 H new ATOM 0 HA LEU A 106 122.350 6.197 3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 106 124.373 5.004 4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 106 123.990 5.680 5.715 1.00 0.00 H new ATOM 0 HG LEU A 106 121.728 4.554 5.605 1.00 0.00 H new ATOM 0 HD11 LEU A 106 121.408 2.793 3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 106 121.591 4.396 3.133 1.00 0.00 H new ATOM 0 HD13 LEU A 106 122.953 3.251 3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 106 122.604 2.269 6.014 1.00 0.00 H new ATOM 0 HD22 LEU A 106 124.149 2.727 5.259 1.00 0.00 H new ATOM 0 HD23 LEU A 106 123.640 3.498 6.780 1.00 0.00 H new ATOM 1228 N VAL A 107 120.462 6.695 4.676 1.00 0.00 N ATOM 1229 CA VAL A 107 119.311 7.168 5.505 1.00 0.00 C ATOM 1230 C VAL A 107 118.957 6.111 6.559 1.00 0.00 C ATOM 1231 O VAL A 107 118.799 4.945 6.250 1.00 0.00 O ATOM 1232 CB VAL A 107 118.155 7.354 4.516 1.00 0.00 C ATOM 1233 CG1 VAL A 107 116.911 7.847 5.261 1.00 0.00 C ATOM 1234 CG2 VAL A 107 118.548 8.388 3.456 1.00 0.00 C ATOM 0 H VAL A 107 120.208 6.115 3.876 1.00 0.00 H new ATOM 0 HA VAL A 107 119.536 8.091 6.040 1.00 0.00 H new ATOM 0 HB VAL A 107 117.939 6.399 4.036 1.00 0.00 H new ATOM 0 HG11 VAL A 107 116.092 7.978 4.554 1.00 0.00 H new ATOM 0 HG12 VAL A 107 116.625 7.115 6.016 1.00 0.00 H new ATOM 0 HG13 VAL A 107 117.130 8.800 5.744 1.00 0.00 H new ATOM 0 HG21 VAL A 107 117.725 8.519 2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 107 118.767 9.340 3.940 1.00 0.00 H new ATOM 0 HG23 VAL A 107 119.431 8.041 2.920 1.00 0.00 H new ATOM 1244 N THR A 108 118.837 6.512 7.801 1.00 0.00 N ATOM 1245 CA THR A 108 118.499 5.536 8.881 1.00 0.00 C ATOM 1246 C THR A 108 117.077 5.779 9.399 1.00 0.00 C ATOM 1247 O THR A 108 116.507 6.837 9.205 1.00 0.00 O ATOM 1248 CB THR A 108 119.525 5.795 9.986 1.00 0.00 C ATOM 1249 OG1 THR A 108 120.818 5.914 9.410 1.00 0.00 O ATOM 1250 CG2 THR A 108 119.512 4.632 10.980 1.00 0.00 C ATOM 0 H THR A 108 118.959 7.475 8.113 1.00 0.00 H new ATOM 0 HA THR A 108 118.531 4.506 8.527 1.00 0.00 H new ATOM 0 HB THR A 108 119.273 6.718 10.508 1.00 0.00 H new ATOM 0 HG1 THR A 108 121.003 6.856 9.213 1.00 0.00 H new ATOM 0 HG21 THR A 108 120.243 4.818 11.767 1.00 0.00 H new ATOM 0 HG22 THR A 108 118.519 4.542 11.421 1.00 0.00 H new ATOM 0 HG23 THR A 108 119.764 3.707 10.461 1.00 0.00 H new ATOM 1258 N ARG A 109 116.504 4.799 10.050 1.00 0.00 N ATOM 1259 CA ARG A 109 115.112 4.951 10.583 1.00 0.00 C ATOM 1260 C ARG A 109 115.047 6.072 11.632 1.00 0.00 C ATOM 1261 O ARG A 109 114.002 6.652 11.863 1.00 0.00 O ATOM 1262 CB ARG A 109 114.769 3.591 11.212 1.00 0.00 C ATOM 1263 CG ARG A 109 115.714 3.292 12.382 1.00 0.00 C ATOM 1264 CD ARG A 109 115.431 1.889 12.926 1.00 0.00 C ATOM 1265 NE ARG A 109 114.039 1.951 13.478 1.00 0.00 N ATOM 1266 CZ ARG A 109 113.440 0.874 13.944 1.00 0.00 C ATOM 1267 NH1 ARG A 109 113.953 -0.323 13.776 1.00 0.00 N ATOM 1268 NH2 ARG A 109 112.309 0.998 14.583 1.00 0.00 N ATOM 0 H ARG A 109 116.940 3.896 10.237 1.00 0.00 H new ATOM 0 HA ARG A 109 114.405 5.224 9.799 1.00 0.00 H new ATOM 0 HB2 ARG A 109 113.737 3.594 11.561 1.00 0.00 H new ATOM 0 HB3 ARG A 109 114.849 2.805 10.461 1.00 0.00 H new ATOM 0 HG2 ARG A 109 116.751 3.363 12.052 1.00 0.00 H new ATOM 0 HG3 ARG A 109 115.579 4.033 13.170 1.00 0.00 H new ATOM 0 HD2 ARG A 109 115.509 1.139 12.139 1.00 0.00 H new ATOM 0 HD3 ARG A 109 116.149 1.615 13.699 1.00 0.00 H new ATOM 0 HE ARG A 109 113.546 2.844 13.493 1.00 0.00 H new ATOM 0 HH11 ARG A 109 114.835 -0.434 13.275 1.00 0.00 H new ATOM 0 HH12 ARG A 109 113.470 -1.141 14.146 1.00 0.00 H new ATOM 0 HH21 ARG A 109 111.898 1.922 14.717 1.00 0.00 H new ATOM 0 HH22 ARG A 109 111.836 0.171 14.948 1.00 0.00 H new ATOM 1282 N HIS A 110 116.151 6.375 12.268 1.00 0.00 N ATOM 1283 CA HIS A 110 116.156 7.452 13.306 1.00 0.00 C ATOM 1284 C HIS A 110 116.604 8.784 12.699 1.00 0.00 C ATOM 1285 O HIS A 110 117.176 9.621 13.373 1.00 0.00 O ATOM 1286 CB HIS A 110 117.157 6.983 14.363 1.00 0.00 C ATOM 1287 CG HIS A 110 116.539 5.892 15.194 1.00 0.00 C ATOM 1288 ND1 HIS A 110 116.872 4.556 15.027 1.00 0.00 N ATOM 1289 CD2 HIS A 110 115.608 5.922 16.203 1.00 0.00 C ATOM 1290 CE1 HIS A 110 116.153 3.845 15.913 1.00 0.00 C ATOM 1291 NE2 HIS A 110 115.366 4.628 16.656 1.00 0.00 N ATOM 0 H HIS A 110 117.052 5.922 12.113 1.00 0.00 H new ATOM 0 HA HIS A 110 115.164 7.617 13.726 1.00 0.00 H new ATOM 0 HB2 HIS A 110 118.065 6.618 13.882 1.00 0.00 H new ATOM 0 HB3 HIS A 110 117.447 7.819 15.000 1.00 0.00 H new ATOM 0 HD2 HIS A 110 115.135 6.814 16.587 1.00 0.00 H new ATOM 0 HE1 HIS A 110 116.205 2.771 16.012 1.00 0.00 H new ATOM 0 HE2 HIS A 110 114.726 4.340 17.396 1.00 0.00 H new ATOM 1299 N ALA A 111 116.351 8.989 11.426 1.00 0.00 N ATOM 1300 CA ALA A 111 116.761 10.268 10.755 1.00 0.00 C ATOM 1301 C ALA A 111 118.264 10.509 10.935 1.00 0.00 C ATOM 1302 O ALA A 111 118.710 11.631 11.088 1.00 0.00 O ATOM 1303 CB ALA A 111 115.948 11.376 11.438 1.00 0.00 C ATOM 0 H ALA A 111 115.875 8.321 10.819 1.00 0.00 H new ATOM 0 HA ALA A 111 116.572 10.239 9.682 1.00 0.00 H new ATOM 0 HB1 ALA A 111 116.200 12.339 10.994 1.00 0.00 H new ATOM 0 HB2 ALA A 111 114.884 11.182 11.303 1.00 0.00 H new ATOM 0 HB3 ALA A 111 116.182 11.395 12.503 1.00 0.00 H new ATOM 1309 N ASP A 112 119.043 9.458 10.911 1.00 0.00 N ATOM 1310 CA ASP A 112 120.520 9.605 11.072 1.00 0.00 C ATOM 1311 C ASP A 112 121.218 9.318 9.743 1.00 0.00 C ATOM 1312 O ASP A 112 120.773 8.492 8.966 1.00 0.00 O ATOM 1313 CB ASP A 112 120.911 8.562 12.121 1.00 0.00 C ATOM 1314 CG ASP A 112 120.432 9.020 13.500 1.00 0.00 C ATOM 1315 OD1 ASP A 112 120.458 10.214 13.748 1.00 0.00 O ATOM 1316 OD2 ASP A 112 120.046 8.169 14.285 1.00 0.00 O ATOM 0 H ASP A 112 118.717 8.500 10.786 1.00 0.00 H new ATOM 0 HA ASP A 112 120.808 10.611 11.375 1.00 0.00 H new ATOM 0 HB2 ASP A 112 120.468 7.597 11.873 1.00 0.00 H new ATOM 0 HB3 ASP A 112 121.992 8.425 12.127 1.00 0.00 H new ATOM 1321 N VAL A 113 122.307 9.992 9.475 1.00 0.00 N ATOM 1322 CA VAL A 113 123.037 9.759 8.192 1.00 0.00 C ATOM 1323 C VAL A 113 124.550 9.726 8.433 1.00 0.00 C ATOM 1324 O VAL A 113 125.093 10.550 9.145 1.00 0.00 O ATOM 1325 CB VAL A 113 122.647 10.937 7.288 1.00 0.00 C ATOM 1326 CG1 VAL A 113 123.106 12.262 7.910 1.00 0.00 C ATOM 1327 CG2 VAL A 113 123.306 10.765 5.916 1.00 0.00 C ATOM 0 H VAL A 113 122.722 10.693 10.088 1.00 0.00 H new ATOM 0 HA VAL A 113 122.777 8.802 7.739 1.00 0.00 H new ATOM 0 HB VAL A 113 121.563 10.954 7.179 1.00 0.00 H new ATOM 0 HG11 VAL A 113 122.822 13.088 7.258 1.00 0.00 H new ATOM 0 HG12 VAL A 113 122.633 12.390 8.884 1.00 0.00 H new ATOM 0 HG13 VAL A 113 124.189 12.251 8.031 1.00 0.00 H new ATOM 0 HG21 VAL A 113 123.030 11.601 5.273 1.00 0.00 H new ATOM 0 HG22 VAL A 113 124.389 10.740 6.033 1.00 0.00 H new ATOM 0 HG23 VAL A 113 122.968 9.832 5.464 1.00 0.00 H new ATOM 1337 N ILE A 114 125.230 8.778 7.839 1.00 0.00 N ATOM 1338 CA ILE A 114 126.709 8.681 8.020 1.00 0.00 C ATOM 1339 C ILE A 114 127.398 8.646 6.645 1.00 0.00 C ATOM 1340 O ILE A 114 126.874 8.062 5.717 1.00 0.00 O ATOM 1341 CB ILE A 114 126.935 7.367 8.774 1.00 0.00 C ATOM 1342 CG1 ILE A 114 126.209 7.417 10.121 1.00 0.00 C ATOM 1343 CG2 ILE A 114 128.432 7.161 9.016 1.00 0.00 C ATOM 1344 CD1 ILE A 114 126.209 6.025 10.755 1.00 0.00 C ATOM 0 H ILE A 114 124.822 8.065 7.234 1.00 0.00 H new ATOM 0 HA ILE A 114 127.121 9.531 8.565 1.00 0.00 H new ATOM 0 HB ILE A 114 126.546 6.542 8.178 1.00 0.00 H new ATOM 0 HG12 ILE A 114 126.700 8.130 10.784 1.00 0.00 H new ATOM 0 HG13 ILE A 114 125.185 7.764 9.981 1.00 0.00 H new ATOM 0 HG21 ILE A 114 128.588 6.225 9.553 1.00 0.00 H new ATOM 0 HG22 ILE A 114 128.953 7.122 8.059 1.00 0.00 H new ATOM 0 HG23 ILE A 114 128.822 7.989 9.609 1.00 0.00 H new ATOM 0 HD11 ILE A 114 125.692 6.062 11.714 1.00 0.00 H new ATOM 0 HD12 ILE A 114 125.699 5.324 10.094 1.00 0.00 H new ATOM 0 HD13 ILE A 114 127.236 5.695 10.909 1.00 0.00 H new ATOM 1356 N PRO A 115 128.553 9.270 6.546 1.00 0.00 N ATOM 1357 CA PRO A 115 129.285 9.286 5.257 1.00 0.00 C ATOM 1358 C PRO A 115 129.976 7.940 5.017 1.00 0.00 C ATOM 1359 O PRO A 115 130.536 7.351 5.921 1.00 0.00 O ATOM 1360 CB PRO A 115 130.312 10.397 5.436 1.00 0.00 C ATOM 1361 CG PRO A 115 130.530 10.501 6.914 1.00 0.00 C ATOM 1362 CD PRO A 115 129.277 10.010 7.595 1.00 0.00 C ATOM 0 HA PRO A 115 128.633 9.451 4.399 1.00 0.00 H new ATOM 0 HB2 PRO A 115 131.241 10.161 4.917 1.00 0.00 H new ATOM 0 HB3 PRO A 115 129.948 11.339 5.025 1.00 0.00 H new ATOM 0 HG2 PRO A 115 131.390 9.904 7.217 1.00 0.00 H new ATOM 0 HG3 PRO A 115 130.742 11.532 7.198 1.00 0.00 H new ATOM 0 HD2 PRO A 115 129.512 9.368 8.444 1.00 0.00 H new ATOM 0 HD3 PRO A 115 128.682 10.839 7.978 1.00 0.00 H new ATOM 1370 N VAL A 116 129.940 7.456 3.802 1.00 0.00 N ATOM 1371 CA VAL A 116 130.592 6.150 3.488 1.00 0.00 C ATOM 1372 C VAL A 116 131.590 6.332 2.339 1.00 0.00 C ATOM 1373 O VAL A 116 131.266 6.895 1.310 1.00 0.00 O ATOM 1374 CB VAL A 116 129.447 5.219 3.073 1.00 0.00 C ATOM 1375 CG1 VAL A 116 130.002 3.835 2.725 1.00 0.00 C ATOM 1376 CG2 VAL A 116 128.450 5.085 4.227 1.00 0.00 C ATOM 0 H VAL A 116 129.485 7.912 3.011 1.00 0.00 H new ATOM 0 HA VAL A 116 131.148 5.747 4.334 1.00 0.00 H new ATOM 0 HB VAL A 116 128.946 5.639 2.201 1.00 0.00 H new ATOM 0 HG11 VAL A 116 129.183 3.178 2.431 1.00 0.00 H new ATOM 0 HG12 VAL A 116 130.710 3.924 1.901 1.00 0.00 H new ATOM 0 HG13 VAL A 116 130.508 3.417 3.595 1.00 0.00 H new ATOM 0 HG21 VAL A 116 127.637 4.423 3.930 1.00 0.00 H new ATOM 0 HG22 VAL A 116 128.956 4.670 5.099 1.00 0.00 H new ATOM 0 HG23 VAL A 116 128.046 6.067 4.475 1.00 0.00 H new ATOM 1386 N ARG A 117 132.798 5.859 2.509 1.00 0.00 N ATOM 1387 CA ARG A 117 133.822 5.999 1.430 1.00 0.00 C ATOM 1388 C ARG A 117 133.672 4.864 0.415 1.00 0.00 C ATOM 1389 O ARG A 117 133.431 3.727 0.777 1.00 0.00 O ATOM 1390 CB ARG A 117 135.169 5.907 2.146 1.00 0.00 C ATOM 1391 CG ARG A 117 136.286 6.326 1.188 1.00 0.00 C ATOM 1392 CD ARG A 117 136.279 7.848 1.028 1.00 0.00 C ATOM 1393 NE ARG A 117 137.201 8.351 2.092 1.00 0.00 N ATOM 1394 CZ ARG A 117 138.509 8.299 1.945 1.00 0.00 C ATOM 1395 NH1 ARG A 117 139.061 7.630 0.959 1.00 0.00 N ATOM 1396 NH2 ARG A 117 139.273 8.921 2.801 1.00 0.00 N ATOM 0 H ARG A 117 133.120 5.381 3.350 1.00 0.00 H new ATOM 0 HA ARG A 117 133.720 6.934 0.879 1.00 0.00 H new ATOM 0 HB2 ARG A 117 135.170 6.550 3.026 1.00 0.00 H new ATOM 0 HB3 ARG A 117 135.338 4.889 2.496 1.00 0.00 H new ATOM 0 HG2 ARG A 117 137.251 5.995 1.571 1.00 0.00 H new ATOM 0 HG3 ARG A 117 136.146 5.847 0.219 1.00 0.00 H new ATOM 0 HD2 ARG A 117 136.622 8.143 0.036 1.00 0.00 H new ATOM 0 HD3 ARG A 117 135.275 8.254 1.151 1.00 0.00 H new ATOM 0 HE ARG A 117 136.809 8.742 2.949 1.00 0.00 H new ATOM 0 HH11 ARG A 117 138.474 7.136 0.286 1.00 0.00 H new ATOM 0 HH12 ARG A 117 140.076 7.604 0.866 1.00 0.00 H new ATOM 0 HH21 ARG A 117 138.856 9.440 3.574 1.00 0.00 H new ATOM 0 HH22 ARG A 117 140.287 8.888 2.697 1.00 0.00 H new ATOM 1410 N ARG A 118 133.809 5.165 -0.852 1.00 0.00 N ATOM 1411 CA ARG A 118 133.671 4.105 -1.897 1.00 0.00 C ATOM 1412 C ARG A 118 134.942 3.250 -1.953 1.00 0.00 C ATOM 1413 O ARG A 118 136.041 3.762 -2.041 1.00 0.00 O ATOM 1414 CB ARG A 118 133.472 4.863 -3.212 1.00 0.00 C ATOM 1415 CG ARG A 118 133.293 3.867 -4.361 1.00 0.00 C ATOM 1416 CD ARG A 118 133.094 4.630 -5.674 1.00 0.00 C ATOM 1417 NE ARG A 118 134.358 5.408 -5.876 1.00 0.00 N ATOM 1418 CZ ARG A 118 134.471 6.287 -6.852 1.00 0.00 C ATOM 1419 NH1 ARG A 118 133.568 6.378 -7.801 1.00 0.00 N ATOM 1420 NH2 ARG A 118 135.505 7.083 -6.877 1.00 0.00 N ATOM 0 H ARG A 118 134.011 6.099 -1.208 1.00 0.00 H new ATOM 0 HA ARG A 118 132.842 3.428 -1.691 1.00 0.00 H new ATOM 0 HB2 ARG A 118 132.598 5.511 -3.141 1.00 0.00 H new ATOM 0 HB3 ARG A 118 134.331 5.506 -3.406 1.00 0.00 H new ATOM 0 HG2 ARG A 118 134.166 3.219 -4.434 1.00 0.00 H new ATOM 0 HG3 ARG A 118 132.434 3.224 -4.168 1.00 0.00 H new ATOM 0 HD2 ARG A 118 132.917 3.945 -6.504 1.00 0.00 H new ATOM 0 HD3 ARG A 118 132.230 5.292 -5.617 1.00 0.00 H new ATOM 0 HE ARG A 118 135.146 5.255 -5.247 1.00 0.00 H new ATOM 0 HH11 ARG A 118 132.756 5.760 -7.794 1.00 0.00 H new ATOM 0 HH12 ARG A 118 133.678 7.067 -8.545 1.00 0.00 H new ATOM 0 HH21 ARG A 118 136.214 7.021 -6.147 1.00 0.00 H new ATOM 0 HH22 ARG A 118 135.604 7.767 -7.627 1.00 0.00 H new ATOM 1434 N ARG A 119 134.791 1.950 -1.907 1.00 0.00 N ATOM 1435 CA ARG A 119 135.980 1.048 -1.961 1.00 0.00 C ATOM 1436 C ARG A 119 135.713 -0.133 -2.900 1.00 0.00 C ATOM 1437 O ARG A 119 136.297 -1.190 -2.757 1.00 0.00 O ATOM 1438 CB ARG A 119 136.175 0.557 -0.526 1.00 0.00 C ATOM 1439 CG ARG A 119 136.834 1.659 0.307 1.00 0.00 C ATOM 1440 CD ARG A 119 138.285 1.840 -0.149 1.00 0.00 C ATOM 1441 NE ARG A 119 138.936 2.671 0.913 1.00 0.00 N ATOM 1442 CZ ARG A 119 140.241 2.860 0.928 1.00 0.00 C ATOM 1443 NH1 ARG A 119 141.041 2.177 0.142 1.00 0.00 N ATOM 1444 NH2 ARG A 119 140.748 3.743 1.743 1.00 0.00 N ATOM 0 H ARG A 119 133.892 1.474 -1.834 1.00 0.00 H new ATOM 0 HA ARG A 119 136.864 1.560 -2.341 1.00 0.00 H new ATOM 0 HB2 ARG A 119 135.214 0.283 -0.091 1.00 0.00 H new ATOM 0 HB3 ARG A 119 136.795 -0.339 -0.518 1.00 0.00 H new ATOM 0 HG2 ARG A 119 136.286 2.594 0.193 1.00 0.00 H new ATOM 0 HG3 ARG A 119 136.803 1.399 1.365 1.00 0.00 H new ATOM 0 HD2 ARG A 119 138.786 0.878 -0.257 1.00 0.00 H new ATOM 0 HD3 ARG A 119 138.333 2.335 -1.119 1.00 0.00 H new ATOM 0 HE ARG A 119 138.360 3.099 1.638 1.00 0.00 H new ATOM 0 HH11 ARG A 119 140.656 1.483 -0.498 1.00 0.00 H new ATOM 0 HH12 ARG A 119 142.047 2.341 0.172 1.00 0.00 H new ATOM 0 HH21 ARG A 119 140.137 4.278 2.360 1.00 0.00 H new ATOM 0 HH22 ARG A 119 141.756 3.898 1.764 1.00 0.00 H new ATOM 1458 N GLY A 120 134.835 0.040 -3.858 1.00 0.00 N ATOM 1459 CA GLY A 120 134.529 -1.070 -4.807 1.00 0.00 C ATOM 1460 C GLY A 120 133.403 -0.643 -5.750 1.00 0.00 C ATOM 1461 O GLY A 120 132.891 0.457 -5.662 1.00 0.00 O ATOM 0 H GLY A 120 134.318 0.904 -4.022 1.00 0.00 H new ATOM 0 HA2 GLY A 120 135.419 -1.327 -5.381 1.00 0.00 H new ATOM 0 HA3 GLY A 120 134.236 -1.963 -4.255 1.00 0.00 H new ATOM 1465 N ASP A 121 133.015 -1.508 -6.653 1.00 0.00 N ATOM 1466 CA ASP A 121 131.919 -1.161 -7.610 1.00 0.00 C ATOM 1467 C ASP A 121 130.589 -1.010 -6.864 1.00 0.00 C ATOM 1468 O ASP A 121 129.803 -0.127 -7.155 1.00 0.00 O ATOM 1469 CB ASP A 121 131.860 -2.328 -8.605 1.00 0.00 C ATOM 1470 CG ASP A 121 131.580 -3.638 -7.862 1.00 0.00 C ATOM 1471 OD1 ASP A 121 130.573 -4.260 -8.157 1.00 0.00 O ATOM 1472 OD2 ASP A 121 132.380 -3.997 -7.013 1.00 0.00 O ATOM 0 H ASP A 121 133.410 -2.441 -6.769 1.00 0.00 H new ATOM 0 HA ASP A 121 132.103 -0.214 -8.117 1.00 0.00 H new ATOM 0 HB2 ASP A 121 131.080 -2.146 -9.345 1.00 0.00 H new ATOM 0 HB3 ASP A 121 132.803 -2.402 -9.147 1.00 0.00 H new ATOM 1477 N SER A 122 130.334 -1.866 -5.907 1.00 0.00 N ATOM 1478 CA SER A 122 129.058 -1.778 -5.136 1.00 0.00 C ATOM 1479 C SER A 122 129.326 -1.960 -3.638 1.00 0.00 C ATOM 1480 O SER A 122 128.461 -2.385 -2.895 1.00 0.00 O ATOM 1481 CB SER A 122 128.194 -2.922 -5.668 1.00 0.00 C ATOM 1482 OG SER A 122 127.841 -2.654 -7.019 1.00 0.00 O ATOM 0 H SER A 122 130.956 -2.624 -5.626 1.00 0.00 H new ATOM 0 HA SER A 122 128.572 -0.809 -5.254 1.00 0.00 H new ATOM 0 HB2 SER A 122 128.737 -3.865 -5.602 1.00 0.00 H new ATOM 0 HB3 SER A 122 127.296 -3.028 -5.059 1.00 0.00 H new ATOM 0 HG SER A 122 127.288 -3.386 -7.364 1.00 0.00 H new ATOM 1488 N ARG A 123 130.516 -1.642 -3.194 1.00 0.00 N ATOM 1489 CA ARG A 123 130.846 -1.795 -1.746 1.00 0.00 C ATOM 1490 C ARG A 123 131.626 -0.575 -1.247 1.00 0.00 C ATOM 1491 O ARG A 123 132.204 0.160 -2.025 1.00 0.00 O ATOM 1492 CB ARG A 123 131.708 -3.053 -1.669 1.00 0.00 C ATOM 1493 CG ARG A 123 130.847 -4.274 -1.998 1.00 0.00 C ATOM 1494 CD ARG A 123 131.636 -5.549 -1.700 1.00 0.00 C ATOM 1495 NE ARG A 123 130.715 -6.675 -2.054 1.00 0.00 N ATOM 1496 CZ ARG A 123 130.990 -7.918 -1.710 1.00 0.00 C ATOM 1497 NH1 ARG A 123 132.164 -8.250 -1.224 1.00 0.00 N ATOM 1498 NH2 ARG A 123 130.077 -8.838 -1.860 1.00 0.00 N ATOM 0 H ARG A 123 131.274 -1.282 -3.774 1.00 0.00 H new ATOM 0 HA ARG A 123 129.954 -1.874 -1.125 1.00 0.00 H new ATOM 0 HB2 ARG A 123 132.541 -2.981 -2.369 1.00 0.00 H new ATOM 0 HB3 ARG A 123 132.137 -3.154 -0.672 1.00 0.00 H new ATOM 0 HG2 ARG A 123 129.930 -4.255 -1.409 1.00 0.00 H new ATOM 0 HG3 ARG A 123 130.553 -4.253 -3.047 1.00 0.00 H new ATOM 0 HD2 ARG A 123 132.553 -5.591 -2.288 1.00 0.00 H new ATOM 0 HD3 ARG A 123 131.928 -5.595 -0.651 1.00 0.00 H new ATOM 0 HE ARG A 123 129.858 -6.477 -2.571 1.00 0.00 H new ATOM 0 HH11 ARG A 123 132.886 -7.540 -1.106 1.00 0.00 H new ATOM 0 HH12 ARG A 123 132.353 -9.218 -0.965 1.00 0.00 H new ATOM 0 HH21 ARG A 123 129.163 -8.592 -2.240 1.00 0.00 H new ATOM 0 HH22 ARG A 123 130.278 -9.803 -1.598 1.00 0.00 H new ATOM 1512 N GLY A 124 131.643 -0.357 0.043 1.00 0.00 N ATOM 1513 CA GLY A 124 132.382 0.814 0.599 1.00 0.00 C ATOM 1514 C GLY A 124 132.868 0.491 2.013 1.00 0.00 C ATOM 1515 O GLY A 124 132.737 -0.625 2.482 1.00 0.00 O ATOM 0 H GLY A 124 131.176 -0.941 0.736 1.00 0.00 H new ATOM 0 HA2 GLY A 124 133.230 1.059 -0.041 1.00 0.00 H new ATOM 0 HA3 GLY A 124 131.734 1.690 0.618 1.00 0.00 H new ATOM 1519 N SER A 125 133.427 1.460 2.693 1.00 0.00 N ATOM 1520 CA SER A 125 133.927 1.219 4.079 1.00 0.00 C ATOM 1521 C SER A 125 133.219 2.150 5.067 1.00 0.00 C ATOM 1522 O SER A 125 132.767 3.221 4.707 1.00 0.00 O ATOM 1523 CB SER A 125 135.420 1.535 4.022 1.00 0.00 C ATOM 1524 OG SER A 125 135.598 2.915 3.733 1.00 0.00 O ATOM 0 H SER A 125 133.559 2.410 2.346 1.00 0.00 H new ATOM 0 HA SER A 125 133.739 0.199 4.414 1.00 0.00 H new ATOM 0 HB2 SER A 125 135.892 1.287 4.973 1.00 0.00 H new ATOM 0 HB3 SER A 125 135.903 0.926 3.258 1.00 0.00 H new ATOM 0 HG SER A 125 136.555 3.121 3.698 1.00 0.00 H new ATOM 1530 N LEU A 126 133.119 1.746 6.308 1.00 0.00 N ATOM 1531 CA LEU A 126 132.442 2.600 7.328 1.00 0.00 C ATOM 1532 C LEU A 126 133.479 3.221 8.268 1.00 0.00 C ATOM 1533 O LEU A 126 134.257 2.524 8.893 1.00 0.00 O ATOM 1534 CB LEU A 126 131.523 1.641 8.090 1.00 0.00 C ATOM 1535 CG LEU A 126 130.749 2.408 9.164 1.00 0.00 C ATOM 1536 CD1 LEU A 126 129.802 3.409 8.498 1.00 0.00 C ATOM 1537 CD2 LEU A 126 129.936 1.422 10.005 1.00 0.00 C ATOM 0 H LEU A 126 133.479 0.858 6.659 1.00 0.00 H new ATOM 0 HA LEU A 126 131.889 3.426 6.882 1.00 0.00 H new ATOM 0 HB2 LEU A 126 130.828 1.163 7.399 1.00 0.00 H new ATOM 0 HB3 LEU A 126 132.112 0.847 8.550 1.00 0.00 H new ATOM 0 HG LEU A 126 131.451 2.944 9.804 1.00 0.00 H new ATOM 0 HD11 LEU A 126 129.251 3.954 9.264 1.00 0.00 H new ATOM 0 HD12 LEU A 126 130.379 4.111 7.897 1.00 0.00 H new ATOM 0 HD13 LEU A 126 129.100 2.875 7.858 1.00 0.00 H new ATOM 0 HD21 LEU A 126 129.384 1.966 10.771 1.00 0.00 H new ATOM 0 HD22 LEU A 126 129.236 0.888 9.363 1.00 0.00 H new ATOM 0 HD23 LEU A 126 130.609 0.709 10.481 1.00 0.00 H new ATOM 1549 N LEU A 127 133.493 4.526 8.372 1.00 0.00 N ATOM 1550 CA LEU A 127 134.480 5.201 9.273 1.00 0.00 C ATOM 1551 C LEU A 127 134.184 4.860 10.735 1.00 0.00 C ATOM 1552 O LEU A 127 135.086 4.638 11.522 1.00 0.00 O ATOM 1553 CB LEU A 127 134.297 6.700 9.026 1.00 0.00 C ATOM 1554 CG LEU A 127 134.895 7.072 7.669 1.00 0.00 C ATOM 1555 CD1 LEU A 127 133.807 7.016 6.595 1.00 0.00 C ATOM 1556 CD2 LEU A 127 135.469 8.489 7.737 1.00 0.00 C ATOM 0 H LEU A 127 132.864 5.154 7.872 1.00 0.00 H new ATOM 0 HA LEU A 127 135.502 4.880 9.071 1.00 0.00 H new ATOM 0 HB2 LEU A 127 133.238 6.956 9.051 1.00 0.00 H new ATOM 0 HB3 LEU A 127 134.782 7.271 9.818 1.00 0.00 H new ATOM 0 HG LEU A 127 135.688 6.368 7.418 1.00 0.00 H new ATOM 0 HD11 LEU A 127 134.236 7.282 5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 127 133.397 6.007 6.545 1.00 0.00 H new ATOM 0 HD13 LEU A 127 133.012 7.719 6.845 1.00 0.00 H new ATOM 0 HD21 LEU A 127 135.896 8.755 6.770 1.00 0.00 H new ATOM 0 HD22 LEU A 127 134.675 9.192 7.989 1.00 0.00 H new ATOM 0 HD23 LEU A 127 136.246 8.531 8.500 1.00 0.00 H new ATOM 1568 N SER A 128 132.929 4.818 11.104 1.00 0.00 N ATOM 1569 CA SER A 128 132.568 4.494 12.516 1.00 0.00 C ATOM 1570 C SER A 128 132.140 3.020 12.632 1.00 0.00 C ATOM 1571 O SER A 128 131.075 2.660 12.171 1.00 0.00 O ATOM 1572 CB SER A 128 131.394 5.415 12.842 1.00 0.00 C ATOM 1573 OG SER A 128 130.883 5.088 14.126 1.00 0.00 O ATOM 0 H SER A 128 132.137 4.995 10.486 1.00 0.00 H new ATOM 0 HA SER A 128 133.405 4.637 13.199 1.00 0.00 H new ATOM 0 HB2 SER A 128 131.717 6.456 12.821 1.00 0.00 H new ATOM 0 HB3 SER A 128 130.613 5.308 12.089 1.00 0.00 H new ATOM 0 HG SER A 128 130.130 5.679 14.339 1.00 0.00 H new ATOM 1579 N PRO A 129 132.974 2.203 13.246 1.00 0.00 N ATOM 1580 CA PRO A 129 132.633 0.768 13.403 1.00 0.00 C ATOM 1581 C PRO A 129 131.542 0.594 14.463 1.00 0.00 C ATOM 1582 O PRO A 129 131.747 0.882 15.627 1.00 0.00 O ATOM 1583 CB PRO A 129 133.942 0.130 13.861 1.00 0.00 C ATOM 1584 CG PRO A 129 134.708 1.238 14.508 1.00 0.00 C ATOM 1585 CD PRO A 129 134.284 2.520 13.840 1.00 0.00 C ATOM 0 HA PRO A 129 132.246 0.318 12.488 1.00 0.00 H new ATOM 0 HB2 PRO A 129 133.760 -0.685 14.561 1.00 0.00 H new ATOM 0 HB3 PRO A 129 134.492 -0.290 13.019 1.00 0.00 H new ATOM 0 HG2 PRO A 129 134.502 1.275 15.578 1.00 0.00 H new ATOM 0 HG3 PRO A 129 135.781 1.082 14.395 1.00 0.00 H new ATOM 0 HD2 PRO A 129 134.208 3.337 14.558 1.00 0.00 H new ATOM 0 HD3 PRO A 129 135.001 2.829 13.080 1.00 0.00 H new ATOM 1593 N ARG A 130 130.386 0.125 14.066 1.00 0.00 N ATOM 1594 CA ARG A 130 129.275 -0.070 15.045 1.00 0.00 C ATOM 1595 C ARG A 130 128.775 -1.522 15.005 1.00 0.00 C ATOM 1596 O ARG A 130 129.011 -2.224 14.042 1.00 0.00 O ATOM 1597 CB ARG A 130 128.174 0.893 14.595 1.00 0.00 C ATOM 1598 CG ARG A 130 128.685 2.337 14.676 1.00 0.00 C ATOM 1599 CD ARG A 130 127.590 3.246 15.251 1.00 0.00 C ATOM 1600 NE ARG A 130 128.273 4.090 16.284 1.00 0.00 N ATOM 1601 CZ ARG A 130 127.648 5.091 16.869 1.00 0.00 C ATOM 1602 NH1 ARG A 130 126.483 5.517 16.440 1.00 0.00 N ATOM 1603 NH2 ARG A 130 128.202 5.674 17.897 1.00 0.00 N ATOM 0 H ARG A 130 130.164 -0.132 13.104 1.00 0.00 H new ATOM 0 HA ARG A 130 129.591 0.125 16.070 1.00 0.00 H new ATOM 0 HB2 ARG A 130 127.870 0.661 13.574 1.00 0.00 H new ATOM 0 HB3 ARG A 130 127.293 0.773 15.225 1.00 0.00 H new ATOM 0 HG2 ARG A 130 129.575 2.383 15.304 1.00 0.00 H new ATOM 0 HG3 ARG A 130 128.976 2.685 13.685 1.00 0.00 H new ATOM 0 HD2 ARG A 130 127.143 3.864 14.472 1.00 0.00 H new ATOM 0 HD3 ARG A 130 126.785 2.659 15.693 1.00 0.00 H new ATOM 0 HE ARG A 130 129.239 3.886 16.539 1.00 0.00 H new ATOM 0 HH11 ARG A 130 126.041 5.071 15.636 1.00 0.00 H new ATOM 0 HH12 ARG A 130 126.019 6.294 16.911 1.00 0.00 H new ATOM 0 HH21 ARG A 130 129.108 5.353 18.238 1.00 0.00 H new ATOM 0 HH22 ARG A 130 127.729 6.450 18.359 1.00 0.00 H new ATOM 1617 N PRO A 131 128.095 -1.934 16.055 1.00 0.00 N ATOM 1618 CA PRO A 131 127.569 -3.323 16.115 1.00 0.00 C ATOM 1619 C PRO A 131 126.402 -3.499 15.139 1.00 0.00 C ATOM 1620 O PRO A 131 125.677 -2.566 14.851 1.00 0.00 O ATOM 1621 CB PRO A 131 127.097 -3.469 17.560 1.00 0.00 C ATOM 1622 CG PRO A 131 126.811 -2.075 18.016 1.00 0.00 C ATOM 1623 CD PRO A 131 127.752 -1.169 17.267 1.00 0.00 C ATOM 0 HA PRO A 131 128.311 -4.072 15.837 1.00 0.00 H new ATOM 0 HB2 PRO A 131 126.207 -4.095 17.623 1.00 0.00 H new ATOM 0 HB3 PRO A 131 127.861 -3.938 18.179 1.00 0.00 H new ATOM 0 HG2 PRO A 131 125.774 -1.807 17.813 1.00 0.00 H new ATOM 0 HG3 PRO A 131 126.960 -1.982 19.092 1.00 0.00 H new ATOM 0 HD2 PRO A 131 127.278 -0.219 17.019 1.00 0.00 H new ATOM 0 HD3 PRO A 131 128.639 -0.938 17.858 1.00 0.00 H new ATOM 1631 N VAL A 132 126.218 -4.693 14.631 1.00 0.00 N ATOM 1632 CA VAL A 132 125.096 -4.944 13.671 1.00 0.00 C ATOM 1633 C VAL A 132 123.752 -4.579 14.317 1.00 0.00 C ATOM 1634 O VAL A 132 122.826 -4.180 13.642 1.00 0.00 O ATOM 1635 CB VAL A 132 125.159 -6.449 13.356 1.00 0.00 C ATOM 1636 CG1 VAL A 132 124.020 -6.842 12.407 1.00 0.00 C ATOM 1637 CG2 VAL A 132 126.502 -6.775 12.691 1.00 0.00 C ATOM 0 H VAL A 132 126.797 -5.506 14.840 1.00 0.00 H new ATOM 0 HA VAL A 132 125.186 -4.341 12.768 1.00 0.00 H new ATOM 0 HB VAL A 132 125.058 -7.008 14.286 1.00 0.00 H new ATOM 0 HG11 VAL A 132 124.077 -7.909 12.193 1.00 0.00 H new ATOM 0 HG12 VAL A 132 123.062 -6.616 12.875 1.00 0.00 H new ATOM 0 HG13 VAL A 132 124.111 -6.280 11.477 1.00 0.00 H new ATOM 0 HG21 VAL A 132 126.548 -7.841 12.467 1.00 0.00 H new ATOM 0 HG22 VAL A 132 126.598 -6.206 11.766 1.00 0.00 H new ATOM 0 HG23 VAL A 132 127.316 -6.510 13.366 1.00 0.00 H new ATOM 1647 N SER A 133 123.643 -4.719 15.614 1.00 0.00 N ATOM 1648 CA SER A 133 122.354 -4.387 16.302 1.00 0.00 C ATOM 1649 C SER A 133 121.992 -2.915 16.076 1.00 0.00 C ATOM 1650 O SER A 133 120.844 -2.580 15.847 1.00 0.00 O ATOM 1651 CB SER A 133 122.608 -4.649 17.786 1.00 0.00 C ATOM 1652 OG SER A 133 121.418 -4.389 18.518 1.00 0.00 O ATOM 0 H SER A 133 124.389 -5.048 16.227 1.00 0.00 H new ATOM 0 HA SER A 133 121.525 -4.982 15.920 1.00 0.00 H new ATOM 0 HB2 SER A 133 122.923 -5.682 17.936 1.00 0.00 H new ATOM 0 HB3 SER A 133 123.417 -4.013 18.146 1.00 0.00 H new ATOM 0 HG SER A 133 121.576 -4.557 19.470 1.00 0.00 H new ATOM 1658 N TYR A 134 122.963 -2.040 16.131 1.00 0.00 N ATOM 1659 CA TYR A 134 122.682 -0.586 15.914 1.00 0.00 C ATOM 1660 C TYR A 134 122.197 -0.358 14.479 1.00 0.00 C ATOM 1661 O TYR A 134 121.235 0.349 14.241 1.00 0.00 O ATOM 1662 CB TYR A 134 124.024 0.120 16.158 1.00 0.00 C ATOM 1663 CG TYR A 134 123.886 1.602 15.895 1.00 0.00 C ATOM 1664 CD1 TYR A 134 123.519 2.472 16.927 1.00 0.00 C ATOM 1665 CD2 TYR A 134 124.128 2.100 14.611 1.00 0.00 C ATOM 1666 CE1 TYR A 134 123.392 3.844 16.672 1.00 0.00 C ATOM 1667 CE2 TYR A 134 124.002 3.469 14.354 1.00 0.00 C ATOM 1668 CZ TYR A 134 123.634 4.342 15.386 1.00 0.00 C ATOM 1669 OH TYR A 134 123.508 5.694 15.133 1.00 0.00 O ATOM 0 H TYR A 134 123.940 -2.268 16.317 1.00 0.00 H new ATOM 0 HA TYR A 134 121.903 -0.207 16.576 1.00 0.00 H new ATOM 0 HB2 TYR A 134 124.350 -0.046 17.185 1.00 0.00 H new ATOM 0 HB3 TYR A 134 124.790 -0.303 15.508 1.00 0.00 H new ATOM 0 HD1 TYR A 134 123.334 2.087 17.919 1.00 0.00 H new ATOM 0 HD2 TYR A 134 124.413 1.426 13.816 1.00 0.00 H new ATOM 0 HE1 TYR A 134 123.108 4.517 17.467 1.00 0.00 H new ATOM 0 HE2 TYR A 134 124.188 3.852 13.362 1.00 0.00 H new ATOM 0 HH TYR A 134 123.712 5.871 14.191 1.00 0.00 H new ATOM 1679 N LEU A 135 122.869 -0.945 13.526 1.00 0.00 N ATOM 1680 CA LEU A 135 122.473 -0.766 12.095 1.00 0.00 C ATOM 1681 C LEU A 135 121.273 -1.654 11.744 1.00 0.00 C ATOM 1682 O LEU A 135 120.554 -1.384 10.798 1.00 0.00 O ATOM 1683 CB LEU A 135 123.707 -1.184 11.294 1.00 0.00 C ATOM 1684 CG LEU A 135 123.451 -0.979 9.799 1.00 0.00 C ATOM 1685 CD1 LEU A 135 123.256 0.510 9.507 1.00 0.00 C ATOM 1686 CD2 LEU A 135 124.653 -1.496 9.008 1.00 0.00 C ATOM 0 H LEU A 135 123.680 -1.545 13.676 1.00 0.00 H new ATOM 0 HA LEU A 135 122.168 0.258 11.880 1.00 0.00 H new ATOM 0 HB2 LEU A 135 124.571 -0.598 11.608 1.00 0.00 H new ATOM 0 HB3 LEU A 135 123.943 -2.230 11.492 1.00 0.00 H new ATOM 0 HG LEU A 135 122.553 -1.524 9.507 1.00 0.00 H new ATOM 0 HD11 LEU A 135 123.074 0.651 8.442 1.00 0.00 H new ATOM 0 HD12 LEU A 135 122.403 0.883 10.073 1.00 0.00 H new ATOM 0 HD13 LEU A 135 124.152 1.058 9.798 1.00 0.00 H new ATOM 0 HD21 LEU A 135 124.476 -1.352 7.942 1.00 0.00 H new ATOM 0 HD22 LEU A 135 125.547 -0.947 9.305 1.00 0.00 H new ATOM 0 HD23 LEU A 135 124.794 -2.557 9.213 1.00 0.00 H new ATOM 1698 N LYS A 136 121.054 -2.710 12.488 1.00 0.00 N ATOM 1699 CA LYS A 136 119.902 -3.618 12.186 1.00 0.00 C ATOM 1700 C LYS A 136 118.581 -2.855 12.268 1.00 0.00 C ATOM 1701 O LYS A 136 118.356 -2.072 13.171 1.00 0.00 O ATOM 1702 CB LYS A 136 119.962 -4.727 13.243 1.00 0.00 C ATOM 1703 CG LYS A 136 120.450 -6.024 12.592 1.00 0.00 C ATOM 1704 CD LYS A 136 120.838 -7.031 13.677 1.00 0.00 C ATOM 1705 CE LYS A 136 121.069 -8.403 13.040 1.00 0.00 C ATOM 1706 NZ LYS A 136 121.593 -9.255 14.144 1.00 0.00 N ATOM 0 H LYS A 136 121.622 -2.983 13.290 1.00 0.00 H new ATOM 0 HA LYS A 136 119.962 -4.026 11.177 1.00 0.00 H new ATOM 0 HB2 LYS A 136 120.633 -4.438 14.052 1.00 0.00 H new ATOM 0 HB3 LYS A 136 118.977 -4.877 13.685 1.00 0.00 H new ATOM 0 HG2 LYS A 136 119.667 -6.441 11.958 1.00 0.00 H new ATOM 0 HG3 LYS A 136 121.306 -5.820 11.949 1.00 0.00 H new ATOM 0 HD2 LYS A 136 121.741 -6.700 14.190 1.00 0.00 H new ATOM 0 HD3 LYS A 136 120.050 -7.095 14.428 1.00 0.00 H new ATOM 0 HE2 LYS A 136 120.144 -8.810 12.632 1.00 0.00 H new ATOM 0 HE3 LYS A 136 121.781 -8.342 12.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 121.776 -10.214 13.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 122.477 -8.846 14.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 120.891 -9.300 14.910 1.00 0.00 H new ATOM 1720 N GLY A 137 117.712 -3.082 11.319 1.00 0.00 N ATOM 1721 CA GLY A 137 116.397 -2.377 11.310 1.00 0.00 C ATOM 1722 C GLY A 137 116.443 -1.167 10.363 1.00 0.00 C ATOM 1723 O GLY A 137 115.450 -0.488 10.178 1.00 0.00 O ATOM 0 H GLY A 137 117.858 -3.730 10.545 1.00 0.00 H new ATOM 0 HA2 GLY A 137 115.611 -3.064 10.995 1.00 0.00 H new ATOM 0 HA3 GLY A 137 116.147 -2.048 12.319 1.00 0.00 H new ATOM 1727 N SER A 138 117.577 -0.893 9.757 1.00 0.00 N ATOM 1728 CA SER A 138 117.669 0.268 8.822 1.00 0.00 C ATOM 1729 C SER A 138 117.796 -0.218 7.370 1.00 0.00 C ATOM 1730 O SER A 138 118.171 0.537 6.493 1.00 0.00 O ATOM 1731 CB SER A 138 118.930 1.018 9.246 1.00 0.00 C ATOM 1732 OG SER A 138 118.758 1.518 10.566 1.00 0.00 O ATOM 0 H SER A 138 118.440 -1.425 9.872 1.00 0.00 H new ATOM 0 HA SER A 138 116.782 0.899 8.865 1.00 0.00 H new ATOM 0 HB2 SER A 138 119.793 0.353 9.206 1.00 0.00 H new ATOM 0 HB3 SER A 138 119.128 1.839 8.557 1.00 0.00 H new ATOM 0 HG SER A 138 119.627 1.558 11.017 1.00 0.00 H new ATOM 1738 N SER A 139 117.485 -1.467 7.111 1.00 0.00 N ATOM 1739 CA SER A 139 117.588 -1.994 5.714 1.00 0.00 C ATOM 1740 C SER A 139 116.625 -1.234 4.800 1.00 0.00 C ATOM 1741 O SER A 139 115.590 -0.762 5.231 1.00 0.00 O ATOM 1742 CB SER A 139 117.190 -3.467 5.808 1.00 0.00 C ATOM 1743 OG SER A 139 117.800 -4.190 4.748 1.00 0.00 O ATOM 0 H SER A 139 117.165 -2.142 7.806 1.00 0.00 H new ATOM 0 HA SER A 139 118.589 -1.874 5.299 1.00 0.00 H new ATOM 0 HB2 SER A 139 117.500 -3.878 6.769 1.00 0.00 H new ATOM 0 HB3 SER A 139 116.106 -3.566 5.754 1.00 0.00 H new ATOM 0 HG SER A 139 117.319 -5.032 4.607 1.00 0.00 H new ATOM 1749 N GLY A 140 116.964 -1.107 3.543 1.00 0.00 N ATOM 1750 CA GLY A 140 116.078 -0.370 2.593 1.00 0.00 C ATOM 1751 C GLY A 140 116.454 1.117 2.564 1.00 0.00 C ATOM 1752 O GLY A 140 116.015 1.851 1.699 1.00 0.00 O ATOM 0 H GLY A 140 117.819 -1.483 3.133 1.00 0.00 H new ATOM 0 HA2 GLY A 140 116.170 -0.796 1.594 1.00 0.00 H new ATOM 0 HA3 GLY A 140 115.036 -0.484 2.893 1.00 0.00 H new ATOM 1756 N GLY A 141 117.266 1.573 3.496 1.00 0.00 N ATOM 1757 CA GLY A 141 117.668 3.012 3.506 1.00 0.00 C ATOM 1758 C GLY A 141 118.397 3.340 2.191 1.00 0.00 C ATOM 1759 O GLY A 141 119.473 2.827 1.953 1.00 0.00 O ATOM 0 H GLY A 141 117.664 1.008 4.246 1.00 0.00 H new ATOM 0 HA2 GLY A 141 116.789 3.647 3.617 1.00 0.00 H new ATOM 0 HA3 GLY A 141 118.318 3.215 4.357 1.00 0.00 H new ATOM 1763 N PRO A 142 117.797 4.173 1.365 1.00 0.00 N ATOM 1764 CA PRO A 142 118.434 4.526 0.072 1.00 0.00 C ATOM 1765 C PRO A 142 119.661 5.412 0.290 1.00 0.00 C ATOM 1766 O PRO A 142 119.663 6.296 1.128 1.00 0.00 O ATOM 1767 CB PRO A 142 117.343 5.288 -0.676 1.00 0.00 C ATOM 1768 CG PRO A 142 116.455 5.834 0.393 1.00 0.00 C ATOM 1769 CD PRO A 142 116.504 4.859 1.538 1.00 0.00 C ATOM 0 HA PRO A 142 118.789 3.651 -0.473 1.00 0.00 H new ATOM 0 HB2 PRO A 142 117.766 6.087 -1.285 1.00 0.00 H new ATOM 0 HB3 PRO A 142 116.793 4.631 -1.349 1.00 0.00 H new ATOM 0 HG2 PRO A 142 116.793 6.820 0.710 1.00 0.00 H new ATOM 0 HG3 PRO A 142 115.435 5.949 0.027 1.00 0.00 H new ATOM 0 HD2 PRO A 142 116.448 5.369 2.500 1.00 0.00 H new ATOM 0 HD3 PRO A 142 115.671 4.157 1.501 1.00 0.00 H new ATOM 1777 N LEU A 143 120.697 5.185 -0.474 1.00 0.00 N ATOM 1778 CA LEU A 143 121.928 6.010 -0.346 1.00 0.00 C ATOM 1779 C LEU A 143 121.794 7.247 -1.237 1.00 0.00 C ATOM 1780 O LEU A 143 121.527 7.137 -2.420 1.00 0.00 O ATOM 1781 CB LEU A 143 123.062 5.106 -0.834 1.00 0.00 C ATOM 1782 CG LEU A 143 123.362 4.045 0.226 1.00 0.00 C ATOM 1783 CD1 LEU A 143 124.045 2.844 -0.432 1.00 0.00 C ATOM 1784 CD2 LEU A 143 124.290 4.636 1.289 1.00 0.00 C ATOM 0 H LEU A 143 120.740 4.456 -1.186 1.00 0.00 H new ATOM 0 HA LEU A 143 122.107 6.357 0.671 1.00 0.00 H new ATOM 0 HB2 LEU A 143 122.782 4.628 -1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 143 123.955 5.699 -1.032 1.00 0.00 H new ATOM 0 HG LEU A 143 122.430 3.724 0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 143 124.259 2.088 0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 143 123.387 2.422 -1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 143 124.977 3.165 -0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 143 124.505 3.881 2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 143 125.221 4.956 0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 143 123.806 5.492 1.759 1.00 0.00 H new ATOM 1796 N LEU A 144 121.954 8.417 -0.672 1.00 0.00 N ATOM 1797 CA LEU A 144 121.814 9.669 -1.476 1.00 0.00 C ATOM 1798 C LEU A 144 123.171 10.359 -1.652 1.00 0.00 C ATOM 1799 O LEU A 144 124.101 10.125 -0.904 1.00 0.00 O ATOM 1800 CB LEU A 144 120.867 10.554 -0.657 1.00 0.00 C ATOM 1801 CG LEU A 144 119.410 10.332 -1.091 1.00 0.00 C ATOM 1802 CD1 LEU A 144 119.239 10.725 -2.561 1.00 0.00 C ATOM 1803 CD2 LEU A 144 119.027 8.858 -0.908 1.00 0.00 C ATOM 0 H LEU A 144 122.176 8.559 0.313 1.00 0.00 H new ATOM 0 HA LEU A 144 121.435 9.470 -2.479 1.00 0.00 H new ATOM 0 HB2 LEU A 144 120.975 10.327 0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 144 121.136 11.602 -0.788 1.00 0.00 H new ATOM 0 HG LEU A 144 118.760 10.952 -0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 144 118.204 10.565 -2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 144 119.496 11.777 -2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 144 119.896 10.113 -3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 144 117.993 8.710 -1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 144 119.681 8.234 -1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 144 119.135 8.582 0.141 1.00 0.00 H new ATOM 1815 N CYS A 145 123.278 11.213 -2.638 1.00 0.00 N ATOM 1816 CA CYS A 145 124.562 11.938 -2.881 1.00 0.00 C ATOM 1817 C CYS A 145 124.395 13.423 -2.518 1.00 0.00 C ATOM 1818 O CYS A 145 123.309 13.847 -2.174 1.00 0.00 O ATOM 1819 CB CYS A 145 124.827 11.780 -4.386 1.00 0.00 C ATOM 1820 SG CYS A 145 126.187 10.612 -4.658 1.00 0.00 S ATOM 0 H CYS A 145 122.526 11.440 -3.289 1.00 0.00 H new ATOM 0 HA CYS A 145 125.384 11.548 -2.281 1.00 0.00 H new ATOM 0 HB2 CYS A 145 123.926 11.425 -4.887 1.00 0.00 H new ATOM 0 HB3 CYS A 145 125.075 12.747 -4.823 1.00 0.00 H new ATOM 0 HG CYS A 145 126.269 10.329 -5.924 1.00 0.00 H new ATOM 1825 N PRO A 146 125.471 14.178 -2.607 1.00 0.00 N ATOM 1826 CA PRO A 146 125.398 15.625 -2.279 1.00 0.00 C ATOM 1827 C PRO A 146 124.588 16.365 -3.346 1.00 0.00 C ATOM 1828 O PRO A 146 123.860 17.294 -3.051 1.00 0.00 O ATOM 1829 CB PRO A 146 126.859 16.071 -2.285 1.00 0.00 C ATOM 1830 CG PRO A 146 127.558 15.086 -3.164 1.00 0.00 C ATOM 1831 CD PRO A 146 126.829 13.778 -3.013 1.00 0.00 C ATOM 0 HA PRO A 146 124.907 15.830 -1.328 1.00 0.00 H new ATOM 0 HB2 PRO A 146 126.961 17.086 -2.670 1.00 0.00 H new ATOM 0 HB3 PRO A 146 127.277 16.068 -1.278 1.00 0.00 H new ATOM 0 HG2 PRO A 146 127.547 15.418 -4.202 1.00 0.00 H new ATOM 0 HG3 PRO A 146 128.604 14.982 -2.874 1.00 0.00 H new ATOM 0 HD2 PRO A 146 126.818 13.216 -3.947 1.00 0.00 H new ATOM 0 HD3 PRO A 146 127.300 13.142 -2.263 1.00 0.00 H new ATOM 1839 N SER A 147 124.705 15.951 -4.582 1.00 0.00 N ATOM 1840 CA SER A 147 123.935 16.618 -5.677 1.00 0.00 C ATOM 1841 C SER A 147 122.435 16.451 -5.430 1.00 0.00 C ATOM 1842 O SER A 147 121.655 17.360 -5.643 1.00 0.00 O ATOM 1843 CB SER A 147 124.350 15.898 -6.962 1.00 0.00 C ATOM 1844 OG SER A 147 125.700 16.220 -7.265 1.00 0.00 O ATOM 0 H SER A 147 125.301 15.179 -4.881 1.00 0.00 H new ATOM 0 HA SER A 147 124.138 17.687 -5.733 1.00 0.00 H new ATOM 0 HB2 SER A 147 124.239 14.820 -6.841 1.00 0.00 H new ATOM 0 HB3 SER A 147 123.700 16.195 -7.785 1.00 0.00 H new ATOM 0 HG SER A 147 125.970 15.759 -8.087 1.00 0.00 H new ATOM 1850 N GLY A 148 122.031 15.290 -4.981 1.00 0.00 N ATOM 1851 CA GLY A 148 120.584 15.044 -4.712 1.00 0.00 C ATOM 1852 C GLY A 148 120.087 13.882 -5.577 1.00 0.00 C ATOM 1853 O GLY A 148 118.961 13.882 -6.039 1.00 0.00 O ATOM 0 H GLY A 148 122.645 14.499 -4.789 1.00 0.00 H new ATOM 0 HA2 GLY A 148 120.435 14.814 -3.657 1.00 0.00 H new ATOM 0 HA3 GLY A 148 120.006 15.943 -4.927 1.00 0.00 H new ATOM 1857 N HIS A 149 120.916 12.892 -5.794 1.00 0.00 N ATOM 1858 CA HIS A 149 120.498 11.724 -6.625 1.00 0.00 C ATOM 1859 C HIS A 149 120.723 10.421 -5.854 1.00 0.00 C ATOM 1860 O HIS A 149 121.733 10.247 -5.196 1.00 0.00 O ATOM 1861 CB HIS A 149 121.398 11.774 -7.862 1.00 0.00 C ATOM 1862 CG HIS A 149 121.112 13.024 -8.647 1.00 0.00 C ATOM 1863 ND1 HIS A 149 119.984 13.800 -8.761 1.00 0.00 N flip ATOM 1864 CD2 HIS A 149 122.065 13.623 -9.455 1.00 0.00 C flip ATOM 1865 CE1 HIS A 149 120.232 14.863 -9.624 1.00 0.00 C flip ATOM 1866 NE2 HIS A 149 121.500 14.708 -10.014 1.00 0.00 N flip ATOM 0 H HIS A 149 121.867 12.843 -5.430 1.00 0.00 H new ATOM 0 HA HIS A 149 119.441 11.762 -6.888 1.00 0.00 H new ATOM 0 HB2 HIS A 149 122.446 11.753 -7.562 1.00 0.00 H new ATOM 0 HB3 HIS A 149 121.227 10.895 -8.484 1.00 0.00 H new ATOM 0 HD1 HIS A 149 119.099 13.624 -8.285 1.00 0.00 H new ATOM 0 HD2 HIS A 149 123.078 13.281 -9.608 1.00 0.00 H new ATOM 0 HE1 HIS A 149 119.547 15.645 -9.916 1.00 0.00 H new ATOM 1874 N ALA A 150 119.791 9.506 -5.931 1.00 0.00 N ATOM 1875 CA ALA A 150 119.945 8.208 -5.205 1.00 0.00 C ATOM 1876 C ALA A 150 120.897 7.286 -5.971 1.00 0.00 C ATOM 1877 O ALA A 150 120.866 7.224 -7.185 1.00 0.00 O ATOM 1878 CB ALA A 150 118.539 7.608 -5.157 1.00 0.00 C ATOM 0 H ALA A 150 118.928 9.601 -6.466 1.00 0.00 H new ATOM 0 HA ALA A 150 120.363 8.340 -4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 150 118.570 6.650 -4.637 1.00 0.00 H new ATOM 0 HB2 ALA A 150 117.871 8.287 -4.627 1.00 0.00 H new ATOM 0 HB3 ALA A 150 118.172 7.458 -6.173 1.00 0.00 H new ATOM 1884 N VAL A 151 121.741 6.571 -5.269 1.00 0.00 N ATOM 1885 CA VAL A 151 122.697 5.652 -5.954 1.00 0.00 C ATOM 1886 C VAL A 151 122.262 4.192 -5.776 1.00 0.00 C ATOM 1887 O VAL A 151 122.570 3.347 -6.596 1.00 0.00 O ATOM 1888 CB VAL A 151 124.059 5.903 -5.295 1.00 0.00 C ATOM 1889 CG1 VAL A 151 124.471 7.360 -5.514 1.00 0.00 C ATOM 1890 CG2 VAL A 151 123.976 5.622 -3.791 1.00 0.00 C ATOM 0 H VAL A 151 121.808 6.585 -4.251 1.00 0.00 H new ATOM 0 HA VAL A 151 122.736 5.836 -7.028 1.00 0.00 H new ATOM 0 HB VAL A 151 124.798 5.239 -5.744 1.00 0.00 H new ATOM 0 HG11 VAL A 151 125.439 7.539 -5.046 1.00 0.00 H new ATOM 0 HG12 VAL A 151 124.542 7.561 -6.583 1.00 0.00 H new ATOM 0 HG13 VAL A 151 123.726 8.020 -5.070 1.00 0.00 H new ATOM 0 HG21 VAL A 151 124.948 5.803 -3.333 1.00 0.00 H new ATOM 0 HG22 VAL A 151 123.233 6.279 -3.339 1.00 0.00 H new ATOM 0 HG23 VAL A 151 123.687 4.583 -3.630 1.00 0.00 H new ATOM 1900 N GLY A 152 121.548 3.889 -4.716 1.00 0.00 N ATOM 1901 CA GLY A 152 121.100 2.476 -4.503 1.00 0.00 C ATOM 1902 C GLY A 152 120.444 2.321 -3.128 1.00 0.00 C ATOM 1903 O GLY A 152 120.080 3.288 -2.490 1.00 0.00 O ATOM 0 H GLY A 152 121.259 4.552 -3.997 1.00 0.00 H new ATOM 0 HA2 GLY A 152 120.394 2.191 -5.283 1.00 0.00 H new ATOM 0 HA3 GLY A 152 121.953 1.802 -4.583 1.00 0.00 H new ATOM 1907 N ILE A 153 120.288 1.101 -2.677 1.00 0.00 N ATOM 1908 CA ILE A 153 119.654 0.852 -1.345 1.00 0.00 C ATOM 1909 C ILE A 153 120.520 -0.117 -0.527 1.00 0.00 C ATOM 1910 O ILE A 153 121.083 -1.057 -1.057 1.00 0.00 O ATOM 1911 CB ILE A 153 118.287 0.231 -1.668 1.00 0.00 C ATOM 1912 CG1 ILE A 153 117.425 1.257 -2.406 1.00 0.00 C ATOM 1913 CG2 ILE A 153 117.576 -0.179 -0.374 1.00 0.00 C ATOM 1914 CD1 ILE A 153 116.237 0.549 -3.061 1.00 0.00 C ATOM 0 H ILE A 153 120.575 0.260 -3.178 1.00 0.00 H new ATOM 0 HA ILE A 153 119.552 1.760 -0.751 1.00 0.00 H new ATOM 0 HB ILE A 153 118.437 -0.650 -2.292 1.00 0.00 H new ATOM 0 HG12 ILE A 153 117.070 2.017 -1.710 1.00 0.00 H new ATOM 0 HG13 ILE A 153 118.019 1.770 -3.163 1.00 0.00 H new ATOM 0 HG21 ILE A 153 116.608 -0.618 -0.614 1.00 0.00 H new ATOM 0 HG22 ILE A 153 118.184 -0.910 0.159 1.00 0.00 H new ATOM 0 HG23 ILE A 153 117.430 0.699 0.255 1.00 0.00 H new ATOM 0 HD11 ILE A 153 115.623 1.280 -3.587 1.00 0.00 H new ATOM 0 HD12 ILE A 153 116.602 -0.195 -3.769 1.00 0.00 H new ATOM 0 HD13 ILE A 153 115.639 0.057 -2.294 1.00 0.00 H new ATOM 1926 N PHE A 154 120.623 0.106 0.760 1.00 0.00 N ATOM 1927 CA PHE A 154 121.447 -0.800 1.623 1.00 0.00 C ATOM 1928 C PHE A 154 120.903 -2.231 1.559 1.00 0.00 C ATOM 1929 O PHE A 154 119.719 -2.460 1.726 1.00 0.00 O ATOM 1930 CB PHE A 154 121.311 -0.237 3.041 1.00 0.00 C ATOM 1931 CG PHE A 154 122.282 -0.933 3.968 1.00 0.00 C ATOM 1932 CD1 PHE A 154 123.639 -1.022 3.630 1.00 0.00 C ATOM 1933 CD2 PHE A 154 121.823 -1.487 5.168 1.00 0.00 C ATOM 1934 CE1 PHE A 154 124.534 -1.665 4.493 1.00 0.00 C ATOM 1935 CE2 PHE A 154 122.718 -2.129 6.030 1.00 0.00 C ATOM 1936 CZ PHE A 154 124.074 -2.219 5.693 1.00 0.00 C ATOM 0 H PHE A 154 120.172 0.877 1.252 1.00 0.00 H new ATOM 0 HA PHE A 154 122.487 -0.840 1.301 1.00 0.00 H new ATOM 0 HB2 PHE A 154 121.505 0.836 3.036 1.00 0.00 H new ATOM 0 HB3 PHE A 154 120.291 -0.374 3.400 1.00 0.00 H new ATOM 0 HD1 PHE A 154 123.994 -0.595 2.704 1.00 0.00 H new ATOM 0 HD2 PHE A 154 120.777 -1.419 5.429 1.00 0.00 H new ATOM 0 HE1 PHE A 154 125.580 -1.734 4.233 1.00 0.00 H new ATOM 0 HE2 PHE A 154 122.363 -2.556 6.956 1.00 0.00 H new ATOM 0 HZ PHE A 154 124.764 -2.716 6.359 1.00 0.00 H new ATOM 1946 N ARG A 155 121.759 -3.193 1.313 1.00 0.00 N ATOM 1947 CA ARG A 155 121.295 -4.612 1.232 1.00 0.00 C ATOM 1948 C ARG A 155 121.685 -5.386 2.499 1.00 0.00 C ATOM 1949 O ARG A 155 120.845 -5.710 3.322 1.00 0.00 O ATOM 1950 CB ARG A 155 121.998 -5.190 -0.004 1.00 0.00 C ATOM 1951 CG ARG A 155 121.603 -6.661 -0.184 1.00 0.00 C ATOM 1952 CD ARG A 155 122.163 -7.188 -1.509 1.00 0.00 C ATOM 1953 NE ARG A 155 122.088 -8.680 -1.405 1.00 0.00 N ATOM 1954 CZ ARG A 155 122.550 -9.455 -2.365 1.00 0.00 C ATOM 1955 NH1 ARG A 155 122.911 -8.967 -3.528 1.00 0.00 N ATOM 1956 NH2 ARG A 155 122.648 -10.740 -2.154 1.00 0.00 N ATOM 0 H ARG A 155 122.759 -3.056 1.165 1.00 0.00 H new ATOM 0 HA ARG A 155 120.210 -4.684 1.153 1.00 0.00 H new ATOM 0 HB2 ARG A 155 121.723 -4.619 -0.891 1.00 0.00 H new ATOM 0 HB3 ARG A 155 123.079 -5.105 0.108 1.00 0.00 H new ATOM 0 HG2 ARG A 155 121.987 -7.255 0.646 1.00 0.00 H new ATOM 0 HG3 ARG A 155 120.518 -6.760 -0.172 1.00 0.00 H new ATOM 0 HD2 ARG A 155 121.581 -6.823 -2.355 1.00 0.00 H new ATOM 0 HD3 ARG A 155 123.190 -6.856 -1.662 1.00 0.00 H new ATOM 0 HE ARG A 155 121.672 -9.104 -0.576 1.00 0.00 H new ATOM 0 HH11 ARG A 155 122.837 -7.965 -3.706 1.00 0.00 H new ATOM 0 HH12 ARG A 155 123.266 -9.589 -4.254 1.00 0.00 H new ATOM 0 HH21 ARG A 155 122.368 -11.132 -1.255 1.00 0.00 H new ATOM 0 HH22 ARG A 155 123.004 -11.352 -2.888 1.00 0.00 H new ATOM 1970 N ALA A 156 122.948 -5.700 2.655 1.00 0.00 N ATOM 1971 CA ALA A 156 123.390 -6.468 3.856 1.00 0.00 C ATOM 1972 C ALA A 156 124.619 -5.820 4.495 1.00 0.00 C ATOM 1973 O ALA A 156 125.402 -5.163 3.834 1.00 0.00 O ATOM 1974 CB ALA A 156 123.743 -7.856 3.318 1.00 0.00 C ATOM 0 H ALA A 156 123.691 -5.456 2.000 1.00 0.00 H new ATOM 0 HA ALA A 156 122.620 -6.500 4.627 1.00 0.00 H new ATOM 0 HB1 ALA A 156 124.080 -8.490 4.139 1.00 0.00 H new ATOM 0 HB2 ALA A 156 122.863 -8.301 2.854 1.00 0.00 H new ATOM 0 HB3 ALA A 156 124.538 -7.768 2.578 1.00 0.00 H new ATOM 1980 N ALA A 157 124.794 -6.010 5.778 1.00 0.00 N ATOM 1981 CA ALA A 157 125.976 -5.422 6.477 1.00 0.00 C ATOM 1982 C ALA A 157 127.108 -6.453 6.537 1.00 0.00 C ATOM 1983 O ALA A 157 126.873 -7.640 6.454 1.00 0.00 O ATOM 1984 CB ALA A 157 125.480 -5.085 7.883 1.00 0.00 C ATOM 0 H ALA A 157 124.166 -6.550 6.374 1.00 0.00 H new ATOM 0 HA ALA A 157 126.368 -4.542 5.966 1.00 0.00 H new ATOM 0 HB1 ALA A 157 126.294 -4.647 8.461 1.00 0.00 H new ATOM 0 HB2 ALA A 157 124.657 -4.373 7.818 1.00 0.00 H new ATOM 0 HB3 ALA A 157 125.135 -5.994 8.375 1.00 0.00 H new ATOM 1990 N VAL A 158 128.331 -6.003 6.666 1.00 0.00 N ATOM 1991 CA VAL A 158 129.484 -6.957 6.718 1.00 0.00 C ATOM 1992 C VAL A 158 130.251 -6.791 8.035 1.00 0.00 C ATOM 1993 O VAL A 158 130.833 -5.754 8.291 1.00 0.00 O ATOM 1994 CB VAL A 158 130.371 -6.568 5.530 1.00 0.00 C ATOM 1995 CG1 VAL A 158 131.580 -7.500 5.458 1.00 0.00 C ATOM 1996 CG2 VAL A 158 129.571 -6.681 4.228 1.00 0.00 C ATOM 0 H VAL A 158 128.582 -5.017 6.738 1.00 0.00 H new ATOM 0 HA VAL A 158 129.162 -7.997 6.667 1.00 0.00 H new ATOM 0 HB VAL A 158 130.710 -5.541 5.663 1.00 0.00 H new ATOM 0 HG11 VAL A 158 132.207 -7.218 4.612 1.00 0.00 H new ATOM 0 HG12 VAL A 158 132.157 -7.419 6.379 1.00 0.00 H new ATOM 0 HG13 VAL A 158 131.240 -8.528 5.332 1.00 0.00 H new ATOM 0 HG21 VAL A 158 130.205 -6.404 3.386 1.00 0.00 H new ATOM 0 HG22 VAL A 158 129.227 -7.707 4.100 1.00 0.00 H new ATOM 0 HG23 VAL A 158 128.711 -6.013 4.270 1.00 0.00 H new ATOM 2006 N CYS A 159 130.263 -7.806 8.866 1.00 0.00 N ATOM 2007 CA CYS A 159 131.001 -7.706 10.164 1.00 0.00 C ATOM 2008 C CYS A 159 131.699 -9.032 10.495 1.00 0.00 C ATOM 2009 O CYS A 159 131.200 -10.098 10.189 1.00 0.00 O ATOM 2010 CB CYS A 159 129.930 -7.373 11.214 1.00 0.00 C ATOM 2011 SG CYS A 159 128.676 -8.682 11.275 1.00 0.00 S ATOM 0 H CYS A 159 129.795 -8.697 8.702 1.00 0.00 H new ATOM 0 HA CYS A 159 131.783 -6.947 10.130 1.00 0.00 H new ATOM 0 HB2 CYS A 159 130.395 -7.260 12.193 1.00 0.00 H new ATOM 0 HB3 CYS A 159 129.459 -6.420 10.973 1.00 0.00 H new ATOM 0 HG CYS A 159 129.204 -9.807 10.894 1.00 0.00 H new ATOM 2017 N THR A 160 132.844 -8.968 11.128 1.00 0.00 N ATOM 2018 CA THR A 160 133.575 -10.218 11.494 1.00 0.00 C ATOM 2019 C THR A 160 133.003 -10.799 12.791 1.00 0.00 C ATOM 2020 O THR A 160 132.699 -11.974 12.876 1.00 0.00 O ATOM 2021 CB THR A 160 135.029 -9.786 11.694 1.00 0.00 C ATOM 2022 OG1 THR A 160 135.434 -8.972 10.602 1.00 0.00 O ATOM 2023 CG2 THR A 160 135.924 -11.024 11.769 1.00 0.00 C ATOM 0 H THR A 160 133.304 -8.102 11.407 1.00 0.00 H new ATOM 0 HA THR A 160 133.484 -10.990 10.730 1.00 0.00 H new ATOM 0 HB THR A 160 135.116 -9.220 12.621 1.00 0.00 H new ATOM 0 HG1 THR A 160 136.365 -8.693 10.730 1.00 0.00 H new ATOM 0 HG21 THR A 160 136.960 -10.716 11.911 1.00 0.00 H new ATOM 0 HG22 THR A 160 135.612 -11.648 12.607 1.00 0.00 H new ATOM 0 HG23 THR A 160 135.838 -11.592 10.842 1.00 0.00 H new ATOM 2031 N ARG A 161 132.857 -9.978 13.800 1.00 0.00 N ATOM 2032 CA ARG A 161 132.305 -10.464 15.102 1.00 0.00 C ATOM 2033 C ARG A 161 131.170 -9.547 15.571 1.00 0.00 C ATOM 2034 O ARG A 161 131.119 -9.146 16.719 1.00 0.00 O ATOM 2035 CB ARG A 161 133.482 -10.416 16.084 1.00 0.00 C ATOM 2036 CG ARG A 161 134.033 -8.989 16.174 1.00 0.00 C ATOM 2037 CD ARG A 161 135.186 -8.954 17.181 1.00 0.00 C ATOM 2038 NE ARG A 161 135.926 -7.684 16.893 1.00 0.00 N ATOM 2039 CZ ARG A 161 137.018 -7.363 17.557 1.00 0.00 C ATOM 2040 NH1 ARG A 161 137.586 -8.202 18.394 1.00 0.00 N ATOM 2041 NH2 ARG A 161 137.550 -6.185 17.377 1.00 0.00 N ATOM 0 H ARG A 161 133.098 -8.987 13.778 1.00 0.00 H new ATOM 0 HA ARG A 161 131.888 -11.468 15.022 1.00 0.00 H new ATOM 0 HB2 ARG A 161 133.158 -10.752 17.069 1.00 0.00 H new ATOM 0 HB3 ARG A 161 134.267 -11.098 15.757 1.00 0.00 H new ATOM 0 HG2 ARG A 161 134.380 -8.658 15.195 1.00 0.00 H new ATOM 0 HG3 ARG A 161 133.245 -8.301 16.482 1.00 0.00 H new ATOM 0 HD2 ARG A 161 134.814 -8.968 18.205 1.00 0.00 H new ATOM 0 HD3 ARG A 161 135.835 -9.822 17.066 1.00 0.00 H new ATOM 0 HE ARG A 161 135.578 -7.056 16.169 1.00 0.00 H new ATOM 0 HH11 ARG A 161 137.182 -9.127 18.542 1.00 0.00 H new ATOM 0 HH12 ARG A 161 138.431 -7.928 18.896 1.00 0.00 H new ATOM 0 HH21 ARG A 161 137.121 -5.525 16.728 1.00 0.00 H new ATOM 0 HH22 ARG A 161 138.395 -5.924 17.885 1.00 0.00 H new ATOM 2055 N GLY A 162 130.266 -9.212 14.687 1.00 0.00 N ATOM 2056 CA GLY A 162 129.132 -8.318 15.066 1.00 0.00 C ATOM 2057 C GLY A 162 129.496 -6.850 14.793 1.00 0.00 C ATOM 2058 O GLY A 162 128.643 -5.982 14.834 1.00 0.00 O ATOM 0 H GLY A 162 130.265 -9.521 13.715 1.00 0.00 H new ATOM 0 HA2 GLY A 162 128.241 -8.590 14.500 1.00 0.00 H new ATOM 0 HA3 GLY A 162 128.893 -8.450 16.121 1.00 0.00 H new ATOM 2062 N VAL A 163 130.747 -6.562 14.504 1.00 0.00 N ATOM 2063 CA VAL A 163 131.148 -5.151 14.220 1.00 0.00 C ATOM 2064 C VAL A 163 131.190 -4.930 12.707 1.00 0.00 C ATOM 2065 O VAL A 163 131.886 -5.624 11.991 1.00 0.00 O ATOM 2066 CB VAL A 163 132.543 -4.999 14.834 1.00 0.00 C ATOM 2067 CG1 VAL A 163 133.062 -3.579 14.591 1.00 0.00 C ATOM 2068 CG2 VAL A 163 132.470 -5.255 16.341 1.00 0.00 C ATOM 0 H VAL A 163 131.503 -7.245 14.454 1.00 0.00 H new ATOM 0 HA VAL A 163 130.451 -4.422 14.634 1.00 0.00 H new ATOM 0 HB VAL A 163 133.218 -5.719 14.371 1.00 0.00 H new ATOM 0 HG11 VAL A 163 134.055 -3.474 15.029 1.00 0.00 H new ATOM 0 HG12 VAL A 163 133.117 -3.390 13.519 1.00 0.00 H new ATOM 0 HG13 VAL A 163 132.384 -2.860 15.052 1.00 0.00 H new ATOM 0 HG21 VAL A 163 133.463 -5.147 16.777 1.00 0.00 H new ATOM 0 HG22 VAL A 163 131.792 -4.536 16.800 1.00 0.00 H new ATOM 0 HG23 VAL A 163 132.103 -6.265 16.521 1.00 0.00 H new ATOM 2078 N ALA A 164 130.440 -3.975 12.216 1.00 0.00 N ATOM 2079 CA ALA A 164 130.421 -3.718 10.747 1.00 0.00 C ATOM 2080 C ALA A 164 131.532 -2.747 10.349 1.00 0.00 C ATOM 2081 O ALA A 164 131.540 -1.597 10.746 1.00 0.00 O ATOM 2082 CB ALA A 164 129.048 -3.103 10.472 1.00 0.00 C ATOM 0 H ALA A 164 129.841 -3.363 12.771 1.00 0.00 H new ATOM 0 HA ALA A 164 130.588 -4.630 10.173 1.00 0.00 H new ATOM 0 HB1 ALA A 164 128.954 -2.884 9.408 1.00 0.00 H new ATOM 0 HB2 ALA A 164 128.269 -3.805 10.768 1.00 0.00 H new ATOM 0 HB3 ALA A 164 128.941 -2.181 11.043 1.00 0.00 H new ATOM 2088 N LYS A 165 132.462 -3.205 9.551 1.00 0.00 N ATOM 2089 CA LYS A 165 133.576 -2.322 9.098 1.00 0.00 C ATOM 2090 C LYS A 165 133.337 -1.898 7.646 1.00 0.00 C ATOM 2091 O LYS A 165 133.746 -0.833 7.224 1.00 0.00 O ATOM 2092 CB LYS A 165 134.839 -3.179 9.209 1.00 0.00 C ATOM 2093 CG LYS A 165 135.162 -3.428 10.685 1.00 0.00 C ATOM 2094 CD LYS A 165 136.424 -4.286 10.794 1.00 0.00 C ATOM 2095 CE LYS A 165 136.746 -4.536 12.270 1.00 0.00 C ATOM 2096 NZ LYS A 165 138.221 -4.729 12.316 1.00 0.00 N ATOM 0 H LYS A 165 132.497 -4.159 9.192 1.00 0.00 H new ATOM 0 HA LYS A 165 133.657 -1.412 9.693 1.00 0.00 H new ATOM 0 HB2 LYS A 165 134.693 -4.128 8.693 1.00 0.00 H new ATOM 0 HB3 LYS A 165 135.675 -2.677 8.723 1.00 0.00 H new ATOM 0 HG2 LYS A 165 135.309 -2.479 11.201 1.00 0.00 H new ATOM 0 HG3 LYS A 165 134.325 -3.929 11.172 1.00 0.00 H new ATOM 0 HD2 LYS A 165 136.277 -5.234 10.277 1.00 0.00 H new ATOM 0 HD3 LYS A 165 137.261 -3.784 10.308 1.00 0.00 H new ATOM 0 HE2 LYS A 165 136.439 -3.693 12.889 1.00 0.00 H new ATOM 0 HE3 LYS A 165 136.221 -5.415 12.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 138.518 -4.906 13.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 138.483 -5.542 11.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 138.694 -3.874 11.960 1.00 0.00 H new ATOM 2110 N ALA A 166 132.667 -2.728 6.886 1.00 0.00 N ATOM 2111 CA ALA A 166 132.380 -2.392 5.462 1.00 0.00 C ATOM 2112 C ALA A 166 130.883 -2.562 5.187 1.00 0.00 C ATOM 2113 O ALA A 166 130.195 -3.277 5.892 1.00 0.00 O ATOM 2114 CB ALA A 166 133.193 -3.396 4.646 1.00 0.00 C ATOM 0 H ALA A 166 132.305 -3.630 7.196 1.00 0.00 H new ATOM 0 HA ALA A 166 132.642 -1.364 5.212 1.00 0.00 H new ATOM 0 HB1 ALA A 166 133.035 -3.214 3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 166 134.252 -3.283 4.880 1.00 0.00 H new ATOM 0 HB3 ALA A 166 132.873 -4.409 4.892 1.00 0.00 H new ATOM 2120 N VAL A 167 130.373 -1.906 4.176 1.00 0.00 N ATOM 2121 CA VAL A 167 128.917 -2.024 3.860 1.00 0.00 C ATOM 2122 C VAL A 167 128.704 -2.266 2.363 1.00 0.00 C ATOM 2123 O VAL A 167 129.371 -1.686 1.528 1.00 0.00 O ATOM 2124 CB VAL A 167 128.302 -0.684 4.283 1.00 0.00 C ATOM 2125 CG1 VAL A 167 128.472 -0.501 5.793 1.00 0.00 C ATOM 2126 CG2 VAL A 167 129.000 0.467 3.550 1.00 0.00 C ATOM 0 H VAL A 167 130.902 -1.293 3.555 1.00 0.00 H new ATOM 0 HA VAL A 167 128.457 -2.865 4.379 1.00 0.00 H new ATOM 0 HB VAL A 167 127.242 -0.681 4.028 1.00 0.00 H new ATOM 0 HG11 VAL A 167 128.036 0.451 6.096 1.00 0.00 H new ATOM 0 HG12 VAL A 167 127.969 -1.314 6.317 1.00 0.00 H new ATOM 0 HG13 VAL A 167 129.533 -0.510 6.043 1.00 0.00 H new ATOM 0 HG21 VAL A 167 128.557 1.415 3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 167 130.061 0.466 3.798 1.00 0.00 H new ATOM 0 HG23 VAL A 167 128.878 0.340 2.474 1.00 0.00 H new ATOM 2136 N ASP A 168 127.773 -3.122 2.024 1.00 0.00 N ATOM 2137 CA ASP A 168 127.498 -3.416 0.584 1.00 0.00 C ATOM 2138 C ASP A 168 126.053 -3.046 0.231 1.00 0.00 C ATOM 2139 O ASP A 168 125.126 -3.380 0.945 1.00 0.00 O ATOM 2140 CB ASP A 168 127.715 -4.925 0.440 1.00 0.00 C ATOM 2141 CG ASP A 168 127.647 -5.327 -1.038 1.00 0.00 C ATOM 2142 OD1 ASP A 168 127.019 -4.613 -1.804 1.00 0.00 O ATOM 2143 OD2 ASP A 168 128.225 -6.345 -1.379 1.00 0.00 O ATOM 0 H ASP A 168 127.189 -3.632 2.686 1.00 0.00 H new ATOM 0 HA ASP A 168 128.143 -2.844 -0.083 1.00 0.00 H new ATOM 0 HB2 ASP A 168 128.683 -5.203 0.856 1.00 0.00 H new ATOM 0 HB3 ASP A 168 126.957 -5.465 1.007 1.00 0.00 H new ATOM 2148 N PHE A 169 125.859 -2.362 -0.869 1.00 0.00 N ATOM 2149 CA PHE A 169 124.477 -1.967 -1.283 1.00 0.00 C ATOM 2150 C PHE A 169 124.272 -2.249 -2.778 1.00 0.00 C ATOM 2151 O PHE A 169 125.220 -2.324 -3.537 1.00 0.00 O ATOM 2152 CB PHE A 169 124.381 -0.464 -0.986 1.00 0.00 C ATOM 2153 CG PHE A 169 125.427 0.293 -1.775 1.00 0.00 C ATOM 2154 CD1 PHE A 169 125.088 0.890 -2.995 1.00 0.00 C ATOM 2155 CD2 PHE A 169 126.735 0.397 -1.285 1.00 0.00 C ATOM 2156 CE1 PHE A 169 126.056 1.589 -3.725 1.00 0.00 C ATOM 2157 CE2 PHE A 169 127.703 1.097 -2.015 1.00 0.00 C ATOM 2158 CZ PHE A 169 127.363 1.694 -3.235 1.00 0.00 C ATOM 0 H PHE A 169 126.601 -2.059 -1.500 1.00 0.00 H new ATOM 0 HA PHE A 169 123.708 -2.528 -0.751 1.00 0.00 H new ATOM 0 HB2 PHE A 169 123.387 -0.098 -1.242 1.00 0.00 H new ATOM 0 HB3 PHE A 169 124.521 -0.287 0.080 1.00 0.00 H new ATOM 0 HD1 PHE A 169 124.079 0.811 -3.373 1.00 0.00 H new ATOM 0 HD2 PHE A 169 126.997 -0.063 -0.344 1.00 0.00 H new ATOM 0 HE1 PHE A 169 125.794 2.048 -4.667 1.00 0.00 H new ATOM 0 HE2 PHE A 169 128.712 1.176 -1.637 1.00 0.00 H new ATOM 0 HZ PHE A 169 128.109 2.235 -3.798 1.00 0.00 H new ATOM 2168 N VAL A 170 123.043 -2.411 -3.200 1.00 0.00 N ATOM 2169 CA VAL A 170 122.772 -2.694 -4.644 1.00 0.00 C ATOM 2170 C VAL A 170 122.425 -1.390 -5.387 1.00 0.00 C ATOM 2171 O VAL A 170 121.632 -0.607 -4.901 1.00 0.00 O ATOM 2172 CB VAL A 170 121.574 -3.650 -4.647 1.00 0.00 C ATOM 2173 CG1 VAL A 170 121.213 -4.020 -6.089 1.00 0.00 C ATOM 2174 CG2 VAL A 170 121.932 -4.924 -3.877 1.00 0.00 C ATOM 0 H VAL A 170 122.215 -2.360 -2.607 1.00 0.00 H new ATOM 0 HA VAL A 170 123.637 -3.126 -5.148 1.00 0.00 H new ATOM 0 HB VAL A 170 120.724 -3.160 -4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 170 120.361 -4.700 -6.088 1.00 0.00 H new ATOM 0 HG12 VAL A 170 120.956 -3.117 -6.643 1.00 0.00 H new ATOM 0 HG13 VAL A 170 122.065 -4.507 -6.564 1.00 0.00 H new ATOM 0 HG21 VAL A 170 121.079 -5.603 -3.880 1.00 0.00 H new ATOM 0 HG22 VAL A 170 122.784 -5.410 -4.353 1.00 0.00 H new ATOM 0 HG23 VAL A 170 122.188 -4.668 -2.849 1.00 0.00 H new ATOM 2184 N PRO A 171 123.024 -1.188 -6.546 1.00 0.00 N ATOM 2185 CA PRO A 171 122.744 0.044 -7.326 1.00 0.00 C ATOM 2186 C PRO A 171 121.368 -0.046 -7.994 1.00 0.00 C ATOM 2187 O PRO A 171 120.823 -1.120 -8.171 1.00 0.00 O ATOM 2188 CB PRO A 171 123.852 0.069 -8.374 1.00 0.00 C ATOM 2189 CG PRO A 171 124.273 -1.356 -8.536 1.00 0.00 C ATOM 2190 CD PRO A 171 123.997 -2.057 -7.230 1.00 0.00 C ATOM 0 HA PRO A 171 122.727 0.943 -6.710 1.00 0.00 H new ATOM 0 HB2 PRO A 171 123.493 0.483 -9.316 1.00 0.00 H new ATOM 0 HB3 PRO A 171 124.686 0.691 -8.050 1.00 0.00 H new ATOM 0 HG2 PRO A 171 123.723 -1.829 -9.350 1.00 0.00 H new ATOM 0 HG3 PRO A 171 125.331 -1.417 -8.789 1.00 0.00 H new ATOM 0 HD2 PRO A 171 123.592 -3.056 -7.393 1.00 0.00 H new ATOM 0 HD3 PRO A 171 124.907 -2.174 -6.642 1.00 0.00 H new ATOM 2198 N VAL A 172 120.810 1.076 -8.368 1.00 0.00 N ATOM 2199 CA VAL A 172 119.468 1.074 -9.033 1.00 0.00 C ATOM 2200 C VAL A 172 119.587 0.539 -10.466 1.00 0.00 C ATOM 2201 O VAL A 172 118.639 0.016 -11.021 1.00 0.00 O ATOM 2202 CB VAL A 172 119.015 2.539 -9.036 1.00 0.00 C ATOM 2203 CG1 VAL A 172 117.637 2.653 -9.693 1.00 0.00 C ATOM 2204 CG2 VAL A 172 118.929 3.051 -7.595 1.00 0.00 C ATOM 0 H VAL A 172 121.226 1.999 -8.242 1.00 0.00 H new ATOM 0 HA VAL A 172 118.754 0.434 -8.515 1.00 0.00 H new ATOM 0 HB VAL A 172 119.736 3.135 -9.596 1.00 0.00 H new ATOM 0 HG11 VAL A 172 117.319 3.696 -9.693 1.00 0.00 H new ATOM 0 HG12 VAL A 172 117.692 2.291 -10.719 1.00 0.00 H new ATOM 0 HG13 VAL A 172 116.917 2.054 -9.135 1.00 0.00 H new ATOM 0 HG21 VAL A 172 118.607 4.092 -7.597 1.00 0.00 H new ATOM 0 HG22 VAL A 172 118.210 2.450 -7.038 1.00 0.00 H new ATOM 0 HG23 VAL A 172 119.909 2.975 -7.123 1.00 0.00 H new ATOM 2214 N GLU A 173 120.742 0.674 -11.068 1.00 0.00 N ATOM 2215 CA GLU A 173 120.929 0.182 -12.471 1.00 0.00 C ATOM 2216 C GLU A 173 120.663 -1.321 -12.550 1.00 0.00 C ATOM 2217 O GLU A 173 120.123 -1.812 -13.525 1.00 0.00 O ATOM 2218 CB GLU A 173 122.391 0.476 -12.811 1.00 0.00 C ATOM 2219 CG GLU A 173 122.664 0.111 -14.274 1.00 0.00 C ATOM 2220 CD GLU A 173 121.830 1.003 -15.202 1.00 0.00 C ATOM 2221 OE1 GLU A 173 121.507 2.111 -14.802 1.00 0.00 O ATOM 2222 OE2 GLU A 173 121.530 0.561 -16.299 1.00 0.00 O ATOM 0 H GLU A 173 121.566 1.104 -10.649 1.00 0.00 H new ATOM 0 HA GLU A 173 120.241 0.666 -13.164 1.00 0.00 H new ATOM 0 HB2 GLU A 173 122.609 1.531 -12.642 1.00 0.00 H new ATOM 0 HB3 GLU A 173 123.049 -0.094 -12.155 1.00 0.00 H new ATOM 0 HG2 GLU A 173 123.724 0.232 -14.496 1.00 0.00 H new ATOM 0 HG3 GLU A 173 122.420 -0.937 -14.448 1.00 0.00 H new ATOM 2229 N SER A 174 121.045 -2.054 -11.537 1.00 0.00 N ATOM 2230 CA SER A 174 120.823 -3.532 -11.553 1.00 0.00 C ATOM 2231 C SER A 174 119.325 -3.840 -11.642 1.00 0.00 C ATOM 2232 O SER A 174 118.912 -4.761 -12.321 1.00 0.00 O ATOM 2233 CB SER A 174 121.398 -4.045 -10.232 1.00 0.00 C ATOM 2234 OG SER A 174 121.374 -5.466 -10.230 1.00 0.00 O ATOM 0 H SER A 174 121.501 -1.694 -10.699 1.00 0.00 H new ATOM 0 HA SER A 174 121.299 -4.007 -12.411 1.00 0.00 H new ATOM 0 HB2 SER A 174 122.419 -3.687 -10.103 1.00 0.00 H new ATOM 0 HB3 SER A 174 120.817 -3.659 -9.395 1.00 0.00 H new ATOM 0 HG SER A 174 121.743 -5.798 -9.385 1.00 0.00 H new ATOM 2240 N MET A 175 118.511 -3.072 -10.961 1.00 0.00 N ATOM 2241 CA MET A 175 117.033 -3.312 -11.000 1.00 0.00 C ATOM 2242 C MET A 175 116.511 -3.189 -12.435 1.00 0.00 C ATOM 2243 O MET A 175 115.588 -3.878 -12.827 1.00 0.00 O ATOM 2244 CB MET A 175 116.420 -2.220 -10.121 1.00 0.00 C ATOM 2245 CG MET A 175 116.766 -2.486 -8.655 1.00 0.00 C ATOM 2246 SD MET A 175 116.036 -1.189 -7.622 1.00 0.00 S ATOM 2247 CE MET A 175 116.584 -1.839 -6.026 1.00 0.00 C ATOM 0 H MET A 175 118.805 -2.288 -10.379 1.00 0.00 H new ATOM 0 HA MET A 175 116.776 -4.311 -10.648 1.00 0.00 H new ATOM 0 HB2 MET A 175 116.797 -1.243 -10.422 1.00 0.00 H new ATOM 0 HB3 MET A 175 115.338 -2.199 -10.252 1.00 0.00 H new ATOM 0 HG2 MET A 175 116.389 -3.463 -8.352 1.00 0.00 H new ATOM 0 HG3 MET A 175 117.848 -2.506 -8.523 1.00 0.00 H new ATOM 0 HE1 MET A 175 115.904 -1.502 -5.243 1.00 0.00 H new ATOM 0 HE2 MET A 175 116.588 -2.928 -6.059 1.00 0.00 H new ATOM 0 HE3 MET A 175 117.590 -1.479 -5.813 1.00 0.00 H new ATOM 2257 N GLU A 176 117.089 -2.310 -13.215 1.00 0.00 N ATOM 2258 CA GLU A 176 116.620 -2.129 -14.625 1.00 0.00 C ATOM 2259 C GLU A 176 116.761 -3.439 -15.409 1.00 0.00 C ATOM 2260 O GLU A 176 115.898 -3.797 -16.188 1.00 0.00 O ATOM 2261 CB GLU A 176 117.531 -1.051 -15.219 1.00 0.00 C ATOM 2262 CG GLU A 176 117.043 -0.687 -16.624 1.00 0.00 C ATOM 2263 CD GLU A 176 117.869 0.481 -17.176 1.00 0.00 C ATOM 2264 OE1 GLU A 176 119.003 0.640 -16.750 1.00 0.00 O ATOM 2265 OE2 GLU A 176 117.351 1.198 -18.015 1.00 0.00 O ATOM 0 H GLU A 176 117.865 -1.710 -12.937 1.00 0.00 H new ATOM 0 HA GLU A 176 115.569 -1.844 -14.670 1.00 0.00 H new ATOM 0 HB2 GLU A 176 117.529 -0.167 -14.582 1.00 0.00 H new ATOM 0 HB3 GLU A 176 118.559 -1.411 -15.262 1.00 0.00 H new ATOM 0 HG2 GLU A 176 117.131 -1.550 -17.284 1.00 0.00 H new ATOM 0 HG3 GLU A 176 115.988 -0.415 -16.593 1.00 0.00 H new ATOM 2272 N THR A 177 117.838 -4.155 -15.204 1.00 0.00 N ATOM 2273 CA THR A 177 118.031 -5.447 -15.935 1.00 0.00 C ATOM 2274 C THR A 177 116.970 -6.458 -15.485 1.00 0.00 C ATOM 2275 O THR A 177 116.432 -7.203 -16.283 1.00 0.00 O ATOM 2276 CB THR A 177 119.435 -5.926 -15.549 1.00 0.00 C ATOM 2277 OG1 THR A 177 120.390 -4.953 -15.949 1.00 0.00 O ATOM 2278 CG2 THR A 177 119.741 -7.254 -16.246 1.00 0.00 C ATOM 0 H THR A 177 118.591 -3.902 -14.564 1.00 0.00 H new ATOM 0 HA THR A 177 117.932 -5.333 -17.015 1.00 0.00 H new ATOM 0 HB THR A 177 119.483 -6.068 -14.469 1.00 0.00 H new ATOM 0 HG1 THR A 177 121.289 -5.256 -15.702 1.00 0.00 H new ATOM 0 HG21 THR A 177 120.740 -7.589 -15.968 1.00 0.00 H new ATOM 0 HG22 THR A 177 119.009 -8.002 -15.941 1.00 0.00 H new ATOM 0 HG23 THR A 177 119.692 -7.118 -17.326 1.00 0.00 H new ATOM 2286 N THR A 178 116.672 -6.485 -14.212 1.00 0.00 N ATOM 2287 CA THR A 178 115.646 -7.443 -13.694 1.00 0.00 C ATOM 2288 C THR A 178 114.279 -7.136 -14.315 1.00 0.00 C ATOM 2289 O THR A 178 113.530 -8.030 -14.659 1.00 0.00 O ATOM 2290 CB THR A 178 115.615 -7.219 -12.177 1.00 0.00 C ATOM 2291 OG1 THR A 178 116.902 -7.485 -11.638 1.00 0.00 O ATOM 2292 CG2 THR A 178 114.593 -8.159 -11.535 1.00 0.00 C ATOM 0 H THR A 178 117.096 -5.884 -13.505 1.00 0.00 H new ATOM 0 HA THR A 178 115.883 -8.477 -13.943 1.00 0.00 H new ATOM 0 HB THR A 178 115.334 -6.186 -11.970 1.00 0.00 H new ATOM 0 HG1 THR A 178 116.821 -7.688 -10.683 1.00 0.00 H new ATOM 0 HG21 THR A 178 114.575 -7.996 -10.457 1.00 0.00 H new ATOM 0 HG22 THR A 178 113.605 -7.959 -11.949 1.00 0.00 H new ATOM 0 HG23 THR A 178 114.870 -9.193 -11.741 1.00 0.00 H new ATOM 2300 N MET A 179 113.951 -5.875 -14.455 1.00 0.00 N ATOM 2301 CA MET A 179 112.628 -5.500 -15.047 1.00 0.00 C ATOM 2302 C MET A 179 112.503 -6.053 -16.471 1.00 0.00 C ATOM 2303 O MET A 179 111.454 -6.524 -16.869 1.00 0.00 O ATOM 2304 CB MET A 179 112.619 -3.969 -15.068 1.00 0.00 C ATOM 2305 CG MET A 179 112.514 -3.439 -13.637 1.00 0.00 C ATOM 2306 SD MET A 179 112.503 -1.628 -13.663 1.00 0.00 S ATOM 2307 CE MET A 179 111.005 -1.424 -14.656 1.00 0.00 C ATOM 0 H MET A 179 114.542 -5.089 -14.185 1.00 0.00 H new ATOM 0 HA MET A 179 111.795 -5.907 -14.474 1.00 0.00 H new ATOM 0 HB2 MET A 179 113.528 -3.596 -15.539 1.00 0.00 H new ATOM 0 HB3 MET A 179 111.780 -3.608 -15.663 1.00 0.00 H new ATOM 0 HG2 MET A 179 111.605 -3.812 -13.165 1.00 0.00 H new ATOM 0 HG3 MET A 179 113.353 -3.800 -13.042 1.00 0.00 H new ATOM 0 HE1 MET A 179 110.527 -0.477 -14.403 1.00 0.00 H new ATOM 0 HE2 MET A 179 111.267 -1.428 -15.714 1.00 0.00 H new ATOM 0 HE3 MET A 179 110.317 -2.244 -14.450 1.00 0.00 H new ATOM 2317 N ARG A 180 113.564 -5.999 -17.235 1.00 0.00 N ATOM 2318 CA ARG A 180 113.509 -6.522 -18.636 1.00 0.00 C ATOM 2319 C ARG A 180 113.329 -8.045 -18.623 1.00 0.00 C ATOM 2320 O ARG A 180 112.594 -8.597 -19.420 1.00 0.00 O ATOM 2321 CB ARG A 180 114.854 -6.139 -19.263 1.00 0.00 C ATOM 2322 CG ARG A 180 114.901 -6.617 -20.716 1.00 0.00 C ATOM 2323 CD ARG A 180 116.236 -6.212 -21.343 1.00 0.00 C ATOM 2324 NE ARG A 180 116.181 -6.737 -22.736 1.00 0.00 N ATOM 2325 CZ ARG A 180 117.263 -7.195 -23.303 1.00 0.00 C ATOM 2326 NH1 ARG A 180 117.416 -8.480 -23.472 1.00 0.00 N ATOM 2327 NH2 ARG A 180 118.192 -6.369 -23.699 1.00 0.00 N ATOM 0 H ARG A 180 114.466 -5.616 -16.951 1.00 0.00 H new ATOM 0 HA ARG A 180 112.672 -6.109 -19.199 1.00 0.00 H new ATOM 0 HB2 ARG A 180 114.991 -5.058 -19.221 1.00 0.00 H new ATOM 0 HB3 ARG A 180 115.671 -6.586 -18.696 1.00 0.00 H new ATOM 0 HG2 ARG A 180 114.781 -7.700 -20.758 1.00 0.00 H new ATOM 0 HG3 ARG A 180 114.076 -6.183 -21.280 1.00 0.00 H new ATOM 0 HD2 ARG A 180 116.365 -5.130 -21.334 1.00 0.00 H new ATOM 0 HD3 ARG A 180 117.076 -6.637 -20.793 1.00 0.00 H new ATOM 0 HE ARG A 180 115.298 -6.738 -23.246 1.00 0.00 H new ATOM 0 HH11 ARG A 180 116.690 -9.125 -23.161 1.00 0.00 H new ATOM 0 HH12 ARG A 180 118.262 -8.839 -23.915 1.00 0.00 H new ATOM 0 HH21 ARG A 180 118.072 -5.365 -23.565 1.00 0.00 H new ATOM 0 HH22 ARG A 180 119.038 -6.727 -24.142 1.00 0.00 H new ATOM 2341 N ALA A 181 113.997 -8.722 -17.723 1.00 0.00 N ATOM 2342 CA ALA A 181 113.871 -10.210 -17.653 1.00 0.00 C ATOM 2343 C ALA A 181 112.563 -10.599 -16.959 1.00 0.00 C ATOM 2344 O ALA A 181 111.979 -11.626 -17.244 1.00 0.00 O ATOM 2345 CB ALA A 181 115.073 -10.676 -16.829 1.00 0.00 C ATOM 0 H ALA A 181 114.624 -8.308 -17.033 1.00 0.00 H new ATOM 0 HA ALA A 181 113.855 -10.667 -18.642 1.00 0.00 H new ATOM 0 HB1 ALA A 181 115.050 -11.762 -16.733 1.00 0.00 H new ATOM 0 HB2 ALA A 181 115.994 -10.375 -17.327 1.00 0.00 H new ATOM 0 HB3 ALA A 181 115.032 -10.224 -15.838 1.00 0.00 H new