USER MOD reduce.3.24.130724 H: found=0, std=0, add=1020, rem=0, adj=39 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 95 THR OG1 : rot 180:sc= 0.578 USER MOD Set 1.2: A 97 CYS SG : rot -161:sc= 1.49 USER MOD Set 1.3: A 99 CYS SG : rot -88:sc= 1.08 USER MOD Set 1.4: A 145 CYS SG : rot -129:sc= -1.13 USER MOD Set 1.5: A 147 SER OG : rot -140:sc= 1.14 USER MOD Set 1.6: A 149 HIS : no HE2:sc= -0.0951 K(o=3.1,f=-2.5!) USER MOD Set 2.1: A 57 HIS : no HE2:sc= -6.03! C(o=-6!,f=-9.3!) USER MOD Set 2.2: A 139 SER OG : rot 130:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 84:sc= 0.935 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 97:sc= 0.0883 USER MOD Single : A 47 CYS SG : rot 31:sc= 0.587 USER MOD Single : A 49 ASN : amide:sc= -0.0186 K(o=-0.019,f=-1.4!) USER MOD Single : A 52 CYS SG : rot 180:sc= -1.14 USER MOD Single : A 54 THR OG1 : rot 180:sc= -2.81! USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 32:sc= 0.295 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.0533 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -1.75 K(o=-1.8,f=-12!) USER MOD Single : A 80 GLN : amide:sc= -0.0924 K(o=-0.092,f=-2!) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -130:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 114:sc= 1.19 USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 122 SER OG : rot 170:sc= -0.122 USER MOD Single : A 125 SER OG : rot -122:sc= -1.03 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 -164:sc= -0.0399 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 SER OG : rot -80:sc= 1.22 USER MOD Single : A 159 CYS SG : rot 26:sc= -1.26 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 -52:sc= 0.145 USER MOD Single : A 175 MET CE :methyl -175:sc= -2.82! (180deg=-3.14!) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot 180:sc= -0.0339 USER MOD Single : A 179 MET CE :methyl -122:sc= -0.0502 (180deg=-0.51) USER MOD ----------------------------------------------------------------- ATOM 149 N GLU A 32 110.960 10.609 0.021 1.00 0.00 N ATOM 150 CA GLU A 32 112.040 9.832 -0.667 1.00 0.00 C ATOM 151 C GLU A 32 111.942 8.351 -0.289 1.00 0.00 C ATOM 152 O GLU A 32 112.107 7.474 -1.118 1.00 0.00 O ATOM 153 CB GLU A 32 113.353 10.428 -0.151 1.00 0.00 C ATOM 154 CG GLU A 32 113.514 11.854 -0.684 1.00 0.00 C ATOM 155 CD GLU A 32 113.787 11.810 -2.187 1.00 0.00 C ATOM 156 OE1 GLU A 32 112.931 12.249 -2.938 1.00 0.00 O ATOM 157 OE2 GLU A 32 114.848 11.340 -2.562 1.00 0.00 O ATOM 0 HA GLU A 32 111.965 9.893 -1.753 1.00 0.00 H new ATOM 0 HB2 GLU A 32 113.358 10.434 0.939 1.00 0.00 H new ATOM 0 HB3 GLU A 32 114.194 9.812 -0.470 1.00 0.00 H new ATOM 0 HG2 GLU A 32 112.612 12.432 -0.485 1.00 0.00 H new ATOM 0 HG3 GLU A 32 114.334 12.355 -0.169 1.00 0.00 H new ATOM 164 N VAL A 33 111.667 8.076 0.960 1.00 0.00 N ATOM 165 CA VAL A 33 111.546 6.659 1.415 1.00 0.00 C ATOM 166 C VAL A 33 110.420 6.537 2.448 1.00 0.00 C ATOM 167 O VAL A 33 110.254 7.390 3.299 1.00 0.00 O ATOM 168 CB VAL A 33 112.910 6.321 2.035 1.00 0.00 C ATOM 169 CG1 VAL A 33 113.199 7.252 3.219 1.00 0.00 C ATOM 170 CG2 VAL A 33 112.910 4.868 2.517 1.00 0.00 C ATOM 0 H VAL A 33 111.520 8.776 1.688 1.00 0.00 H new ATOM 0 HA VAL A 33 111.299 5.976 0.602 1.00 0.00 H new ATOM 0 HB VAL A 33 113.684 6.456 1.279 1.00 0.00 H new ATOM 0 HG11 VAL A 33 114.169 7.002 3.650 1.00 0.00 H new ATOM 0 HG12 VAL A 33 113.210 8.286 2.874 1.00 0.00 H new ATOM 0 HG13 VAL A 33 112.424 7.130 3.975 1.00 0.00 H new ATOM 0 HG21 VAL A 33 113.879 4.630 2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 33 112.129 4.733 3.265 1.00 0.00 H new ATOM 0 HG23 VAL A 33 112.722 4.205 1.673 1.00 0.00 H new ATOM 180 N GLN A 34 109.649 5.482 2.376 1.00 0.00 N ATOM 181 CA GLN A 34 108.532 5.297 3.349 1.00 0.00 C ATOM 182 C GLN A 34 108.922 4.262 4.407 1.00 0.00 C ATOM 183 O GLN A 34 109.543 3.259 4.106 1.00 0.00 O ATOM 184 CB GLN A 34 107.356 4.792 2.512 1.00 0.00 C ATOM 185 CG GLN A 34 106.846 5.922 1.615 1.00 0.00 C ATOM 186 CD GLN A 34 105.691 5.408 0.754 1.00 0.00 C ATOM 187 OE1 GLN A 34 105.727 4.294 0.270 1.00 0.00 O ATOM 188 NE2 GLN A 34 104.658 6.178 0.542 1.00 0.00 N ATOM 0 H GLN A 34 109.746 4.739 1.683 1.00 0.00 H new ATOM 0 HA GLN A 34 108.288 6.218 3.879 1.00 0.00 H new ATOM 0 HB2 GLN A 34 107.667 3.943 1.904 1.00 0.00 H new ATOM 0 HB3 GLN A 34 106.556 4.441 3.164 1.00 0.00 H new ATOM 0 HG2 GLN A 34 106.513 6.762 2.224 1.00 0.00 H new ATOM 0 HG3 GLN A 34 107.652 6.288 0.980 1.00 0.00 H new ATOM 0 HE21 GLN A 34 104.627 7.113 0.948 1.00 0.00 H new ATOM 0 HE22 GLN A 34 103.882 5.844 -0.030 1.00 0.00 H new ATOM 197 N VAL A 35 108.566 4.501 5.644 1.00 0.00 N ATOM 198 CA VAL A 35 108.917 3.535 6.728 1.00 0.00 C ATOM 199 C VAL A 35 107.885 2.402 6.783 1.00 0.00 C ATOM 200 O VAL A 35 106.692 2.638 6.735 1.00 0.00 O ATOM 201 CB VAL A 35 108.903 4.361 8.021 1.00 0.00 C ATOM 202 CG1 VAL A 35 107.505 4.953 8.259 1.00 0.00 C ATOM 203 CG2 VAL A 35 109.291 3.462 9.202 1.00 0.00 C ATOM 0 H VAL A 35 108.047 5.324 5.950 1.00 0.00 H new ATOM 0 HA VAL A 35 109.886 3.063 6.566 1.00 0.00 H new ATOM 0 HB VAL A 35 109.619 5.178 7.930 1.00 0.00 H new ATOM 0 HG11 VAL A 35 107.509 5.537 9.180 1.00 0.00 H new ATOM 0 HG12 VAL A 35 107.235 5.597 7.422 1.00 0.00 H new ATOM 0 HG13 VAL A 35 106.778 4.146 8.344 1.00 0.00 H new ATOM 0 HG21 VAL A 35 109.282 4.046 10.122 1.00 0.00 H new ATOM 0 HG22 VAL A 35 108.577 2.643 9.285 1.00 0.00 H new ATOM 0 HG23 VAL A 35 110.290 3.058 9.039 1.00 0.00 H new ATOM 213 N VAL A 36 108.338 1.178 6.886 1.00 0.00 N ATOM 214 CA VAL A 36 107.390 0.025 6.946 1.00 0.00 C ATOM 215 C VAL A 36 107.710 -0.855 8.159 1.00 0.00 C ATOM 216 O VAL A 36 108.844 -1.241 8.371 1.00 0.00 O ATOM 217 CB VAL A 36 107.613 -0.753 5.643 1.00 0.00 C ATOM 218 CG1 VAL A 36 106.660 -1.949 5.589 1.00 0.00 C ATOM 219 CG2 VAL A 36 107.345 0.160 4.442 1.00 0.00 C ATOM 0 H VAL A 36 109.326 0.927 6.931 1.00 0.00 H new ATOM 0 HA VAL A 36 106.354 0.349 7.049 1.00 0.00 H new ATOM 0 HB VAL A 36 108.644 -1.105 5.610 1.00 0.00 H new ATOM 0 HG11 VAL A 36 106.820 -2.500 4.662 1.00 0.00 H new ATOM 0 HG12 VAL A 36 106.850 -2.605 6.439 1.00 0.00 H new ATOM 0 HG13 VAL A 36 105.630 -1.595 5.627 1.00 0.00 H new ATOM 0 HG21 VAL A 36 107.505 -0.397 3.519 1.00 0.00 H new ATOM 0 HG22 VAL A 36 106.315 0.515 4.478 1.00 0.00 H new ATOM 0 HG23 VAL A 36 108.024 1.012 4.474 1.00 0.00 H new ATOM 229 N SER A 37 106.718 -1.174 8.950 1.00 0.00 N ATOM 230 CA SER A 37 106.955 -2.032 10.150 1.00 0.00 C ATOM 231 C SER A 37 106.085 -3.288 10.076 1.00 0.00 C ATOM 232 O SER A 37 104.909 -3.220 9.771 1.00 0.00 O ATOM 233 CB SER A 37 106.550 -1.167 11.342 1.00 0.00 C ATOM 234 OG SER A 37 107.492 -0.113 11.498 1.00 0.00 O ATOM 0 H SER A 37 105.752 -0.877 8.816 1.00 0.00 H new ATOM 0 HA SER A 37 107.990 -2.365 10.224 1.00 0.00 H new ATOM 0 HB2 SER A 37 105.552 -0.758 11.187 1.00 0.00 H new ATOM 0 HB3 SER A 37 106.510 -1.772 12.248 1.00 0.00 H new ATOM 0 HG SER A 37 107.235 0.446 12.261 1.00 0.00 H new ATOM 240 N THR A 38 106.655 -4.435 10.350 1.00 0.00 N ATOM 241 CA THR A 38 105.864 -5.703 10.294 1.00 0.00 C ATOM 242 C THR A 38 105.651 -6.253 11.705 1.00 0.00 C ATOM 243 O THR A 38 106.008 -5.627 12.686 1.00 0.00 O ATOM 244 CB THR A 38 106.693 -6.683 9.451 1.00 0.00 C ATOM 245 OG1 THR A 38 107.479 -5.966 8.508 1.00 0.00 O ATOM 246 CG2 THR A 38 105.762 -7.642 8.705 1.00 0.00 C ATOM 0 H THR A 38 107.635 -4.548 10.610 1.00 0.00 H new ATOM 0 HA THR A 38 104.878 -5.544 9.858 1.00 0.00 H new ATOM 0 HB THR A 38 107.347 -7.250 10.113 1.00 0.00 H new ATOM 0 HG1 THR A 38 108.304 -5.658 8.937 1.00 0.00 H new ATOM 0 HG21 THR A 38 106.355 -8.335 8.109 1.00 0.00 H new ATOM 0 HG22 THR A 38 105.164 -8.202 9.424 1.00 0.00 H new ATOM 0 HG23 THR A 38 105.102 -7.073 8.050 1.00 0.00 H new ATOM 254 N ALA A 39 105.059 -7.412 11.810 1.00 0.00 N ATOM 255 CA ALA A 39 104.798 -8.011 13.154 1.00 0.00 C ATOM 256 C ALA A 39 106.101 -8.461 13.827 1.00 0.00 C ATOM 257 O ALA A 39 106.258 -8.331 15.027 1.00 0.00 O ATOM 258 CB ALA A 39 103.893 -9.217 12.888 1.00 0.00 C ATOM 0 H ALA A 39 104.743 -7.974 11.020 1.00 0.00 H new ATOM 0 HA ALA A 39 104.338 -7.288 13.828 1.00 0.00 H new ATOM 0 HB1 ALA A 39 103.657 -9.710 13.831 1.00 0.00 H new ATOM 0 HB2 ALA A 39 102.971 -8.882 12.413 1.00 0.00 H new ATOM 0 HB3 ALA A 39 104.406 -9.919 12.230 1.00 0.00 H new ATOM 264 N THR A 40 107.026 -9.005 13.074 1.00 0.00 N ATOM 265 CA THR A 40 108.306 -9.483 13.688 1.00 0.00 C ATOM 266 C THR A 40 109.521 -8.738 13.121 1.00 0.00 C ATOM 267 O THR A 40 110.577 -8.725 13.725 1.00 0.00 O ATOM 268 CB THR A 40 108.384 -10.975 13.338 1.00 0.00 C ATOM 269 OG1 THR A 40 109.599 -11.511 13.844 1.00 0.00 O ATOM 270 CG2 THR A 40 108.340 -11.161 11.819 1.00 0.00 C ATOM 0 H THR A 40 106.952 -9.139 12.066 1.00 0.00 H new ATOM 0 HA THR A 40 108.318 -9.304 14.763 1.00 0.00 H new ATOM 0 HB THR A 40 107.535 -11.493 13.785 1.00 0.00 H new ATOM 0 HG1 THR A 40 109.653 -12.465 13.624 1.00 0.00 H new ATOM 0 HG21 THR A 40 108.396 -12.223 11.581 1.00 0.00 H new ATOM 0 HG22 THR A 40 107.409 -10.750 11.429 1.00 0.00 H new ATOM 0 HG23 THR A 40 109.184 -10.642 11.364 1.00 0.00 H new ATOM 278 N GLN A 41 109.390 -8.127 11.969 1.00 0.00 N ATOM 279 CA GLN A 41 110.553 -7.398 11.372 1.00 0.00 C ATOM 280 C GLN A 41 110.134 -6.002 10.900 1.00 0.00 C ATOM 281 O GLN A 41 108.986 -5.762 10.587 1.00 0.00 O ATOM 282 CB GLN A 41 110.987 -8.258 10.186 1.00 0.00 C ATOM 283 CG GLN A 41 111.617 -9.554 10.698 1.00 0.00 C ATOM 284 CD GLN A 41 111.882 -10.494 9.519 1.00 0.00 C ATOM 285 OE1 GLN A 41 110.960 -11.006 8.917 1.00 0.00 O ATOM 286 NE2 GLN A 41 113.113 -10.745 9.164 1.00 0.00 N ATOM 0 H GLN A 41 108.532 -8.101 11.418 1.00 0.00 H new ATOM 0 HA GLN A 41 111.358 -7.252 12.092 1.00 0.00 H new ATOM 0 HB2 GLN A 41 110.128 -8.484 9.554 1.00 0.00 H new ATOM 0 HB3 GLN A 41 111.702 -7.712 9.570 1.00 0.00 H new ATOM 0 HG2 GLN A 41 112.549 -9.336 11.220 1.00 0.00 H new ATOM 0 HG3 GLN A 41 110.953 -10.034 11.417 1.00 0.00 H new ATOM 0 HE21 GLN A 41 113.887 -10.315 9.670 1.00 0.00 H new ATOM 0 HE22 GLN A 41 113.300 -11.371 8.381 1.00 0.00 H new ATOM 295 N SER A 42 111.065 -5.084 10.844 1.00 0.00 N ATOM 296 CA SER A 42 110.735 -3.702 10.384 1.00 0.00 C ATOM 297 C SER A 42 111.762 -3.238 9.347 1.00 0.00 C ATOM 298 O SER A 42 112.951 -3.235 9.600 1.00 0.00 O ATOM 299 CB SER A 42 110.810 -2.836 11.640 1.00 0.00 C ATOM 300 OG SER A 42 109.796 -3.241 12.551 1.00 0.00 O ATOM 0 H SER A 42 112.042 -5.233 11.098 1.00 0.00 H new ATOM 0 HA SER A 42 109.754 -3.644 9.912 1.00 0.00 H new ATOM 0 HB2 SER A 42 111.792 -2.932 12.104 1.00 0.00 H new ATOM 0 HB3 SER A 42 110.682 -1.785 11.379 1.00 0.00 H new ATOM 0 HG SER A 42 109.842 -2.688 13.359 1.00 0.00 H new ATOM 306 N PHE A 43 111.308 -2.851 8.182 1.00 0.00 N ATOM 307 CA PHE A 43 112.253 -2.393 7.116 1.00 0.00 C ATOM 308 C PHE A 43 111.723 -1.127 6.436 1.00 0.00 C ATOM 309 O PHE A 43 110.596 -0.723 6.652 1.00 0.00 O ATOM 310 CB PHE A 43 112.326 -3.552 6.112 1.00 0.00 C ATOM 311 CG PHE A 43 110.940 -3.892 5.610 1.00 0.00 C ATOM 312 CD1 PHE A 43 110.144 -4.792 6.327 1.00 0.00 C ATOM 313 CD2 PHE A 43 110.452 -3.310 4.434 1.00 0.00 C ATOM 314 CE1 PHE A 43 108.862 -5.111 5.871 1.00 0.00 C ATOM 315 CE2 PHE A 43 109.168 -3.629 3.976 1.00 0.00 C ATOM 316 CZ PHE A 43 108.373 -4.531 4.697 1.00 0.00 C ATOM 0 H PHE A 43 110.322 -2.832 7.922 1.00 0.00 H new ATOM 0 HA PHE A 43 113.234 -2.146 7.523 1.00 0.00 H new ATOM 0 HB2 PHE A 43 112.968 -3.278 5.275 1.00 0.00 H new ATOM 0 HB3 PHE A 43 112.775 -4.426 6.585 1.00 0.00 H new ATOM 0 HD1 PHE A 43 110.521 -5.241 7.234 1.00 0.00 H new ATOM 0 HD2 PHE A 43 111.066 -2.615 3.880 1.00 0.00 H new ATOM 0 HE1 PHE A 43 108.249 -5.806 6.426 1.00 0.00 H new ATOM 0 HE2 PHE A 43 108.791 -3.181 3.069 1.00 0.00 H new ATOM 0 HZ PHE A 43 107.382 -4.778 4.345 1.00 0.00 H new ATOM 326 N LEU A 44 112.532 -0.503 5.619 1.00 0.00 N ATOM 327 CA LEU A 44 112.086 0.741 4.918 1.00 0.00 C ATOM 328 C LEU A 44 112.041 0.498 3.406 1.00 0.00 C ATOM 329 O LEU A 44 112.800 -0.290 2.875 1.00 0.00 O ATOM 330 CB LEU A 44 113.141 1.809 5.252 1.00 0.00 C ATOM 331 CG LEU A 44 113.356 1.914 6.771 1.00 0.00 C ATOM 332 CD1 LEU A 44 114.402 2.989 7.057 1.00 0.00 C ATOM 333 CD2 LEU A 44 112.048 2.297 7.464 1.00 0.00 C ATOM 0 H LEU A 44 113.484 -0.801 5.406 1.00 0.00 H new ATOM 0 HA LEU A 44 111.089 1.050 5.232 1.00 0.00 H new ATOM 0 HB2 LEU A 44 114.083 1.560 4.764 1.00 0.00 H new ATOM 0 HB3 LEU A 44 112.824 2.775 4.858 1.00 0.00 H new ATOM 0 HG LEU A 44 113.694 0.949 7.149 1.00 0.00 H new ATOM 0 HD11 LEU A 44 114.558 3.068 8.133 1.00 0.00 H new ATOM 0 HD12 LEU A 44 115.341 2.721 6.573 1.00 0.00 H new ATOM 0 HD13 LEU A 44 114.055 3.947 6.670 1.00 0.00 H new ATOM 0 HD21 LEU A 44 112.213 2.368 8.539 1.00 0.00 H new ATOM 0 HD22 LEU A 44 111.704 3.259 7.085 1.00 0.00 H new ATOM 0 HD23 LEU A 44 111.293 1.537 7.262 1.00 0.00 H new ATOM 345 N ALA A 45 111.157 1.170 2.712 1.00 0.00 N ATOM 346 CA ALA A 45 111.057 0.983 1.233 1.00 0.00 C ATOM 347 C ALA A 45 111.416 2.287 0.509 1.00 0.00 C ATOM 348 O ALA A 45 111.176 3.369 1.010 1.00 0.00 O ATOM 349 CB ALA A 45 109.594 0.617 0.979 1.00 0.00 C ATOM 0 H ALA A 45 110.499 1.842 3.107 1.00 0.00 H new ATOM 0 HA ALA A 45 111.740 0.217 0.867 1.00 0.00 H new ATOM 0 HB1 ALA A 45 109.438 0.463 -0.089 1.00 0.00 H new ATOM 0 HB2 ALA A 45 109.349 -0.298 1.518 1.00 0.00 H new ATOM 0 HB3 ALA A 45 108.951 1.426 1.327 1.00 0.00 H new ATOM 355 N THR A 46 111.987 2.187 -0.665 1.00 0.00 N ATOM 356 CA THR A 46 112.363 3.415 -1.432 1.00 0.00 C ATOM 357 C THR A 46 111.629 3.435 -2.774 1.00 0.00 C ATOM 358 O THR A 46 111.533 2.429 -3.449 1.00 0.00 O ATOM 359 CB THR A 46 113.875 3.302 -1.647 1.00 0.00 C ATOM 360 OG1 THR A 46 114.524 3.207 -0.387 1.00 0.00 O ATOM 361 CG2 THR A 46 114.384 4.539 -2.391 1.00 0.00 C ATOM 0 H THR A 46 112.210 1.305 -1.127 1.00 0.00 H new ATOM 0 HA THR A 46 112.097 4.332 -0.907 1.00 0.00 H new ATOM 0 HB THR A 46 114.091 2.412 -2.238 1.00 0.00 H new ATOM 0 HG1 THR A 46 114.692 2.265 -0.176 1.00 0.00 H new ATOM 0 HG21 THR A 46 115.460 4.455 -2.542 1.00 0.00 H new ATOM 0 HG22 THR A 46 113.886 4.612 -3.358 1.00 0.00 H new ATOM 0 HG23 THR A 46 114.169 5.431 -1.803 1.00 0.00 H new ATOM 369 N CYS A 47 111.102 4.571 -3.164 1.00 0.00 N ATOM 370 CA CYS A 47 110.364 4.644 -4.466 1.00 0.00 C ATOM 371 C CYS A 47 111.288 5.116 -5.599 1.00 0.00 C ATOM 372 O CYS A 47 111.856 6.190 -5.554 1.00 0.00 O ATOM 373 CB CYS A 47 109.205 5.632 -4.238 1.00 0.00 C ATOM 374 SG CYS A 47 109.830 7.278 -3.799 1.00 0.00 S ATOM 0 H CYS A 47 111.150 5.446 -2.641 1.00 0.00 H new ATOM 0 HA CYS A 47 109.993 3.665 -4.770 1.00 0.00 H new ATOM 0 HB2 CYS A 47 108.597 5.699 -5.140 1.00 0.00 H new ATOM 0 HB3 CYS A 47 108.557 5.261 -3.444 1.00 0.00 H new ATOM 0 HG CYS A 47 110.983 7.470 -4.367 1.00 0.00 H new ATOM 380 N VAL A 48 111.433 4.307 -6.619 1.00 0.00 N ATOM 381 CA VAL A 48 112.308 4.683 -7.770 1.00 0.00 C ATOM 382 C VAL A 48 111.547 4.484 -9.086 1.00 0.00 C ATOM 383 O VAL A 48 110.970 3.442 -9.327 1.00 0.00 O ATOM 384 CB VAL A 48 113.511 3.736 -7.691 1.00 0.00 C ATOM 385 CG1 VAL A 48 114.482 4.037 -8.836 1.00 0.00 C ATOM 386 CG2 VAL A 48 114.232 3.934 -6.354 1.00 0.00 C ATOM 0 H VAL A 48 110.980 3.397 -6.703 1.00 0.00 H new ATOM 0 HA VAL A 48 112.619 5.727 -7.732 1.00 0.00 H new ATOM 0 HB VAL A 48 113.162 2.707 -7.771 1.00 0.00 H new ATOM 0 HG11 VAL A 48 115.336 3.362 -8.776 1.00 0.00 H new ATOM 0 HG12 VAL A 48 113.974 3.896 -9.790 1.00 0.00 H new ATOM 0 HG13 VAL A 48 114.828 5.068 -8.758 1.00 0.00 H new ATOM 0 HG21 VAL A 48 115.087 3.260 -6.299 1.00 0.00 H new ATOM 0 HG22 VAL A 48 114.577 4.965 -6.276 1.00 0.00 H new ATOM 0 HG23 VAL A 48 113.546 3.718 -5.535 1.00 0.00 H new ATOM 396 N ASN A 49 111.547 5.479 -9.939 1.00 0.00 N ATOM 397 CA ASN A 49 110.829 5.373 -11.254 1.00 0.00 C ATOM 398 C ASN A 49 109.363 4.959 -11.052 1.00 0.00 C ATOM 399 O ASN A 49 108.823 4.177 -11.811 1.00 0.00 O ATOM 400 CB ASN A 49 111.585 4.302 -12.047 1.00 0.00 C ATOM 401 CG ASN A 49 112.960 4.839 -12.451 1.00 0.00 C ATOM 402 OD1 ASN A 49 113.155 6.034 -12.548 1.00 0.00 O ATOM 403 ND2 ASN A 49 113.928 3.999 -12.692 1.00 0.00 N ATOM 0 H ASN A 49 112.018 6.370 -9.781 1.00 0.00 H new ATOM 0 HA ASN A 49 110.810 6.330 -11.776 1.00 0.00 H new ATOM 0 HB2 ASN A 49 111.698 3.401 -11.445 1.00 0.00 H new ATOM 0 HB3 ASN A 49 111.017 4.023 -12.934 1.00 0.00 H new ATOM 0 HD21 ASN A 49 114.849 4.346 -12.962 1.00 0.00 H new ATOM 0 HD22 ASN A 49 113.765 2.995 -12.611 1.00 0.00 H new ATOM 410 N GLY A 50 108.720 5.489 -10.043 1.00 0.00 N ATOM 411 CA GLY A 50 107.287 5.143 -9.790 1.00 0.00 C ATOM 412 C GLY A 50 107.154 3.684 -9.328 1.00 0.00 C ATOM 413 O GLY A 50 106.074 3.122 -9.344 1.00 0.00 O ATOM 0 H GLY A 50 109.127 6.149 -9.380 1.00 0.00 H new ATOM 0 HA2 GLY A 50 106.875 5.809 -9.031 1.00 0.00 H new ATOM 0 HA3 GLY A 50 106.705 5.296 -10.699 1.00 0.00 H new ATOM 417 N VAL A 51 108.234 3.068 -8.910 1.00 0.00 N ATOM 418 CA VAL A 51 108.159 1.650 -8.441 1.00 0.00 C ATOM 419 C VAL A 51 108.758 1.538 -7.036 1.00 0.00 C ATOM 420 O VAL A 51 109.897 1.898 -6.811 1.00 0.00 O ATOM 421 CB VAL A 51 108.988 0.849 -9.451 1.00 0.00 C ATOM 422 CG1 VAL A 51 108.981 -0.633 -9.066 1.00 0.00 C ATOM 423 CG2 VAL A 51 108.385 1.007 -10.849 1.00 0.00 C ATOM 0 H VAL A 51 109.163 3.487 -8.874 1.00 0.00 H new ATOM 0 HA VAL A 51 107.134 1.282 -8.383 1.00 0.00 H new ATOM 0 HB VAL A 51 110.012 1.222 -9.448 1.00 0.00 H new ATOM 0 HG11 VAL A 51 109.571 -1.199 -9.787 1.00 0.00 H new ATOM 0 HG12 VAL A 51 109.410 -0.753 -8.071 1.00 0.00 H new ATOM 0 HG13 VAL A 51 107.956 -1.004 -9.066 1.00 0.00 H new ATOM 0 HG21 VAL A 51 108.975 0.437 -11.566 1.00 0.00 H new ATOM 0 HG22 VAL A 51 107.360 0.637 -10.847 1.00 0.00 H new ATOM 0 HG23 VAL A 51 108.390 2.060 -11.130 1.00 0.00 H new ATOM 433 N CYS A 52 107.999 1.041 -6.094 1.00 0.00 N ATOM 434 CA CYS A 52 108.524 0.905 -4.701 1.00 0.00 C ATOM 435 C CYS A 52 109.406 -0.340 -4.589 1.00 0.00 C ATOM 436 O CYS A 52 108.943 -1.450 -4.748 1.00 0.00 O ATOM 437 CB CYS A 52 107.282 0.764 -3.819 1.00 0.00 C ATOM 438 SG CYS A 52 107.767 0.840 -2.078 1.00 0.00 S ATOM 0 H CYS A 52 107.039 0.723 -6.228 1.00 0.00 H new ATOM 0 HA CYS A 52 109.137 1.757 -4.406 1.00 0.00 H new ATOM 0 HB2 CYS A 52 106.571 1.559 -4.044 1.00 0.00 H new ATOM 0 HB3 CYS A 52 106.781 -0.181 -4.027 1.00 0.00 H new ATOM 0 HG CYS A 52 106.712 0.723 -1.328 1.00 0.00 H new ATOM 444 N TRP A 53 110.673 -0.157 -4.315 1.00 0.00 N ATOM 445 CA TRP A 53 111.596 -1.324 -4.188 1.00 0.00 C ATOM 446 C TRP A 53 111.915 -1.586 -2.713 1.00 0.00 C ATOM 447 O TRP A 53 112.151 -0.669 -1.949 1.00 0.00 O ATOM 448 CB TRP A 53 112.861 -0.913 -4.941 1.00 0.00 C ATOM 449 CG TRP A 53 112.644 -1.078 -6.412 1.00 0.00 C ATOM 450 CD1 TRP A 53 112.177 -0.117 -7.241 1.00 0.00 C ATOM 451 CD2 TRP A 53 112.881 -2.253 -7.239 1.00 0.00 C ATOM 452 NE1 TRP A 53 112.110 -0.627 -8.524 1.00 0.00 N ATOM 453 CE2 TRP A 53 112.534 -1.941 -8.574 1.00 0.00 C ATOM 454 CE3 TRP A 53 113.358 -3.547 -6.963 1.00 0.00 C ATOM 455 CZ2 TRP A 53 112.656 -2.879 -9.601 1.00 0.00 C ATOM 456 CZ3 TRP A 53 113.482 -4.494 -7.994 1.00 0.00 C ATOM 457 CH2 TRP A 53 113.131 -4.160 -9.309 1.00 0.00 C ATOM 0 H TRP A 53 111.109 0.754 -4.173 1.00 0.00 H new ATOM 0 HA TRP A 53 111.161 -2.239 -4.589 1.00 0.00 H new ATOM 0 HB2 TRP A 53 113.111 0.123 -4.714 1.00 0.00 H new ATOM 0 HB3 TRP A 53 113.704 -1.523 -4.617 1.00 0.00 H new ATOM 0 HD1 TRP A 53 111.901 0.885 -6.948 1.00 0.00 H new ATOM 0 HE1 TRP A 53 111.787 -0.098 -9.334 1.00 0.00 H new ATOM 0 HE3 TRP A 53 113.631 -3.814 -5.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 112.385 -2.616 -10.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 113.850 -5.485 -7.772 1.00 0.00 H new ATOM 0 HH2 TRP A 53 113.228 -4.893 -10.097 1.00 0.00 H new ATOM 468 N THR A 54 111.923 -2.831 -2.312 1.00 0.00 N ATOM 469 CA THR A 54 112.228 -3.166 -0.887 1.00 0.00 C ATOM 470 C THR A 54 113.182 -4.361 -0.830 1.00 0.00 C ATOM 471 O THR A 54 113.566 -4.905 -1.849 1.00 0.00 O ATOM 472 CB THR A 54 110.884 -3.528 -0.241 1.00 0.00 C ATOM 473 OG1 THR A 54 110.414 -4.753 -0.787 1.00 0.00 O ATOM 474 CG2 THR A 54 109.850 -2.426 -0.501 1.00 0.00 C ATOM 0 H THR A 54 111.731 -3.633 -2.912 1.00 0.00 H new ATOM 0 HA THR A 54 112.706 -2.335 -0.368 1.00 0.00 H new ATOM 0 HB THR A 54 111.027 -3.630 0.835 1.00 0.00 H new ATOM 0 HG1 THR A 54 109.556 -4.987 -0.375 1.00 0.00 H new ATOM 0 HG21 THR A 54 108.903 -2.699 -0.036 1.00 0.00 H new ATOM 0 HG22 THR A 54 110.205 -1.487 -0.077 1.00 0.00 H new ATOM 0 HG23 THR A 54 109.706 -2.308 -1.575 1.00 0.00 H new ATOM 482 N VAL A 55 113.562 -4.776 0.353 1.00 0.00 N ATOM 483 CA VAL A 55 114.489 -5.944 0.477 1.00 0.00 C ATOM 484 C VAL A 55 113.679 -7.245 0.460 1.00 0.00 C ATOM 485 O VAL A 55 112.589 -7.310 0.998 1.00 0.00 O ATOM 486 CB VAL A 55 115.193 -5.755 1.826 1.00 0.00 C ATOM 487 CG1 VAL A 55 116.207 -6.885 2.038 1.00 0.00 C ATOM 488 CG2 VAL A 55 115.923 -4.406 1.841 1.00 0.00 C ATOM 0 H VAL A 55 113.271 -4.358 1.237 1.00 0.00 H new ATOM 0 HA VAL A 55 115.207 -6.001 -0.341 1.00 0.00 H new ATOM 0 HB VAL A 55 114.452 -5.776 2.625 1.00 0.00 H new ATOM 0 HG11 VAL A 55 116.707 -6.750 2.997 1.00 0.00 H new ATOM 0 HG12 VAL A 55 115.690 -7.844 2.030 1.00 0.00 H new ATOM 0 HG13 VAL A 55 116.946 -6.865 1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 55 116.423 -4.273 2.801 1.00 0.00 H new ATOM 0 HG22 VAL A 55 116.663 -4.384 1.041 1.00 0.00 H new ATOM 0 HG23 VAL A 55 115.203 -3.601 1.693 1.00 0.00 H new ATOM 498 N TYR A 56 114.193 -8.274 -0.170 1.00 0.00 N ATOM 499 CA TYR A 56 113.438 -9.565 -0.243 1.00 0.00 C ATOM 500 C TYR A 56 113.576 -10.376 1.057 1.00 0.00 C ATOM 501 O TYR A 56 112.612 -10.950 1.530 1.00 0.00 O ATOM 502 CB TYR A 56 114.063 -10.317 -1.429 1.00 0.00 C ATOM 503 CG TYR A 56 113.526 -11.732 -1.495 1.00 0.00 C ATOM 504 CD1 TYR A 56 112.413 -12.033 -2.286 1.00 0.00 C ATOM 505 CD2 TYR A 56 114.146 -12.738 -0.749 1.00 0.00 C ATOM 506 CE1 TYR A 56 111.921 -13.344 -2.331 1.00 0.00 C ATOM 507 CE2 TYR A 56 113.659 -14.047 -0.794 1.00 0.00 C ATOM 508 CZ TYR A 56 112.545 -14.351 -1.586 1.00 0.00 C ATOM 509 OH TYR A 56 112.058 -15.643 -1.630 1.00 0.00 O ATOM 0 H TYR A 56 115.100 -8.276 -0.636 1.00 0.00 H new ATOM 0 HA TYR A 56 112.368 -9.400 -0.374 1.00 0.00 H new ATOM 0 HB2 TYR A 56 113.841 -9.793 -2.359 1.00 0.00 H new ATOM 0 HB3 TYR A 56 115.148 -10.337 -1.325 1.00 0.00 H new ATOM 0 HD1 TYR A 56 111.933 -11.256 -2.862 1.00 0.00 H new ATOM 0 HD2 TYR A 56 115.004 -12.503 -0.136 1.00 0.00 H new ATOM 0 HE1 TYR A 56 111.060 -13.577 -2.940 1.00 0.00 H new ATOM 0 HE2 TYR A 56 114.141 -14.823 -0.219 1.00 0.00 H new ATOM 0 HH TYR A 56 112.606 -16.219 -1.057 1.00 0.00 H new ATOM 519 N HIS A 57 114.757 -10.455 1.623 1.00 0.00 N ATOM 520 CA HIS A 57 114.922 -11.263 2.871 1.00 0.00 C ATOM 521 C HIS A 57 114.159 -10.620 4.040 1.00 0.00 C ATOM 522 O HIS A 57 113.854 -11.273 5.021 1.00 0.00 O ATOM 523 CB HIS A 57 116.441 -11.336 3.132 1.00 0.00 C ATOM 524 CG HIS A 57 117.001 -10.006 3.577 1.00 0.00 C ATOM 525 ND1 HIS A 57 118.086 -9.402 2.931 1.00 0.00 N ATOM 526 CD2 HIS A 57 116.678 -9.174 4.626 1.00 0.00 C ATOM 527 CE1 HIS A 57 118.374 -8.263 3.595 1.00 0.00 C ATOM 528 NE2 HIS A 57 117.546 -8.101 4.615 1.00 0.00 N ATOM 0 H HIS A 57 115.603 -10.001 1.280 1.00 0.00 H new ATOM 0 HA HIS A 57 114.507 -12.265 2.766 1.00 0.00 H new ATOM 0 HB2 HIS A 57 116.642 -12.088 3.895 1.00 0.00 H new ATOM 0 HB3 HIS A 57 116.950 -11.659 2.224 1.00 0.00 H new ATOM 0 HD1 HIS A 57 118.571 -9.758 2.108 1.00 0.00 H new ATOM 0 HD2 HIS A 57 115.881 -9.334 5.337 1.00 0.00 H new ATOM 0 HE1 HIS A 57 119.168 -7.580 3.331 1.00 0.00 H new ATOM 536 N GLY A 58 113.845 -9.350 3.939 1.00 0.00 N ATOM 537 CA GLY A 58 113.098 -8.668 5.037 1.00 0.00 C ATOM 538 C GLY A 58 111.612 -8.602 4.679 1.00 0.00 C ATOM 539 O GLY A 58 110.760 -8.972 5.466 1.00 0.00 O ATOM 0 H GLY A 58 114.075 -8.758 3.141 1.00 0.00 H new ATOM 0 HA2 GLY A 58 113.234 -9.209 5.974 1.00 0.00 H new ATOM 0 HA3 GLY A 58 113.491 -7.663 5.189 1.00 0.00 H new ATOM 543 N ALA A 59 111.295 -8.132 3.498 1.00 0.00 N ATOM 544 CA ALA A 59 109.864 -8.037 3.081 1.00 0.00 C ATOM 545 C ALA A 59 109.510 -9.179 2.123 1.00 0.00 C ATOM 546 O ALA A 59 108.431 -9.737 2.182 1.00 0.00 O ATOM 547 CB ALA A 59 109.746 -6.687 2.372 1.00 0.00 C ATOM 0 H ALA A 59 111.969 -7.809 2.803 1.00 0.00 H new ATOM 0 HA ALA A 59 109.183 -8.114 3.929 1.00 0.00 H new ATOM 0 HB1 ALA A 59 108.720 -6.542 2.034 1.00 0.00 H new ATOM 0 HB2 ALA A 59 110.017 -5.888 3.063 1.00 0.00 H new ATOM 0 HB3 ALA A 59 110.417 -6.667 1.513 1.00 0.00 H new ATOM 553 N GLY A 60 110.416 -9.532 1.244 1.00 0.00 N ATOM 554 CA GLY A 60 110.145 -10.640 0.278 1.00 0.00 C ATOM 555 C GLY A 60 109.847 -11.940 1.037 1.00 0.00 C ATOM 556 O GLY A 60 109.234 -12.847 0.505 1.00 0.00 O ATOM 0 H GLY A 60 111.335 -9.098 1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 60 109.299 -10.379 -0.358 1.00 0.00 H new ATOM 0 HA3 GLY A 60 111.005 -10.781 -0.377 1.00 0.00 H new ATOM 719 N THR A 72 99.951 -8.908 -5.850 1.00 0.00 N ATOM 720 CA THR A 72 101.082 -9.886 -5.871 1.00 0.00 C ATOM 721 C THR A 72 102.409 -9.146 -6.057 1.00 0.00 C ATOM 722 O THR A 72 102.461 -8.097 -6.671 1.00 0.00 O ATOM 723 CB THR A 72 100.805 -10.802 -7.065 1.00 0.00 C ATOM 724 OG1 THR A 72 99.512 -11.375 -6.930 1.00 0.00 O ATOM 725 CG2 THR A 72 101.855 -11.912 -7.114 1.00 0.00 C ATOM 0 HA THR A 72 101.156 -10.450 -4.941 1.00 0.00 H new ATOM 0 HB THR A 72 100.851 -10.222 -7.987 1.00 0.00 H new ATOM 0 HG1 THR A 72 98.923 -10.746 -6.463 1.00 0.00 H new ATOM 0 HG21 THR A 72 101.656 -12.564 -7.965 1.00 0.00 H new ATOM 0 HG22 THR A 72 102.846 -11.471 -7.218 1.00 0.00 H new ATOM 0 HG23 THR A 72 101.812 -12.494 -6.194 1.00 0.00 H new ATOM 733 N GLN A 73 103.479 -9.682 -5.526 1.00 0.00 N ATOM 734 CA GLN A 73 104.810 -9.008 -5.663 1.00 0.00 C ATOM 735 C GLN A 73 105.173 -8.840 -7.141 1.00 0.00 C ATOM 736 O GLN A 73 105.211 -9.796 -7.893 1.00 0.00 O ATOM 737 CB GLN A 73 105.806 -9.943 -4.973 1.00 0.00 C ATOM 738 CG GLN A 73 105.505 -9.995 -3.475 1.00 0.00 C ATOM 739 CD GLN A 73 106.502 -10.930 -2.786 1.00 0.00 C ATOM 740 OE1 GLN A 73 106.115 -11.911 -2.184 1.00 0.00 O ATOM 741 NE2 GLN A 73 107.778 -10.665 -2.851 1.00 0.00 N ATOM 0 H GLN A 73 103.490 -10.558 -5.003 1.00 0.00 H new ATOM 0 HA GLN A 73 104.811 -8.012 -5.220 1.00 0.00 H new ATOM 0 HB2 GLN A 73 105.740 -10.943 -5.403 1.00 0.00 H new ATOM 0 HB3 GLN A 73 106.825 -9.592 -5.138 1.00 0.00 H new ATOM 0 HG2 GLN A 73 105.571 -8.995 -3.045 1.00 0.00 H new ATOM 0 HG3 GLN A 73 104.487 -10.347 -3.310 1.00 0.00 H new ATOM 0 HE21 GLN A 73 108.103 -9.841 -3.357 1.00 0.00 H new ATOM 0 HE22 GLN A 73 108.451 -11.282 -2.396 1.00 0.00 H new ATOM 750 N MET A 74 105.438 -7.628 -7.559 1.00 0.00 N ATOM 751 CA MET A 74 105.800 -7.383 -8.990 1.00 0.00 C ATOM 752 C MET A 74 107.186 -7.958 -9.293 1.00 0.00 C ATOM 753 O MET A 74 107.414 -8.525 -10.346 1.00 0.00 O ATOM 754 CB MET A 74 105.806 -5.861 -9.149 1.00 0.00 C ATOM 755 CG MET A 74 105.971 -5.502 -10.627 1.00 0.00 C ATOM 756 SD MET A 74 104.400 -5.760 -11.489 1.00 0.00 S ATOM 757 CE MET A 74 105.094 -6.148 -13.114 1.00 0.00 C ATOM 0 H MET A 74 105.419 -6.795 -6.970 1.00 0.00 H new ATOM 0 HA MET A 74 105.100 -7.860 -9.676 1.00 0.00 H new ATOM 0 HB2 MET A 74 104.877 -5.441 -8.763 1.00 0.00 H new ATOM 0 HB3 MET A 74 106.618 -5.427 -8.566 1.00 0.00 H new ATOM 0 HG2 MET A 74 106.287 -4.464 -10.727 1.00 0.00 H new ATOM 0 HG3 MET A 74 106.750 -6.117 -11.077 1.00 0.00 H new ATOM 0 HE1 MET A 74 104.285 -6.346 -13.817 1.00 0.00 H new ATOM 0 HE2 MET A 74 105.685 -5.303 -13.468 1.00 0.00 H new ATOM 0 HE3 MET A 74 105.731 -7.029 -13.037 1.00 0.00 H new ATOM 767 N TYR A 75 108.113 -7.812 -8.380 1.00 0.00 N ATOM 768 CA TYR A 75 109.490 -8.346 -8.611 1.00 0.00 C ATOM 769 C TYR A 75 109.906 -9.262 -7.457 1.00 0.00 C ATOM 770 O TYR A 75 109.792 -8.906 -6.298 1.00 0.00 O ATOM 771 CB TYR A 75 110.391 -7.111 -8.669 1.00 0.00 C ATOM 772 CG TYR A 75 109.974 -6.235 -9.828 1.00 0.00 C ATOM 773 CD1 TYR A 75 110.009 -6.740 -11.132 1.00 0.00 C ATOM 774 CD2 TYR A 75 109.552 -4.920 -9.597 1.00 0.00 C ATOM 775 CE1 TYR A 75 109.622 -5.931 -12.208 1.00 0.00 C ATOM 776 CE2 TYR A 75 109.166 -4.110 -10.673 1.00 0.00 C ATOM 777 CZ TYR A 75 109.200 -4.617 -11.977 1.00 0.00 C ATOM 778 OH TYR A 75 108.818 -3.819 -13.037 1.00 0.00 O ATOM 0 H TYR A 75 107.975 -7.345 -7.483 1.00 0.00 H new ATOM 0 HA TYR A 75 109.553 -8.939 -9.523 1.00 0.00 H new ATOM 0 HB2 TYR A 75 110.322 -6.553 -7.735 1.00 0.00 H new ATOM 0 HB3 TYR A 75 111.432 -7.413 -8.784 1.00 0.00 H new ATOM 0 HD1 TYR A 75 110.335 -7.754 -11.309 1.00 0.00 H new ATOM 0 HD2 TYR A 75 109.524 -4.530 -8.590 1.00 0.00 H new ATOM 0 HE1 TYR A 75 109.649 -6.321 -13.215 1.00 0.00 H new ATOM 0 HE2 TYR A 75 108.842 -3.095 -10.496 1.00 0.00 H new ATOM 0 HH TYR A 75 108.552 -2.937 -12.703 1.00 0.00 H new ATOM 788 N THR A 76 110.385 -10.442 -7.772 1.00 0.00 N ATOM 789 CA THR A 76 110.811 -11.398 -6.705 1.00 0.00 C ATOM 790 C THR A 76 112.125 -12.083 -7.098 1.00 0.00 C ATOM 791 O THR A 76 112.194 -12.770 -8.100 1.00 0.00 O ATOM 792 CB THR A 76 109.679 -12.422 -6.628 1.00 0.00 C ATOM 793 OG1 THR A 76 108.451 -11.751 -6.382 1.00 0.00 O ATOM 794 CG2 THR A 76 109.957 -13.409 -5.497 1.00 0.00 C ATOM 0 H THR A 76 110.499 -10.784 -8.726 1.00 0.00 H new ATOM 0 HA THR A 76 110.986 -10.903 -5.750 1.00 0.00 H new ATOM 0 HB THR A 76 109.615 -12.964 -7.572 1.00 0.00 H new ATOM 0 HG1 THR A 76 107.724 -12.406 -6.334 1.00 0.00 H new ATOM 0 HG21 THR A 76 109.149 -14.138 -5.444 1.00 0.00 H new ATOM 0 HG22 THR A 76 110.899 -13.924 -5.687 1.00 0.00 H new ATOM 0 HG23 THR A 76 110.022 -12.870 -4.552 1.00 0.00 H new ATOM 802 N ASN A 77 113.167 -11.903 -6.320 1.00 0.00 N ATOM 803 CA ASN A 77 114.473 -12.551 -6.659 1.00 0.00 C ATOM 804 C ASN A 77 115.355 -12.703 -5.413 1.00 0.00 C ATOM 805 O ASN A 77 115.821 -11.730 -4.851 1.00 0.00 O ATOM 806 CB ASN A 77 115.129 -11.601 -7.661 1.00 0.00 C ATOM 807 CG ASN A 77 116.380 -12.260 -8.251 1.00 0.00 C ATOM 808 OD1 ASN A 77 116.956 -13.145 -7.651 1.00 0.00 O ATOM 809 ND2 ASN A 77 116.825 -11.861 -9.411 1.00 0.00 N ATOM 0 H ASN A 77 113.169 -11.339 -5.470 1.00 0.00 H new ATOM 0 HA ASN A 77 114.335 -13.554 -7.062 1.00 0.00 H new ATOM 0 HB2 ASN A 77 114.426 -11.354 -8.457 1.00 0.00 H new ATOM 0 HB3 ASN A 77 115.396 -10.665 -7.169 1.00 0.00 H new ATOM 0 HD21 ASN A 77 117.657 -12.292 -9.814 1.00 0.00 H new ATOM 0 HD22 ASN A 77 116.341 -11.118 -9.915 1.00 0.00 H new ATOM 816 N VAL A 78 115.598 -13.921 -4.988 1.00 0.00 N ATOM 817 CA VAL A 78 116.466 -14.145 -3.789 1.00 0.00 C ATOM 818 C VAL A 78 117.920 -13.795 -4.138 1.00 0.00 C ATOM 819 O VAL A 78 118.633 -13.215 -3.342 1.00 0.00 O ATOM 820 CB VAL A 78 116.310 -15.639 -3.446 1.00 0.00 C ATOM 821 CG1 VAL A 78 117.327 -16.065 -2.369 1.00 0.00 C ATOM 822 CG2 VAL A 78 114.891 -15.891 -2.925 1.00 0.00 C ATOM 0 H VAL A 78 115.232 -14.769 -5.420 1.00 0.00 H new ATOM 0 HA VAL A 78 116.186 -13.521 -2.940 1.00 0.00 H new ATOM 0 HB VAL A 78 116.492 -16.223 -4.348 1.00 0.00 H new ATOM 0 HG11 VAL A 78 117.197 -17.124 -2.144 1.00 0.00 H new ATOM 0 HG12 VAL A 78 118.339 -15.894 -2.736 1.00 0.00 H new ATOM 0 HG13 VAL A 78 117.165 -15.479 -1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 78 114.775 -16.947 -2.681 1.00 0.00 H new ATOM 0 HG22 VAL A 78 114.720 -15.291 -2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 78 114.167 -15.615 -3.692 1.00 0.00 H new ATOM 832 N ASP A 79 118.362 -14.149 -5.321 1.00 0.00 N ATOM 833 CA ASP A 79 119.773 -13.843 -5.722 1.00 0.00 C ATOM 834 C ASP A 79 120.023 -12.336 -5.650 1.00 0.00 C ATOM 835 O ASP A 79 121.017 -11.888 -5.110 1.00 0.00 O ATOM 836 CB ASP A 79 119.897 -14.331 -7.166 1.00 0.00 C ATOM 837 CG ASP A 79 120.090 -15.851 -7.187 1.00 0.00 C ATOM 838 OD1 ASP A 79 120.659 -16.372 -6.242 1.00 0.00 O ATOM 839 OD2 ASP A 79 119.666 -16.468 -8.150 1.00 0.00 O ATOM 0 H ASP A 79 117.808 -14.636 -6.026 1.00 0.00 H new ATOM 0 HA ASP A 79 120.499 -14.324 -5.066 1.00 0.00 H new ATOM 0 HB2 ASP A 79 119.003 -14.061 -7.728 1.00 0.00 H new ATOM 0 HB3 ASP A 79 120.740 -13.842 -7.654 1.00 0.00 H new ATOM 844 N GLN A 80 119.116 -11.555 -6.175 1.00 0.00 N ATOM 845 CA GLN A 80 119.279 -10.074 -6.124 1.00 0.00 C ATOM 846 C GLN A 80 118.750 -9.531 -4.788 1.00 0.00 C ATOM 847 O GLN A 80 119.013 -8.402 -4.425 1.00 0.00 O ATOM 848 CB GLN A 80 118.442 -9.540 -7.287 1.00 0.00 C ATOM 849 CG GLN A 80 119.114 -8.296 -7.869 1.00 0.00 C ATOM 850 CD GLN A 80 120.216 -8.718 -8.843 1.00 0.00 C ATOM 851 OE1 GLN A 80 121.231 -9.249 -8.437 1.00 0.00 O ATOM 852 NE2 GLN A 80 120.058 -8.505 -10.121 1.00 0.00 N ATOM 0 H GLN A 80 118.267 -11.881 -6.638 1.00 0.00 H new ATOM 0 HA GLN A 80 120.323 -9.771 -6.202 1.00 0.00 H new ATOM 0 HB2 GLN A 80 118.340 -10.305 -8.057 1.00 0.00 H new ATOM 0 HB3 GLN A 80 117.437 -9.296 -6.944 1.00 0.00 H new ATOM 0 HG2 GLN A 80 118.377 -7.679 -8.383 1.00 0.00 H new ATOM 0 HG3 GLN A 80 119.535 -7.689 -7.068 1.00 0.00 H new ATOM 0 HE21 GLN A 80 119.206 -8.059 -10.462 1.00 0.00 H new ATOM 0 HE22 GLN A 80 120.786 -8.784 -10.778 1.00 0.00 H new ATOM 861 N ASP A 81 118.003 -10.331 -4.050 1.00 0.00 N ATOM 862 CA ASP A 81 117.451 -9.870 -2.734 1.00 0.00 C ATOM 863 C ASP A 81 116.674 -8.559 -2.905 1.00 0.00 C ATOM 864 O ASP A 81 116.762 -7.668 -2.080 1.00 0.00 O ATOM 865 CB ASP A 81 118.671 -9.656 -1.828 1.00 0.00 C ATOM 866 CG ASP A 81 118.228 -9.528 -0.364 1.00 0.00 C ATOM 867 OD1 ASP A 81 117.059 -9.720 -0.065 1.00 0.00 O ATOM 868 OD2 ASP A 81 119.174 -9.200 0.585 1.00 0.00 O ATOM 0 H ASP A 81 117.754 -11.286 -4.308 1.00 0.00 H new ATOM 0 HA ASP A 81 116.757 -10.597 -2.312 1.00 0.00 H new ATOM 0 HB2 ASP A 81 119.363 -10.491 -1.934 1.00 0.00 H new ATOM 0 HB3 ASP A 81 119.207 -8.757 -2.133 1.00 0.00 H new ATOM 874 N LEU A 82 115.922 -8.435 -3.971 1.00 0.00 N ATOM 875 CA LEU A 82 115.147 -7.179 -4.199 1.00 0.00 C ATOM 876 C LEU A 82 113.732 -7.481 -4.700 1.00 0.00 C ATOM 877 O LEU A 82 113.499 -8.444 -5.408 1.00 0.00 O ATOM 878 CB LEU A 82 115.937 -6.417 -5.263 1.00 0.00 C ATOM 879 CG LEU A 82 117.203 -5.833 -4.637 1.00 0.00 C ATOM 880 CD1 LEU A 82 118.114 -5.288 -5.739 1.00 0.00 C ATOM 881 CD2 LEU A 82 116.820 -4.696 -3.686 1.00 0.00 C ATOM 0 H LEU A 82 115.812 -9.149 -4.691 1.00 0.00 H new ATOM 0 HA LEU A 82 115.029 -6.608 -3.278 1.00 0.00 H new ATOM 0 HB2 LEU A 82 116.199 -7.084 -6.084 1.00 0.00 H new ATOM 0 HB3 LEU A 82 115.325 -5.619 -5.684 1.00 0.00 H new ATOM 0 HG LEU A 82 117.728 -6.612 -4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 82 119.017 -4.872 -5.292 1.00 0.00 H new ATOM 0 HD12 LEU A 82 118.385 -6.095 -6.419 1.00 0.00 H new ATOM 0 HD13 LEU A 82 117.590 -4.508 -6.292 1.00 0.00 H new ATOM 0 HD21 LEU A 82 117.721 -4.277 -3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 82 116.296 -3.918 -4.241 1.00 0.00 H new ATOM 0 HD23 LEU A 82 116.170 -5.082 -2.901 1.00 0.00 H new ATOM 893 N VAL A 83 112.795 -6.646 -4.339 1.00 0.00 N ATOM 894 CA VAL A 83 111.376 -6.830 -4.781 1.00 0.00 C ATOM 895 C VAL A 83 110.701 -5.466 -4.888 1.00 0.00 C ATOM 896 O VAL A 83 111.309 -4.449 -4.607 1.00 0.00 O ATOM 897 CB VAL A 83 110.689 -7.681 -3.702 1.00 0.00 C ATOM 898 CG1 VAL A 83 111.201 -9.114 -3.786 1.00 0.00 C ATOM 899 CG2 VAL A 83 110.972 -7.115 -2.300 1.00 0.00 C ATOM 0 H VAL A 83 112.952 -5.830 -3.747 1.00 0.00 H new ATOM 0 HA VAL A 83 111.315 -7.316 -5.755 1.00 0.00 H new ATOM 0 HB VAL A 83 109.613 -7.661 -3.873 1.00 0.00 H new ATOM 0 HG11 VAL A 83 110.715 -9.720 -3.021 1.00 0.00 H new ATOM 0 HG12 VAL A 83 110.976 -9.524 -4.771 1.00 0.00 H new ATOM 0 HG13 VAL A 83 112.279 -9.125 -3.626 1.00 0.00 H new ATOM 0 HG21 VAL A 83 110.476 -7.733 -1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 83 112.047 -7.116 -2.117 1.00 0.00 H new ATOM 0 HG23 VAL A 83 110.594 -6.095 -2.236 1.00 0.00 H new ATOM 909 N GLY A 84 109.455 -5.426 -5.286 1.00 0.00 N ATOM 910 CA GLY A 84 108.758 -4.111 -5.396 1.00 0.00 C ATOM 911 C GLY A 84 107.318 -4.299 -5.870 1.00 0.00 C ATOM 912 O GLY A 84 106.908 -5.380 -6.246 1.00 0.00 O ATOM 0 H GLY A 84 108.895 -6.240 -5.538 1.00 0.00 H new ATOM 0 HA2 GLY A 84 108.765 -3.609 -4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 84 109.294 -3.467 -6.093 1.00 0.00 H new ATOM 916 N TRP A 85 106.552 -3.239 -5.852 1.00 0.00 N ATOM 917 CA TRP A 85 105.129 -3.317 -6.298 1.00 0.00 C ATOM 918 C TRP A 85 104.843 -2.198 -7.303 1.00 0.00 C ATOM 919 O TRP A 85 105.554 -1.211 -7.358 1.00 0.00 O ATOM 920 CB TRP A 85 104.301 -3.116 -5.025 1.00 0.00 C ATOM 921 CG TRP A 85 104.592 -4.217 -4.055 1.00 0.00 C ATOM 922 CD1 TRP A 85 104.214 -5.507 -4.206 1.00 0.00 C ATOM 923 CD2 TRP A 85 105.314 -4.148 -2.790 1.00 0.00 C ATOM 924 NE1 TRP A 85 104.657 -6.234 -3.116 1.00 0.00 N ATOM 925 CE2 TRP A 85 105.341 -5.440 -2.216 1.00 0.00 C ATOM 926 CE3 TRP A 85 105.943 -3.100 -2.094 1.00 0.00 C ATOM 927 CZ2 TRP A 85 105.968 -5.685 -0.993 1.00 0.00 C ATOM 928 CZ3 TRP A 85 106.575 -3.342 -0.863 1.00 0.00 C ATOM 929 CH2 TRP A 85 106.587 -4.632 -0.314 1.00 0.00 C ATOM 0 H TRP A 85 106.854 -2.315 -5.545 1.00 0.00 H new ATOM 0 HA TRP A 85 104.896 -4.263 -6.787 1.00 0.00 H new ATOM 0 HB2 TRP A 85 104.536 -2.151 -4.576 1.00 0.00 H new ATOM 0 HB3 TRP A 85 103.239 -3.104 -5.269 1.00 0.00 H new ATOM 0 HD1 TRP A 85 103.657 -5.904 -5.042 1.00 0.00 H new ATOM 0 HE1 TRP A 85 104.498 -7.234 -2.992 1.00 0.00 H new ATOM 0 HE3 TRP A 85 105.940 -2.103 -2.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 105.975 -6.681 -0.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 107.054 -2.530 -0.337 1.00 0.00 H new ATOM 0 HH2 TRP A 85 107.074 -4.812 0.633 1.00 0.00 H new ATOM 940 N GLN A 86 103.812 -2.342 -8.096 1.00 0.00 N ATOM 941 CA GLN A 86 103.482 -1.283 -9.097 1.00 0.00 C ATOM 942 C GLN A 86 102.702 -0.148 -8.428 1.00 0.00 C ATOM 943 O GLN A 86 101.672 -0.367 -7.819 1.00 0.00 O ATOM 944 CB GLN A 86 102.623 -1.983 -10.147 1.00 0.00 C ATOM 945 CG GLN A 86 102.305 -1.005 -11.281 1.00 0.00 C ATOM 946 CD GLN A 86 101.443 -1.705 -12.334 1.00 0.00 C ATOM 947 OE1 GLN A 86 100.385 -2.218 -12.027 1.00 0.00 O ATOM 948 NE2 GLN A 86 101.857 -1.753 -13.571 1.00 0.00 N ATOM 0 H GLN A 86 103.185 -3.146 -8.094 1.00 0.00 H new ATOM 0 HA GLN A 86 104.374 -0.837 -9.536 1.00 0.00 H new ATOM 0 HB2 GLN A 86 103.148 -2.854 -10.540 1.00 0.00 H new ATOM 0 HB3 GLN A 86 101.700 -2.345 -9.695 1.00 0.00 H new ATOM 0 HG2 GLN A 86 101.781 -0.134 -10.888 1.00 0.00 H new ATOM 0 HG3 GLN A 86 103.229 -0.644 -11.734 1.00 0.00 H new ATOM 0 HE21 GLN A 86 102.745 -1.322 -13.829 1.00 0.00 H new ATOM 0 HE22 GLN A 86 101.292 -2.221 -14.280 1.00 0.00 H new ATOM 957 N ALA A 87 103.192 1.062 -8.534 1.00 0.00 N ATOM 958 CA ALA A 87 102.489 2.220 -7.905 1.00 0.00 C ATOM 959 C ALA A 87 101.617 2.942 -8.945 1.00 0.00 C ATOM 960 O ALA A 87 101.791 2.742 -10.131 1.00 0.00 O ATOM 961 CB ALA A 87 103.609 3.138 -7.413 1.00 0.00 C ATOM 0 H ALA A 87 104.051 1.297 -9.031 1.00 0.00 H new ATOM 0 HA ALA A 87 101.826 1.913 -7.096 1.00 0.00 H new ATOM 0 HB1 ALA A 87 103.176 4.017 -6.936 1.00 0.00 H new ATOM 0 HB2 ALA A 87 104.228 2.603 -6.693 1.00 0.00 H new ATOM 0 HB3 ALA A 87 104.222 3.449 -8.259 1.00 0.00 H new ATOM 967 N PRO A 88 100.700 3.763 -8.475 1.00 0.00 N ATOM 968 CA PRO A 88 99.812 4.504 -9.404 1.00 0.00 C ATOM 969 C PRO A 88 100.602 5.589 -10.152 1.00 0.00 C ATOM 970 O PRO A 88 101.578 6.098 -9.636 1.00 0.00 O ATOM 971 CB PRO A 88 98.763 5.127 -8.485 1.00 0.00 C ATOM 972 CG PRO A 88 99.431 5.227 -7.153 1.00 0.00 C ATOM 973 CD PRO A 88 100.406 4.083 -7.066 1.00 0.00 C ATOM 0 HA PRO A 88 99.371 3.868 -10.171 1.00 0.00 H new ATOM 0 HB2 PRO A 88 98.453 6.108 -8.846 1.00 0.00 H new ATOM 0 HB3 PRO A 88 97.867 4.509 -8.432 1.00 0.00 H new ATOM 0 HG2 PRO A 88 99.946 6.182 -7.050 1.00 0.00 H new ATOM 0 HG3 PRO A 88 98.698 5.172 -6.348 1.00 0.00 H new ATOM 0 HD2 PRO A 88 101.308 4.367 -6.524 1.00 0.00 H new ATOM 0 HD3 PRO A 88 99.975 3.229 -6.543 1.00 0.00 H new ATOM 981 N PRO A 89 100.163 5.915 -11.349 1.00 0.00 N ATOM 982 CA PRO A 89 100.862 6.952 -12.148 1.00 0.00 C ATOM 983 C PRO A 89 100.607 8.343 -11.558 1.00 0.00 C ATOM 984 O PRO A 89 99.631 8.561 -10.863 1.00 0.00 O ATOM 985 CB PRO A 89 100.236 6.825 -13.534 1.00 0.00 C ATOM 986 CG PRO A 89 98.888 6.223 -13.298 1.00 0.00 C ATOM 987 CD PRO A 89 98.997 5.366 -12.065 1.00 0.00 C ATOM 0 HA PRO A 89 101.944 6.822 -12.164 1.00 0.00 H new ATOM 0 HB2 PRO A 89 100.154 7.797 -14.020 1.00 0.00 H new ATOM 0 HB3 PRO A 89 100.842 6.193 -14.184 1.00 0.00 H new ATOM 0 HG2 PRO A 89 98.137 7.001 -13.161 1.00 0.00 H new ATOM 0 HG3 PRO A 89 98.577 5.627 -14.156 1.00 0.00 H new ATOM 0 HD2 PRO A 89 98.093 5.423 -11.458 1.00 0.00 H new ATOM 0 HD3 PRO A 89 99.144 4.317 -12.320 1.00 0.00 H new ATOM 995 N GLY A 90 101.476 9.282 -11.834 1.00 0.00 N ATOM 996 CA GLY A 90 101.293 10.661 -11.293 1.00 0.00 C ATOM 997 C GLY A 90 101.989 10.781 -9.936 1.00 0.00 C ATOM 998 O GLY A 90 101.566 11.530 -9.077 1.00 0.00 O ATOM 0 H GLY A 90 102.306 9.152 -12.412 1.00 0.00 H new ATOM 0 HA2 GLY A 90 101.704 11.392 -11.989 1.00 0.00 H new ATOM 0 HA3 GLY A 90 100.231 10.883 -11.188 1.00 0.00 H new ATOM 1002 N ALA A 91 103.055 10.045 -9.739 1.00 0.00 N ATOM 1003 CA ALA A 91 103.787 10.110 -8.438 1.00 0.00 C ATOM 1004 C ALA A 91 105.256 10.474 -8.674 1.00 0.00 C ATOM 1005 O ALA A 91 105.803 10.224 -9.732 1.00 0.00 O ATOM 1006 CB ALA A 91 103.671 8.706 -7.847 1.00 0.00 C ATOM 0 H ALA A 91 103.450 9.401 -10.425 1.00 0.00 H new ATOM 0 HA ALA A 91 103.376 10.868 -7.771 1.00 0.00 H new ATOM 0 HB1 ALA A 91 104.186 8.672 -6.887 1.00 0.00 H new ATOM 0 HB2 ALA A 91 102.619 8.457 -7.704 1.00 0.00 H new ATOM 0 HB3 ALA A 91 104.125 7.986 -8.528 1.00 0.00 H new ATOM 1012 N ARG A 92 105.895 11.062 -7.694 1.00 0.00 N ATOM 1013 CA ARG A 92 107.331 11.449 -7.853 1.00 0.00 C ATOM 1014 C ARG A 92 108.215 10.199 -7.876 1.00 0.00 C ATOM 1015 O ARG A 92 107.897 9.191 -7.274 1.00 0.00 O ATOM 1016 CB ARG A 92 107.654 12.313 -6.632 1.00 0.00 C ATOM 1017 CG ARG A 92 106.925 13.653 -6.752 1.00 0.00 C ATOM 1018 CD ARG A 92 107.245 14.522 -5.534 1.00 0.00 C ATOM 1019 NE ARG A 92 106.479 15.786 -5.753 1.00 0.00 N ATOM 1020 CZ ARG A 92 106.090 16.536 -4.742 1.00 0.00 C ATOM 1021 NH1 ARG A 92 106.523 16.319 -3.521 1.00 0.00 N ATOM 1022 NH2 ARG A 92 105.259 17.518 -4.959 1.00 0.00 N ATOM 0 H ARG A 92 105.484 11.291 -6.789 1.00 0.00 H new ATOM 0 HA ARG A 92 107.511 11.984 -8.785 1.00 0.00 H new ATOM 0 HB2 ARG A 92 107.349 11.801 -5.719 1.00 0.00 H new ATOM 0 HB3 ARG A 92 108.729 12.476 -6.562 1.00 0.00 H new ATOM 0 HG2 ARG A 92 107.229 14.164 -7.666 1.00 0.00 H new ATOM 0 HG3 ARG A 92 105.850 13.489 -6.822 1.00 0.00 H new ATOM 0 HD2 ARG A 92 106.943 14.032 -4.608 1.00 0.00 H new ATOM 0 HD3 ARG A 92 108.315 14.716 -5.457 1.00 0.00 H new ATOM 0 HE ARG A 92 106.253 16.074 -6.705 1.00 0.00 H new ATOM 0 HH11 ARG A 92 107.175 15.556 -3.339 1.00 0.00 H new ATOM 0 HH12 ARG A 92 106.207 16.914 -2.755 1.00 0.00 H new ATOM 0 HH21 ARG A 92 104.918 17.698 -5.903 1.00 0.00 H new ATOM 0 HH22 ARG A 92 104.951 18.106 -4.184 1.00 0.00 H new ATOM 1036 N SER A 93 109.323 10.262 -8.572 1.00 0.00 N ATOM 1037 CA SER A 93 110.236 9.081 -8.646 1.00 0.00 C ATOM 1038 C SER A 93 111.686 9.519 -8.424 1.00 0.00 C ATOM 1039 O SER A 93 112.028 10.674 -8.598 1.00 0.00 O ATOM 1040 CB SER A 93 110.052 8.535 -10.061 1.00 0.00 C ATOM 1041 OG SER A 93 110.543 9.484 -10.999 1.00 0.00 O ATOM 0 H SER A 93 109.635 11.082 -9.093 1.00 0.00 H new ATOM 0 HA SER A 93 110.012 8.333 -7.885 1.00 0.00 H new ATOM 0 HB2 SER A 93 110.584 7.590 -10.170 1.00 0.00 H new ATOM 0 HB3 SER A 93 108.998 8.331 -10.250 1.00 0.00 H new ATOM 0 HG SER A 93 110.428 9.136 -11.908 1.00 0.00 H new ATOM 1047 N LEU A 94 112.540 8.602 -8.041 1.00 0.00 N ATOM 1048 CA LEU A 94 113.973 8.956 -7.805 1.00 0.00 C ATOM 1049 C LEU A 94 114.842 8.463 -8.965 1.00 0.00 C ATOM 1050 O LEU A 94 114.632 7.388 -9.496 1.00 0.00 O ATOM 1051 CB LEU A 94 114.355 8.241 -6.508 1.00 0.00 C ATOM 1052 CG LEU A 94 113.722 8.959 -5.315 1.00 0.00 C ATOM 1053 CD1 LEU A 94 113.817 8.070 -4.074 1.00 0.00 C ATOM 1054 CD2 LEU A 94 114.469 10.270 -5.053 1.00 0.00 C ATOM 0 H LEU A 94 112.306 7.622 -7.882 1.00 0.00 H new ATOM 0 HA LEU A 94 114.121 10.034 -7.734 1.00 0.00 H new ATOM 0 HB2 LEU A 94 114.019 7.205 -6.541 1.00 0.00 H new ATOM 0 HB3 LEU A 94 115.439 8.221 -6.399 1.00 0.00 H new ATOM 0 HG LEU A 94 112.676 9.170 -5.535 1.00 0.00 H new ATOM 0 HD11 LEU A 94 113.366 8.582 -3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 94 113.289 7.134 -4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 94 114.864 7.860 -3.857 1.00 0.00 H new ATOM 0 HD21 LEU A 94 114.018 10.782 -4.203 1.00 0.00 H new ATOM 0 HD22 LEU A 94 115.515 10.055 -4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 94 114.406 10.907 -5.935 1.00 0.00 H new ATOM 1066 N THR A 95 115.817 9.243 -9.356 1.00 0.00 N ATOM 1067 CA THR A 95 116.710 8.833 -10.480 1.00 0.00 C ATOM 1068 C THR A 95 118.083 8.406 -9.939 1.00 0.00 C ATOM 1069 O THR A 95 118.435 8.748 -8.827 1.00 0.00 O ATOM 1070 CB THR A 95 116.844 10.082 -11.353 1.00 0.00 C ATOM 1071 OG1 THR A 95 117.225 11.185 -10.543 1.00 0.00 O ATOM 1072 CG2 THR A 95 115.506 10.381 -12.030 1.00 0.00 C ATOM 0 H THR A 95 116.033 10.150 -8.943 1.00 0.00 H new ATOM 0 HA THR A 95 116.311 7.985 -11.037 1.00 0.00 H new ATOM 0 HB THR A 95 117.603 9.912 -12.116 1.00 0.00 H new ATOM 0 HG1 THR A 95 117.313 11.986 -11.101 1.00 0.00 H new ATOM 0 HG21 THR A 95 115.604 11.271 -12.651 1.00 0.00 H new ATOM 0 HG22 THR A 95 115.216 9.534 -12.652 1.00 0.00 H new ATOM 0 HG23 THR A 95 114.744 10.551 -11.270 1.00 0.00 H new ATOM 1080 N PRO A 96 118.826 7.669 -10.739 1.00 0.00 N ATOM 1081 CA PRO A 96 120.169 7.210 -10.304 1.00 0.00 C ATOM 1082 C PRO A 96 121.150 8.385 -10.278 1.00 0.00 C ATOM 1083 O PRO A 96 120.999 9.347 -11.008 1.00 0.00 O ATOM 1084 CB PRO A 96 120.566 6.192 -11.371 1.00 0.00 C ATOM 1085 CG PRO A 96 119.784 6.577 -12.584 1.00 0.00 C ATOM 1086 CD PRO A 96 118.502 7.202 -12.099 1.00 0.00 C ATOM 0 HA PRO A 96 120.173 6.787 -9.299 1.00 0.00 H new ATOM 0 HB2 PRO A 96 121.638 6.223 -11.566 1.00 0.00 H new ATOM 0 HB3 PRO A 96 120.329 5.176 -11.055 1.00 0.00 H new ATOM 0 HG2 PRO A 96 120.347 7.279 -13.199 1.00 0.00 H new ATOM 0 HG3 PRO A 96 119.578 5.704 -13.203 1.00 0.00 H new ATOM 0 HD2 PRO A 96 118.192 8.027 -12.741 1.00 0.00 H new ATOM 0 HD3 PRO A 96 117.685 6.481 -12.089 1.00 0.00 H new ATOM 1094 N CYS A 97 122.154 8.313 -9.441 1.00 0.00 N ATOM 1095 CA CYS A 97 123.151 9.421 -9.361 1.00 0.00 C ATOM 1096 C CYS A 97 124.244 9.228 -10.415 1.00 0.00 C ATOM 1097 O CYS A 97 124.702 8.126 -10.649 1.00 0.00 O ATOM 1098 CB CYS A 97 123.740 9.327 -7.953 1.00 0.00 C ATOM 1099 SG CYS A 97 124.465 10.921 -7.497 1.00 0.00 S ATOM 0 H CYS A 97 122.326 7.532 -8.808 1.00 0.00 H new ATOM 0 HA CYS A 97 122.699 10.395 -9.548 1.00 0.00 H new ATOM 0 HB2 CYS A 97 122.963 9.051 -7.240 1.00 0.00 H new ATOM 0 HB3 CYS A 97 124.499 8.546 -7.916 1.00 0.00 H new ATOM 0 HG CYS A 97 125.293 10.754 -6.509 1.00 0.00 H new ATOM 1104 N THR A 98 124.660 10.294 -11.050 1.00 0.00 N ATOM 1105 CA THR A 98 125.722 10.185 -12.094 1.00 0.00 C ATOM 1106 C THR A 98 126.873 11.145 -11.779 1.00 0.00 C ATOM 1107 O THR A 98 127.042 12.160 -12.431 1.00 0.00 O ATOM 1108 CB THR A 98 125.032 10.579 -13.401 1.00 0.00 C ATOM 1109 OG1 THR A 98 123.876 9.773 -13.586 1.00 0.00 O ATOM 1110 CG2 THR A 98 125.995 10.369 -14.571 1.00 0.00 C ATOM 0 H THR A 98 124.308 11.238 -10.889 1.00 0.00 H new ATOM 0 HA THR A 98 126.151 9.184 -12.147 1.00 0.00 H new ATOM 0 HB THR A 98 124.740 11.628 -13.357 1.00 0.00 H new ATOM 0 HG1 THR A 98 123.432 10.025 -14.422 1.00 0.00 H new ATOM 0 HG21 THR A 98 125.503 10.650 -15.502 1.00 0.00 H new ATOM 0 HG22 THR A 98 126.881 10.987 -14.428 1.00 0.00 H new ATOM 0 HG23 THR A 98 126.288 9.320 -14.617 1.00 0.00 H new ATOM 1118 N CYS A 99 127.661 10.836 -10.777 1.00 0.00 N ATOM 1119 CA CYS A 99 128.798 11.741 -10.413 1.00 0.00 C ATOM 1120 C CYS A 99 130.038 10.962 -9.927 1.00 0.00 C ATOM 1121 O CYS A 99 131.094 11.539 -9.746 1.00 0.00 O ATOM 1122 CB CYS A 99 128.249 12.634 -9.289 1.00 0.00 C ATOM 1123 SG CYS A 99 127.728 11.621 -7.876 1.00 0.00 S ATOM 0 H CYS A 99 127.567 10.001 -10.198 1.00 0.00 H new ATOM 0 HA CYS A 99 129.135 12.310 -11.279 1.00 0.00 H new ATOM 0 HB2 CYS A 99 129.013 13.344 -8.974 1.00 0.00 H new ATOM 0 HB3 CYS A 99 127.405 13.217 -9.658 1.00 0.00 H new ATOM 0 HG CYS A 99 126.492 11.253 -8.038 1.00 0.00 H new ATOM 1128 N GLY A 100 129.935 9.666 -9.722 1.00 0.00 N ATOM 1129 CA GLY A 100 131.120 8.874 -9.259 1.00 0.00 C ATOM 1130 C GLY A 100 131.690 9.474 -7.968 1.00 0.00 C ATOM 1131 O GLY A 100 132.884 9.443 -7.737 1.00 0.00 O ATOM 0 H GLY A 100 129.081 9.125 -9.856 1.00 0.00 H new ATOM 0 HA2 GLY A 100 130.829 7.837 -9.089 1.00 0.00 H new ATOM 0 HA3 GLY A 100 131.886 8.867 -10.034 1.00 0.00 H new ATOM 1135 N SER A 101 130.845 10.025 -7.134 1.00 0.00 N ATOM 1136 CA SER A 101 131.334 10.635 -5.859 1.00 0.00 C ATOM 1137 C SER A 101 131.565 9.553 -4.802 1.00 0.00 C ATOM 1138 O SER A 101 130.648 8.859 -4.402 1.00 0.00 O ATOM 1139 CB SER A 101 130.220 11.584 -5.420 1.00 0.00 C ATOM 1140 OG SER A 101 130.680 12.378 -4.335 1.00 0.00 O ATOM 0 H SER A 101 129.837 10.079 -7.280 1.00 0.00 H new ATOM 0 HA SER A 101 132.284 11.153 -5.991 1.00 0.00 H new ATOM 0 HB2 SER A 101 129.921 12.222 -6.252 1.00 0.00 H new ATOM 0 HB3 SER A 101 129.339 11.016 -5.122 1.00 0.00 H new ATOM 0 HG SER A 101 130.024 12.350 -3.608 1.00 0.00 H new ATOM 1146 N SER A 102 132.783 9.410 -4.342 1.00 0.00 N ATOM 1147 CA SER A 102 133.084 8.377 -3.301 1.00 0.00 C ATOM 1148 C SER A 102 132.259 8.646 -2.039 1.00 0.00 C ATOM 1149 O SER A 102 131.754 7.733 -1.412 1.00 0.00 O ATOM 1150 CB SER A 102 134.577 8.521 -3.003 1.00 0.00 C ATOM 1151 OG SER A 102 135.325 8.098 -4.135 1.00 0.00 O ATOM 0 H SER A 102 133.584 9.965 -4.643 1.00 0.00 H new ATOM 0 HA SER A 102 132.836 7.371 -3.640 1.00 0.00 H new ATOM 0 HB2 SER A 102 134.813 9.558 -2.763 1.00 0.00 H new ATOM 0 HB3 SER A 102 134.845 7.923 -2.132 1.00 0.00 H new ATOM 0 HG SER A 102 136.282 8.191 -3.948 1.00 0.00 H new ATOM 1157 N ASP A 103 132.118 9.894 -1.667 1.00 0.00 N ATOM 1158 CA ASP A 103 131.324 10.230 -0.445 1.00 0.00 C ATOM 1159 C ASP A 103 129.861 9.833 -0.651 1.00 0.00 C ATOM 1160 O ASP A 103 129.230 10.232 -1.612 1.00 0.00 O ATOM 1161 CB ASP A 103 131.452 11.747 -0.286 1.00 0.00 C ATOM 1162 CG ASP A 103 132.882 12.101 0.130 1.00 0.00 C ATOM 1163 OD1 ASP A 103 133.349 13.155 -0.268 1.00 0.00 O ATOM 1164 OD2 ASP A 103 133.485 11.314 0.841 1.00 0.00 O ATOM 0 H ASP A 103 132.518 10.694 -2.156 1.00 0.00 H new ATOM 0 HA ASP A 103 131.680 9.701 0.439 1.00 0.00 H new ATOM 0 HB2 ASP A 103 131.202 12.243 -1.224 1.00 0.00 H new ATOM 0 HB3 ASP A 103 130.745 12.105 0.463 1.00 0.00 H new ATOM 1169 N LEU A 104 129.323 9.045 0.244 1.00 0.00 N ATOM 1170 CA LEU A 104 127.901 8.609 0.109 1.00 0.00 C ATOM 1171 C LEU A 104 127.147 8.842 1.421 1.00 0.00 C ATOM 1172 O LEU A 104 127.736 8.881 2.484 1.00 0.00 O ATOM 1173 CB LEU A 104 127.977 7.113 -0.201 1.00 0.00 C ATOM 1174 CG LEU A 104 128.643 6.902 -1.562 1.00 0.00 C ATOM 1175 CD1 LEU A 104 129.181 5.472 -1.649 1.00 0.00 C ATOM 1176 CD2 LEU A 104 127.614 7.126 -2.672 1.00 0.00 C ATOM 0 H LEU A 104 129.809 8.684 1.065 1.00 0.00 H new ATOM 0 HA LEU A 104 127.371 9.164 -0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 104 128.544 6.599 0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 104 126.976 6.681 -0.204 1.00 0.00 H new ATOM 0 HG LEU A 104 129.465 7.608 -1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 104 129.656 5.320 -2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 104 129.912 5.310 -0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 104 128.358 4.766 -1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 104 128.087 6.976 -3.642 1.00 0.00 H new ATOM 0 HD22 LEU A 104 126.793 6.418 -2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 104 127.228 8.143 -2.610 1.00 0.00 H new ATOM 1188 N TYR A 105 125.850 8.989 1.349 1.00 0.00 N ATOM 1189 CA TYR A 105 125.046 9.210 2.587 1.00 0.00 C ATOM 1190 C TYR A 105 124.057 8.057 2.772 1.00 0.00 C ATOM 1191 O TYR A 105 123.417 7.623 1.832 1.00 0.00 O ATOM 1192 CB TYR A 105 124.307 10.527 2.355 1.00 0.00 C ATOM 1193 CG TYR A 105 125.293 11.670 2.382 1.00 0.00 C ATOM 1194 CD1 TYR A 105 125.583 12.317 3.589 1.00 0.00 C ATOM 1195 CD2 TYR A 105 125.919 12.082 1.200 1.00 0.00 C ATOM 1196 CE1 TYR A 105 126.498 13.376 3.615 1.00 0.00 C ATOM 1197 CE2 TYR A 105 126.834 13.142 1.225 1.00 0.00 C ATOM 1198 CZ TYR A 105 127.124 13.788 2.431 1.00 0.00 C ATOM 1199 OH TYR A 105 128.026 14.833 2.456 1.00 0.00 O ATOM 0 H TYR A 105 125.311 8.965 0.483 1.00 0.00 H new ATOM 0 HA TYR A 105 125.663 9.251 3.485 1.00 0.00 H new ATOM 0 HB2 TYR A 105 123.790 10.502 1.396 1.00 0.00 H new ATOM 0 HB3 TYR A 105 123.547 10.670 3.123 1.00 0.00 H new ATOM 0 HD1 TYR A 105 125.100 11.999 4.501 1.00 0.00 H new ATOM 0 HD2 TYR A 105 125.696 11.583 0.269 1.00 0.00 H new ATOM 0 HE1 TYR A 105 126.721 13.875 4.546 1.00 0.00 H new ATOM 0 HE2 TYR A 105 127.316 13.461 0.313 1.00 0.00 H new ATOM 0 HH TYR A 105 128.369 14.991 1.552 1.00 0.00 H new ATOM 1209 N LEU A 106 123.937 7.553 3.974 1.00 0.00 N ATOM 1210 CA LEU A 106 122.997 6.420 4.225 1.00 0.00 C ATOM 1211 C LEU A 106 121.858 6.863 5.146 1.00 0.00 C ATOM 1212 O LEU A 106 122.082 7.472 6.175 1.00 0.00 O ATOM 1213 CB LEU A 106 123.850 5.348 4.905 1.00 0.00 C ATOM 1214 CG LEU A 106 123.040 4.057 5.038 1.00 0.00 C ATOM 1215 CD1 LEU A 106 123.982 2.854 4.967 1.00 0.00 C ATOM 1216 CD2 LEU A 106 122.311 4.052 6.384 1.00 0.00 C ATOM 0 H LEU A 106 124.450 7.878 4.793 1.00 0.00 H new ATOM 0 HA LEU A 106 122.534 6.057 3.307 1.00 0.00 H new ATOM 0 HB2 LEU A 106 124.753 5.164 4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 106 124.169 5.692 5.889 1.00 0.00 H new ATOM 0 HG LEU A 106 122.313 3.998 4.228 1.00 0.00 H new ATOM 0 HD11 LEU A 106 123.405 1.934 5.062 1.00 0.00 H new ATOM 0 HD12 LEU A 106 124.505 2.857 4.011 1.00 0.00 H new ATOM 0 HD13 LEU A 106 124.708 2.912 5.778 1.00 0.00 H new ATOM 0 HD21 LEU A 106 121.733 3.133 6.481 1.00 0.00 H new ATOM 0 HD22 LEU A 106 123.040 4.110 7.193 1.00 0.00 H new ATOM 0 HD23 LEU A 106 121.641 4.910 6.438 1.00 0.00 H new ATOM 1228 N VAL A 107 120.639 6.556 4.782 1.00 0.00 N ATOM 1229 CA VAL A 107 119.476 6.951 5.633 1.00 0.00 C ATOM 1230 C VAL A 107 119.139 5.815 6.604 1.00 0.00 C ATOM 1231 O VAL A 107 118.830 4.712 6.197 1.00 0.00 O ATOM 1232 CB VAL A 107 118.320 7.184 4.653 1.00 0.00 C ATOM 1233 CG1 VAL A 107 117.072 7.618 5.424 1.00 0.00 C ATOM 1234 CG2 VAL A 107 118.702 8.282 3.655 1.00 0.00 C ATOM 0 H VAL A 107 120.399 6.048 3.931 1.00 0.00 H new ATOM 0 HA VAL A 107 119.679 7.839 6.231 1.00 0.00 H new ATOM 0 HB VAL A 107 118.115 6.258 4.116 1.00 0.00 H new ATOM 0 HG11 VAL A 107 116.252 7.783 4.725 1.00 0.00 H new ATOM 0 HG12 VAL A 107 116.793 6.839 6.133 1.00 0.00 H new ATOM 0 HG13 VAL A 107 117.281 8.542 5.963 1.00 0.00 H new ATOM 0 HG21 VAL A 107 117.878 8.445 2.960 1.00 0.00 H new ATOM 0 HG22 VAL A 107 118.911 9.206 4.193 1.00 0.00 H new ATOM 0 HG23 VAL A 107 119.589 7.977 3.100 1.00 0.00 H new ATOM 1244 N THR A 108 119.205 6.079 7.884 1.00 0.00 N ATOM 1245 CA THR A 108 118.897 5.017 8.889 1.00 0.00 C ATOM 1246 C THR A 108 117.466 5.173 9.408 1.00 0.00 C ATOM 1247 O THR A 108 116.859 6.220 9.282 1.00 0.00 O ATOM 1248 CB THR A 108 119.904 5.236 10.021 1.00 0.00 C ATOM 1249 OG1 THR A 108 121.181 5.527 9.468 1.00 0.00 O ATOM 1250 CG2 THR A 108 119.994 3.972 10.877 1.00 0.00 C ATOM 0 H THR A 108 119.459 6.985 8.277 1.00 0.00 H new ATOM 0 HA THR A 108 118.972 4.016 8.464 1.00 0.00 H new ATOM 0 HB THR A 108 119.577 6.071 10.641 1.00 0.00 H new ATOM 0 HG1 THR A 108 121.435 6.445 9.698 1.00 0.00 H new ATOM 0 HG21 THR A 108 120.711 4.129 11.683 1.00 0.00 H new ATOM 0 HG22 THR A 108 119.015 3.749 11.301 1.00 0.00 H new ATOM 0 HG23 THR A 108 120.320 3.136 10.258 1.00 0.00 H new ATOM 1258 N ARG A 109 116.926 4.134 9.993 1.00 0.00 N ATOM 1259 CA ARG A 109 115.531 4.207 10.529 1.00 0.00 C ATOM 1260 C ARG A 109 115.429 5.295 11.604 1.00 0.00 C ATOM 1261 O ARG A 109 114.366 5.830 11.858 1.00 0.00 O ATOM 1262 CB ARG A 109 115.257 2.827 11.135 1.00 0.00 C ATOM 1263 CG ARG A 109 113.759 2.682 11.415 1.00 0.00 C ATOM 1264 CD ARG A 109 113.478 1.296 12.007 1.00 0.00 C ATOM 1265 NE ARG A 109 113.321 1.518 13.480 1.00 0.00 N ATOM 1266 CZ ARG A 109 112.906 0.553 14.275 1.00 0.00 C ATOM 1267 NH1 ARG A 109 112.804 -0.687 13.854 1.00 0.00 N ATOM 1268 NH2 ARG A 109 112.592 0.835 15.510 1.00 0.00 N ATOM 0 H ARG A 109 117.392 3.236 10.123 1.00 0.00 H new ATOM 0 HA ARG A 109 114.809 4.459 9.752 1.00 0.00 H new ATOM 0 HB2 ARG A 109 115.587 2.045 10.451 1.00 0.00 H new ATOM 0 HB3 ARG A 109 115.824 2.704 12.058 1.00 0.00 H new ATOM 0 HG2 ARG A 109 113.432 3.457 12.107 1.00 0.00 H new ATOM 0 HG3 ARG A 109 113.192 2.817 10.494 1.00 0.00 H new ATOM 0 HD2 ARG A 109 112.576 0.860 11.577 1.00 0.00 H new ATOM 0 HD3 ARG A 109 114.296 0.606 11.798 1.00 0.00 H new ATOM 0 HE ARG A 109 113.539 2.433 13.875 1.00 0.00 H new ATOM 0 HH11 ARG A 109 113.049 -0.921 12.892 1.00 0.00 H new ATOM 0 HH12 ARG A 109 112.480 -1.416 14.489 1.00 0.00 H new ATOM 0 HH21 ARG A 109 112.669 1.794 15.850 1.00 0.00 H new ATOM 0 HH22 ARG A 109 112.269 0.097 16.135 1.00 0.00 H new ATOM 1282 N HIS A 110 116.528 5.624 12.242 1.00 0.00 N ATOM 1283 CA HIS A 110 116.506 6.673 13.306 1.00 0.00 C ATOM 1284 C HIS A 110 116.832 8.053 12.722 1.00 0.00 C ATOM 1285 O HIS A 110 117.336 8.920 13.411 1.00 0.00 O ATOM 1286 CB HIS A 110 117.590 6.250 14.298 1.00 0.00 C ATOM 1287 CG HIS A 110 117.007 5.305 15.311 1.00 0.00 C ATOM 1288 ND1 HIS A 110 116.655 4.003 14.991 1.00 0.00 N ATOM 1289 CD2 HIS A 110 116.710 5.456 16.643 1.00 0.00 C ATOM 1290 CE1 HIS A 110 116.173 3.427 16.107 1.00 0.00 C ATOM 1291 NE2 HIS A 110 116.184 4.270 17.144 1.00 0.00 N ATOM 0 H HIS A 110 117.443 5.207 12.069 1.00 0.00 H new ATOM 0 HA HIS A 110 115.524 6.756 13.772 1.00 0.00 H new ATOM 0 HB2 HIS A 110 118.413 5.769 13.769 1.00 0.00 H new ATOM 0 HB3 HIS A 110 118.001 7.127 14.798 1.00 0.00 H new ATOM 0 HD2 HIS A 110 116.862 6.359 17.215 1.00 0.00 H new ATOM 0 HE1 HIS A 110 115.820 2.408 16.159 1.00 0.00 H new ATOM 0 HE2 HIS A 110 115.873 4.084 18.098 1.00 0.00 H new ATOM 1299 N ALA A 111 116.554 8.267 11.456 1.00 0.00 N ATOM 1300 CA ALA A 111 116.849 9.594 10.816 1.00 0.00 C ATOM 1301 C ALA A 111 118.322 9.969 11.010 1.00 0.00 C ATOM 1302 O ALA A 111 118.667 11.132 11.113 1.00 0.00 O ATOM 1303 CB ALA A 111 115.938 10.605 11.522 1.00 0.00 C ATOM 0 H ALA A 111 116.133 7.576 10.834 1.00 0.00 H new ATOM 0 HA ALA A 111 116.668 9.572 9.741 1.00 0.00 H new ATOM 0 HB1 ALA A 111 116.102 11.598 11.103 1.00 0.00 H new ATOM 0 HB2 ALA A 111 114.896 10.318 11.378 1.00 0.00 H new ATOM 0 HB3 ALA A 111 116.167 10.619 12.588 1.00 0.00 H new ATOM 1309 N ASP A 112 119.188 8.989 11.056 1.00 0.00 N ATOM 1310 CA ASP A 112 120.642 9.273 11.238 1.00 0.00 C ATOM 1311 C ASP A 112 121.379 9.084 9.909 1.00 0.00 C ATOM 1312 O ASP A 112 121.233 8.072 9.250 1.00 0.00 O ATOM 1313 CB ASP A 112 121.120 8.249 12.268 1.00 0.00 C ATOM 1314 CG ASP A 112 122.576 8.536 12.637 1.00 0.00 C ATOM 1315 OD1 ASP A 112 122.881 9.685 12.914 1.00 0.00 O ATOM 1316 OD2 ASP A 112 123.362 7.603 12.635 1.00 0.00 O ATOM 0 H ASP A 112 118.949 8.001 10.975 1.00 0.00 H new ATOM 0 HA ASP A 112 120.829 10.295 11.567 1.00 0.00 H new ATOM 0 HB2 ASP A 112 120.493 8.293 13.158 1.00 0.00 H new ATOM 0 HB3 ASP A 112 121.028 7.241 11.864 1.00 0.00 H new ATOM 1321 N VAL A 113 122.161 10.054 9.511 1.00 0.00 N ATOM 1322 CA VAL A 113 122.906 9.939 8.221 1.00 0.00 C ATOM 1323 C VAL A 113 124.405 9.770 8.488 1.00 0.00 C ATOM 1324 O VAL A 113 125.017 10.569 9.170 1.00 0.00 O ATOM 1325 CB VAL A 113 122.630 11.255 7.483 1.00 0.00 C ATOM 1326 CG1 VAL A 113 123.350 11.250 6.131 1.00 0.00 C ATOM 1327 CG2 VAL A 113 121.124 11.406 7.250 1.00 0.00 C ATOM 0 H VAL A 113 122.316 10.922 10.024 1.00 0.00 H new ATOM 0 HA VAL A 113 122.591 9.074 7.637 1.00 0.00 H new ATOM 0 HB VAL A 113 122.994 12.087 8.087 1.00 0.00 H new ATOM 0 HG11 VAL A 113 123.152 12.186 5.610 1.00 0.00 H new ATOM 0 HG12 VAL A 113 124.423 11.144 6.291 1.00 0.00 H new ATOM 0 HG13 VAL A 113 122.988 10.416 5.529 1.00 0.00 H new ATOM 0 HG21 VAL A 113 120.929 12.341 6.726 1.00 0.00 H new ATOM 0 HG22 VAL A 113 120.763 10.571 6.649 1.00 0.00 H new ATOM 0 HG23 VAL A 113 120.606 11.413 8.209 1.00 0.00 H new ATOM 1337 N ILE A 114 124.994 8.732 7.950 1.00 0.00 N ATOM 1338 CA ILE A 114 126.453 8.499 8.160 1.00 0.00 C ATOM 1339 C ILE A 114 127.179 8.502 6.801 1.00 0.00 C ATOM 1340 O ILE A 114 126.700 7.905 5.858 1.00 0.00 O ATOM 1341 CB ILE A 114 126.542 7.119 8.824 1.00 0.00 C ATOM 1342 CG1 ILE A 114 125.805 7.148 10.167 1.00 0.00 C ATOM 1343 CG2 ILE A 114 128.010 6.753 9.065 1.00 0.00 C ATOM 1344 CD1 ILE A 114 125.354 5.733 10.534 1.00 0.00 C ATOM 0 H ILE A 114 124.525 8.034 7.373 1.00 0.00 H new ATOM 0 HA ILE A 114 126.919 9.270 8.773 1.00 0.00 H new ATOM 0 HB ILE A 114 126.085 6.378 8.169 1.00 0.00 H new ATOM 0 HG12 ILE A 114 126.458 7.545 10.944 1.00 0.00 H new ATOM 0 HG13 ILE A 114 124.942 7.811 10.106 1.00 0.00 H new ATOM 0 HG21 ILE A 114 128.068 5.772 9.537 1.00 0.00 H new ATOM 0 HG22 ILE A 114 128.540 6.730 8.113 1.00 0.00 H new ATOM 0 HG23 ILE A 114 128.468 7.497 9.717 1.00 0.00 H new ATOM 0 HD11 ILE A 114 124.830 5.755 11.489 1.00 0.00 H new ATOM 0 HD12 ILE A 114 124.685 5.352 9.762 1.00 0.00 H new ATOM 0 HD13 ILE A 114 126.225 5.082 10.613 1.00 0.00 H new ATOM 1356 N PRO A 115 128.310 9.176 6.730 1.00 0.00 N ATOM 1357 CA PRO A 115 129.066 9.233 5.455 1.00 0.00 C ATOM 1358 C PRO A 115 129.797 7.912 5.203 1.00 0.00 C ATOM 1359 O PRO A 115 130.415 7.355 6.092 1.00 0.00 O ATOM 1360 CB PRO A 115 130.062 10.366 5.673 1.00 0.00 C ATOM 1361 CG PRO A 115 130.248 10.448 7.155 1.00 0.00 C ATOM 1362 CD PRO A 115 128.985 9.935 7.799 1.00 0.00 C ATOM 0 HA PRO A 115 128.424 9.396 4.589 1.00 0.00 H new ATOM 0 HB2 PRO A 115 131.007 10.162 5.169 1.00 0.00 H new ATOM 0 HB3 PRO A 115 129.683 11.306 5.272 1.00 0.00 H new ATOM 0 HG2 PRO A 115 131.106 9.853 7.467 1.00 0.00 H new ATOM 0 HG3 PRO A 115 130.444 11.476 7.461 1.00 0.00 H new ATOM 0 HD2 PRO A 115 129.206 9.301 8.658 1.00 0.00 H new ATOM 0 HD3 PRO A 115 128.362 10.754 8.159 1.00 0.00 H new ATOM 1370 N VAL A 116 129.735 7.412 3.994 1.00 0.00 N ATOM 1371 CA VAL A 116 130.428 6.129 3.671 1.00 0.00 C ATOM 1372 C VAL A 116 131.277 6.308 2.408 1.00 0.00 C ATOM 1373 O VAL A 116 130.803 6.794 1.398 1.00 0.00 O ATOM 1374 CB VAL A 116 129.302 5.116 3.429 1.00 0.00 C ATOM 1375 CG1 VAL A 116 129.898 3.745 3.091 1.00 0.00 C ATOM 1376 CG2 VAL A 116 128.440 4.993 4.689 1.00 0.00 C ATOM 0 H VAL A 116 129.233 7.839 3.216 1.00 0.00 H new ATOM 0 HA VAL A 116 131.097 5.801 4.467 1.00 0.00 H new ATOM 0 HB VAL A 116 128.688 5.460 2.597 1.00 0.00 H new ATOM 0 HG11 VAL A 116 129.093 3.030 2.920 1.00 0.00 H new ATOM 0 HG12 VAL A 116 130.509 3.825 2.192 1.00 0.00 H new ATOM 0 HG13 VAL A 116 130.517 3.403 3.920 1.00 0.00 H new ATOM 0 HG21 VAL A 116 127.641 4.273 4.514 1.00 0.00 H new ATOM 0 HG22 VAL A 116 129.058 4.655 5.521 1.00 0.00 H new ATOM 0 HG23 VAL A 116 128.007 5.964 4.930 1.00 0.00 H new ATOM 1386 N ARG A 117 132.526 5.915 2.458 1.00 0.00 N ATOM 1387 CA ARG A 117 133.408 6.057 1.261 1.00 0.00 C ATOM 1388 C ARG A 117 133.145 4.917 0.274 1.00 0.00 C ATOM 1389 O ARG A 117 132.671 3.860 0.648 1.00 0.00 O ATOM 1390 CB ARG A 117 134.836 5.986 1.803 1.00 0.00 C ATOM 1391 CG ARG A 117 135.141 7.254 2.604 1.00 0.00 C ATOM 1392 CD ARG A 117 135.426 8.408 1.639 1.00 0.00 C ATOM 1393 NE ARG A 117 135.906 9.532 2.504 1.00 0.00 N ATOM 1394 CZ ARG A 117 136.626 10.520 2.007 1.00 0.00 C ATOM 1395 NH1 ARG A 117 136.875 10.611 0.722 1.00 0.00 N ATOM 1396 NH2 ARG A 117 137.097 11.431 2.814 1.00 0.00 N ATOM 0 H ARG A 117 132.972 5.502 3.277 1.00 0.00 H new ATOM 0 HA ARG A 117 133.228 6.988 0.724 1.00 0.00 H new ATOM 0 HB2 ARG A 117 134.953 5.106 2.436 1.00 0.00 H new ATOM 0 HB3 ARG A 117 135.544 5.883 0.981 1.00 0.00 H new ATOM 0 HG2 ARG A 117 134.297 7.503 3.247 1.00 0.00 H new ATOM 0 HG3 ARG A 117 136.000 7.089 3.255 1.00 0.00 H new ATOM 0 HD2 ARG A 117 136.179 8.129 0.902 1.00 0.00 H new ATOM 0 HD3 ARG A 117 134.530 8.691 1.087 1.00 0.00 H new ATOM 0 HE ARG A 117 135.672 9.534 3.497 1.00 0.00 H new ATOM 0 HH11 ARG A 117 136.509 9.907 0.081 1.00 0.00 H new ATOM 0 HH12 ARG A 117 137.435 11.385 0.365 1.00 0.00 H new ATOM 0 HH21 ARG A 117 136.907 11.374 3.814 1.00 0.00 H new ATOM 0 HH22 ARG A 117 137.655 12.201 2.444 1.00 0.00 H new ATOM 1410 N ARG A 118 133.446 5.128 -0.982 1.00 0.00 N ATOM 1411 CA ARG A 118 133.212 4.062 -2.002 1.00 0.00 C ATOM 1412 C ARG A 118 134.517 3.319 -2.301 1.00 0.00 C ATOM 1413 O ARG A 118 135.497 3.911 -2.716 1.00 0.00 O ATOM 1414 CB ARG A 118 132.724 4.808 -3.245 1.00 0.00 C ATOM 1415 CG ARG A 118 132.116 3.811 -4.233 1.00 0.00 C ATOM 1416 CD ARG A 118 131.816 4.521 -5.557 1.00 0.00 C ATOM 1417 NE ARG A 118 133.052 4.356 -6.385 1.00 0.00 N ATOM 1418 CZ ARG A 118 133.123 4.834 -7.611 1.00 0.00 C ATOM 1419 NH1 ARG A 118 132.060 5.298 -8.228 1.00 0.00 N ATOM 1420 NH2 ARG A 118 134.273 4.846 -8.226 1.00 0.00 N ATOM 0 H ARG A 118 133.844 5.994 -1.345 1.00 0.00 H new ATOM 0 HA ARG A 118 132.493 3.316 -1.663 1.00 0.00 H new ATOM 0 HB2 ARG A 118 131.983 5.557 -2.965 1.00 0.00 H new ATOM 0 HB3 ARG A 118 133.553 5.339 -3.712 1.00 0.00 H new ATOM 0 HG2 ARG A 118 132.805 2.983 -4.400 1.00 0.00 H new ATOM 0 HG3 ARG A 118 131.201 3.386 -3.820 1.00 0.00 H new ATOM 0 HD2 ARG A 118 130.950 4.081 -6.052 1.00 0.00 H new ATOM 0 HD3 ARG A 118 131.589 5.575 -5.395 1.00 0.00 H new ATOM 0 HE ARG A 118 133.855 3.864 -5.993 1.00 0.00 H new ATOM 0 HH11 ARG A 118 131.155 5.293 -7.758 1.00 0.00 H new ATOM 0 HH12 ARG A 118 132.140 5.663 -9.177 1.00 0.00 H new ATOM 0 HH21 ARG A 118 135.105 4.488 -7.758 1.00 0.00 H new ATOM 0 HH22 ARG A 118 134.340 5.214 -9.175 1.00 0.00 H new ATOM 1434 N ARG A 119 134.534 2.028 -2.093 1.00 0.00 N ATOM 1435 CA ARG A 119 135.770 1.236 -2.363 1.00 0.00 C ATOM 1436 C ARG A 119 135.503 0.164 -3.427 1.00 0.00 C ATOM 1437 O ARG A 119 136.186 -0.841 -3.488 1.00 0.00 O ATOM 1438 CB ARG A 119 136.125 0.586 -1.026 1.00 0.00 C ATOM 1439 CG ARG A 119 136.472 1.674 -0.008 1.00 0.00 C ATOM 1440 CD ARG A 119 137.378 1.085 1.073 1.00 0.00 C ATOM 1441 NE ARG A 119 138.753 1.131 0.490 1.00 0.00 N ATOM 1442 CZ ARG A 119 139.469 2.237 0.512 1.00 0.00 C ATOM 1443 NH1 ARG A 119 138.943 3.389 0.860 1.00 0.00 N ATOM 1444 NH2 ARG A 119 140.730 2.188 0.176 1.00 0.00 N ATOM 0 H ARG A 119 133.742 1.487 -1.747 1.00 0.00 H new ATOM 0 HA ARG A 119 136.579 1.860 -2.743 1.00 0.00 H new ATOM 0 HB2 ARG A 119 135.287 -0.011 -0.665 1.00 0.00 H new ATOM 0 HB3 ARG A 119 136.969 -0.092 -1.152 1.00 0.00 H new ATOM 0 HG2 ARG A 119 136.972 2.506 -0.504 1.00 0.00 H new ATOM 0 HG3 ARG A 119 135.562 2.071 0.441 1.00 0.00 H new ATOM 0 HD2 ARG A 119 137.320 1.664 1.995 1.00 0.00 H new ATOM 0 HD3 ARG A 119 137.087 0.064 1.319 1.00 0.00 H new ATOM 0 HE ARG A 119 139.145 0.290 0.067 1.00 0.00 H new ATOM 0 HH11 ARG A 119 137.959 3.442 1.121 1.00 0.00 H new ATOM 0 HH12 ARG A 119 139.519 4.231 0.869 1.00 0.00 H new ATOM 0 HH21 ARG A 119 141.150 1.300 -0.100 1.00 0.00 H new ATOM 0 HH22 ARG A 119 141.295 3.037 0.189 1.00 0.00 H new ATOM 1458 N GLY A 120 134.514 0.370 -4.262 1.00 0.00 N ATOM 1459 CA GLY A 120 134.199 -0.635 -5.321 1.00 0.00 C ATOM 1460 C GLY A 120 133.056 -0.117 -6.195 1.00 0.00 C ATOM 1461 O GLY A 120 132.579 0.988 -6.016 1.00 0.00 O ATOM 0 H GLY A 120 133.911 1.193 -4.255 1.00 0.00 H new ATOM 0 HA2 GLY A 120 135.082 -0.823 -5.932 1.00 0.00 H new ATOM 0 HA3 GLY A 120 133.920 -1.584 -4.864 1.00 0.00 H new ATOM 1465 N ASP A 121 132.613 -0.910 -7.139 1.00 0.00 N ATOM 1466 CA ASP A 121 131.496 -0.470 -8.031 1.00 0.00 C ATOM 1467 C ASP A 121 130.209 -0.285 -7.224 1.00 0.00 C ATOM 1468 O ASP A 121 129.457 0.645 -7.447 1.00 0.00 O ATOM 1469 CB ASP A 121 131.329 -1.597 -9.055 1.00 0.00 C ATOM 1470 CG ASP A 121 132.527 -1.606 -10.007 1.00 0.00 C ATOM 1471 OD1 ASP A 121 133.036 -0.536 -10.299 1.00 0.00 O ATOM 1472 OD2 ASP A 121 132.914 -2.683 -10.428 1.00 0.00 O ATOM 0 H ASP A 121 132.977 -1.843 -7.331 1.00 0.00 H new ATOM 0 HA ASP A 121 131.710 0.486 -8.510 1.00 0.00 H new ATOM 0 HB2 ASP A 121 131.250 -2.557 -8.545 1.00 0.00 H new ATOM 0 HB3 ASP A 121 130.406 -1.458 -9.617 1.00 0.00 H new ATOM 1477 N SER A 122 129.951 -1.165 -6.289 1.00 0.00 N ATOM 1478 CA SER A 122 128.710 -1.046 -5.464 1.00 0.00 C ATOM 1479 C SER A 122 129.020 -1.309 -3.986 1.00 0.00 C ATOM 1480 O SER A 122 128.152 -1.693 -3.225 1.00 0.00 O ATOM 1481 CB SER A 122 127.768 -2.117 -6.011 1.00 0.00 C ATOM 1482 OG SER A 122 127.554 -1.889 -7.399 1.00 0.00 O ATOM 0 H SER A 122 130.547 -1.961 -6.061 1.00 0.00 H new ATOM 0 HA SER A 122 128.274 -0.048 -5.521 1.00 0.00 H new ATOM 0 HB2 SER A 122 128.195 -3.108 -5.855 1.00 0.00 H new ATOM 0 HB3 SER A 122 126.819 -2.091 -5.476 1.00 0.00 H new ATOM 0 HG SER A 122 127.086 -2.657 -7.788 1.00 0.00 H new ATOM 1488 N ARG A 123 130.247 -1.103 -3.575 1.00 0.00 N ATOM 1489 CA ARG A 123 130.613 -1.341 -2.146 1.00 0.00 C ATOM 1490 C ARG A 123 131.250 -0.088 -1.543 1.00 0.00 C ATOM 1491 O ARG A 123 131.879 0.693 -2.233 1.00 0.00 O ATOM 1492 CB ARG A 123 131.622 -2.489 -2.177 1.00 0.00 C ATOM 1493 CG ARG A 123 131.616 -3.212 -0.824 1.00 0.00 C ATOM 1494 CD ARG A 123 133.053 -3.533 -0.408 1.00 0.00 C ATOM 1495 NE ARG A 123 132.960 -3.985 1.017 1.00 0.00 N ATOM 1496 CZ ARG A 123 134.043 -4.200 1.738 1.00 0.00 C ATOM 1497 NH1 ARG A 123 135.232 -3.842 1.312 1.00 0.00 N ATOM 1498 NH2 ARG A 123 133.929 -4.779 2.901 1.00 0.00 N ATOM 0 H ARG A 123 131.011 -0.780 -4.169 1.00 0.00 H new ATOM 0 HA ARG A 123 129.742 -1.579 -1.536 1.00 0.00 H new ATOM 0 HB2 ARG A 123 131.370 -3.187 -2.975 1.00 0.00 H new ATOM 0 HB3 ARG A 123 132.619 -2.105 -2.392 1.00 0.00 H new ATOM 0 HG2 ARG A 123 131.139 -2.588 -0.069 1.00 0.00 H new ATOM 0 HG3 ARG A 123 131.033 -4.130 -0.893 1.00 0.00 H new ATOM 0 HD2 ARG A 123 133.481 -4.311 -1.040 1.00 0.00 H new ATOM 0 HD3 ARG A 123 133.695 -2.657 -0.502 1.00 0.00 H new ATOM 0 HE ARG A 123 132.042 -4.129 1.437 1.00 0.00 H new ATOM 0 HH11 ARG A 123 135.333 -3.387 0.405 1.00 0.00 H new ATOM 0 HH12 ARG A 123 136.055 -4.019 1.888 1.00 0.00 H new ATOM 0 HH21 ARG A 123 133.010 -5.060 3.243 1.00 0.00 H new ATOM 0 HH22 ARG A 123 134.759 -4.951 3.469 1.00 0.00 H new ATOM 1512 N GLY A 124 131.091 0.106 -0.258 1.00 0.00 N ATOM 1513 CA GLY A 124 131.684 1.305 0.404 1.00 0.00 C ATOM 1514 C GLY A 124 132.160 0.929 1.808 1.00 0.00 C ATOM 1515 O GLY A 124 131.857 -0.138 2.307 1.00 0.00 O ATOM 0 H GLY A 124 130.574 -0.517 0.362 1.00 0.00 H new ATOM 0 HA2 GLY A 124 132.519 1.683 -0.186 1.00 0.00 H new ATOM 0 HA3 GLY A 124 130.946 2.105 0.461 1.00 0.00 H new ATOM 1519 N SER A 125 132.903 1.797 2.446 1.00 0.00 N ATOM 1520 CA SER A 125 133.403 1.496 3.821 1.00 0.00 C ATOM 1521 C SER A 125 132.735 2.422 4.842 1.00 0.00 C ATOM 1522 O SER A 125 132.338 3.527 4.521 1.00 0.00 O ATOM 1523 CB SER A 125 134.907 1.757 3.763 1.00 0.00 C ATOM 1524 OG SER A 125 135.135 3.118 3.424 1.00 0.00 O ATOM 0 H SER A 125 133.185 2.703 2.073 1.00 0.00 H new ATOM 0 HA SER A 125 133.179 0.474 4.126 1.00 0.00 H new ATOM 0 HB2 SER A 125 135.365 1.528 4.725 1.00 0.00 H new ATOM 0 HB3 SER A 125 135.373 1.104 3.025 1.00 0.00 H new ATOM 0 HG SER A 125 135.676 3.166 2.608 1.00 0.00 H new ATOM 1530 N LEU A 126 132.609 1.978 6.067 1.00 0.00 N ATOM 1531 CA LEU A 126 131.964 2.825 7.116 1.00 0.00 C ATOM 1532 C LEU A 126 133.033 3.493 7.987 1.00 0.00 C ATOM 1533 O LEU A 126 133.836 2.830 8.616 1.00 0.00 O ATOM 1534 CB LEU A 126 131.123 1.853 7.946 1.00 0.00 C ATOM 1535 CG LEU A 126 130.270 2.636 8.946 1.00 0.00 C ATOM 1536 CD1 LEU A 126 129.248 3.488 8.190 1.00 0.00 C ATOM 1537 CD2 LEU A 126 129.536 1.656 9.864 1.00 0.00 C ATOM 0 H LEU A 126 132.926 1.063 6.387 1.00 0.00 H new ATOM 0 HA LEU A 126 131.359 3.625 6.689 1.00 0.00 H new ATOM 0 HB2 LEU A 126 130.483 1.261 7.292 1.00 0.00 H new ATOM 0 HB3 LEU A 126 131.772 1.155 8.475 1.00 0.00 H new ATOM 0 HG LEU A 126 130.912 3.284 9.542 1.00 0.00 H new ATOM 0 HD11 LEU A 126 128.641 4.046 8.903 1.00 0.00 H new ATOM 0 HD12 LEU A 126 129.770 4.185 7.534 1.00 0.00 H new ATOM 0 HD13 LEU A 126 128.605 2.841 7.594 1.00 0.00 H new ATOM 0 HD21 LEU A 126 128.928 2.212 10.577 1.00 0.00 H new ATOM 0 HD22 LEU A 126 128.894 1.009 9.266 1.00 0.00 H new ATOM 0 HD23 LEU A 126 130.263 1.048 10.403 1.00 0.00 H new ATOM 1549 N LEU A 127 133.050 4.802 8.022 1.00 0.00 N ATOM 1550 CA LEU A 127 134.067 5.524 8.848 1.00 0.00 C ATOM 1551 C LEU A 127 133.935 5.141 10.325 1.00 0.00 C ATOM 1552 O LEU A 127 134.913 4.846 10.987 1.00 0.00 O ATOM 1553 CB LEU A 127 133.767 7.008 8.654 1.00 0.00 C ATOM 1554 CG LEU A 127 134.478 7.507 7.393 1.00 0.00 C ATOM 1555 CD1 LEU A 127 133.595 8.528 6.685 1.00 0.00 C ATOM 1556 CD2 LEU A 127 135.806 8.162 7.781 1.00 0.00 C ATOM 0 H LEU A 127 132.402 5.403 7.513 1.00 0.00 H new ATOM 0 HA LEU A 127 135.084 5.271 8.547 1.00 0.00 H new ATOM 0 HB2 LEU A 127 132.692 7.165 8.566 1.00 0.00 H new ATOM 0 HB3 LEU A 127 134.102 7.575 9.523 1.00 0.00 H new ATOM 0 HG LEU A 127 134.670 6.666 6.726 1.00 0.00 H new ATOM 0 HD11 LEU A 127 134.099 8.885 5.787 1.00 0.00 H new ATOM 0 HD12 LEU A 127 132.649 8.062 6.409 1.00 0.00 H new ATOM 0 HD13 LEU A 127 133.404 9.369 7.352 1.00 0.00 H new ATOM 0 HD21 LEU A 127 136.312 8.517 6.884 1.00 0.00 H new ATOM 0 HD22 LEU A 127 135.616 9.003 8.447 1.00 0.00 H new ATOM 0 HD23 LEU A 127 136.437 7.432 8.289 1.00 0.00 H new ATOM 1568 N SER A 128 132.733 5.148 10.842 1.00 0.00 N ATOM 1569 CA SER A 128 132.527 4.789 12.278 1.00 0.00 C ATOM 1570 C SER A 128 132.092 3.318 12.400 1.00 0.00 C ATOM 1571 O SER A 128 131.001 2.973 11.992 1.00 0.00 O ATOM 1572 CB SER A 128 131.410 5.716 12.755 1.00 0.00 C ATOM 1573 OG SER A 128 131.174 5.491 14.140 1.00 0.00 O ATOM 0 H SER A 128 131.883 5.387 10.331 1.00 0.00 H new ATOM 0 HA SER A 128 133.436 4.902 12.869 1.00 0.00 H new ATOM 0 HB2 SER A 128 131.687 6.756 12.586 1.00 0.00 H new ATOM 0 HB3 SER A 128 130.500 5.532 12.184 1.00 0.00 H new ATOM 0 HG SER A 128 130.459 6.085 14.451 1.00 0.00 H new ATOM 1579 N PRO A 129 132.952 2.485 12.954 1.00 0.00 N ATOM 1580 CA PRO A 129 132.608 1.051 13.107 1.00 0.00 C ATOM 1581 C PRO A 129 131.582 0.863 14.227 1.00 0.00 C ATOM 1582 O PRO A 129 131.870 1.086 15.388 1.00 0.00 O ATOM 1583 CB PRO A 129 133.935 0.393 13.470 1.00 0.00 C ATOM 1584 CG PRO A 129 134.753 1.480 14.088 1.00 0.00 C ATOM 1585 CD PRO A 129 134.294 2.781 13.483 1.00 0.00 C ATOM 0 HA PRO A 129 132.161 0.623 12.210 1.00 0.00 H new ATOM 0 HB2 PRO A 129 133.788 -0.433 14.165 1.00 0.00 H new ATOM 0 HB3 PRO A 129 134.426 -0.017 12.587 1.00 0.00 H new ATOM 0 HG2 PRO A 129 134.623 1.492 15.170 1.00 0.00 H new ATOM 0 HG3 PRO A 129 135.814 1.320 13.896 1.00 0.00 H new ATOM 0 HD2 PRO A 129 134.261 3.576 14.228 1.00 0.00 H new ATOM 0 HD3 PRO A 129 134.968 3.112 12.693 1.00 0.00 H new ATOM 1593 N ARG A 130 130.388 0.452 13.884 1.00 0.00 N ATOM 1594 CA ARG A 130 129.334 0.243 14.921 1.00 0.00 C ATOM 1595 C ARG A 130 128.861 -1.219 14.907 1.00 0.00 C ATOM 1596 O ARG A 130 129.097 -1.928 13.949 1.00 0.00 O ATOM 1597 CB ARG A 130 128.193 1.182 14.524 1.00 0.00 C ATOM 1598 CG ARG A 130 128.662 2.634 14.643 1.00 0.00 C ATOM 1599 CD ARG A 130 127.556 3.573 14.152 1.00 0.00 C ATOM 1600 NE ARG A 130 127.607 4.758 15.067 1.00 0.00 N ATOM 1601 CZ ARG A 130 126.786 5.777 14.911 1.00 0.00 C ATOM 1602 NH1 ARG A 130 126.031 5.892 13.843 1.00 0.00 N ATOM 1603 NH2 ARG A 130 126.725 6.695 15.837 1.00 0.00 N ATOM 0 H ARG A 130 130.097 0.252 12.927 1.00 0.00 H new ATOM 0 HA ARG A 130 129.697 0.450 15.928 1.00 0.00 H new ATOM 0 HB2 ARG A 130 127.875 0.974 13.502 1.00 0.00 H new ATOM 0 HB3 ARG A 130 127.329 1.014 15.167 1.00 0.00 H new ATOM 0 HG2 ARG A 130 128.913 2.862 15.679 1.00 0.00 H new ATOM 0 HG3 ARG A 130 129.568 2.784 14.055 1.00 0.00 H new ATOM 0 HD2 ARG A 130 127.722 3.869 13.116 1.00 0.00 H new ATOM 0 HD3 ARG A 130 126.581 3.087 14.192 1.00 0.00 H new ATOM 0 HE ARG A 130 128.290 4.777 15.825 1.00 0.00 H new ATOM 0 HH11 ARG A 130 126.072 5.183 13.111 1.00 0.00 H new ATOM 0 HH12 ARG A 130 125.403 6.690 13.746 1.00 0.00 H new ATOM 0 HH21 ARG A 130 127.309 6.619 16.670 1.00 0.00 H new ATOM 0 HH22 ARG A 130 126.093 7.488 15.728 1.00 0.00 H new ATOM 1617 N PRO A 131 128.207 -1.634 15.972 1.00 0.00 N ATOM 1618 CA PRO A 131 127.713 -3.033 16.052 1.00 0.00 C ATOM 1619 C PRO A 131 126.558 -3.249 15.070 1.00 0.00 C ATOM 1620 O PRO A 131 125.818 -2.336 14.760 1.00 0.00 O ATOM 1621 CB PRO A 131 127.236 -3.167 17.497 1.00 0.00 C ATOM 1622 CG PRO A 131 126.921 -1.771 17.927 1.00 0.00 C ATOM 1623 CD PRO A 131 127.865 -0.866 17.182 1.00 0.00 C ATOM 0 HA PRO A 131 128.472 -3.771 15.792 1.00 0.00 H new ATOM 0 HB2 PRO A 131 126.358 -3.809 17.566 1.00 0.00 H new ATOM 0 HB3 PRO A 131 128.006 -3.611 18.128 1.00 0.00 H new ATOM 0 HG2 PRO A 131 125.885 -1.521 17.700 1.00 0.00 H new ATOM 0 HG3 PRO A 131 127.047 -1.660 19.004 1.00 0.00 H new ATOM 0 HD2 PRO A 131 127.394 0.085 16.932 1.00 0.00 H new ATOM 0 HD3 PRO A 131 128.751 -0.637 17.774 1.00 0.00 H new ATOM 1631 N VAL A 132 126.402 -4.455 14.577 1.00 0.00 N ATOM 1632 CA VAL A 132 125.294 -4.744 13.609 1.00 0.00 C ATOM 1633 C VAL A 132 123.941 -4.354 14.223 1.00 0.00 C ATOM 1634 O VAL A 132 123.038 -3.932 13.528 1.00 0.00 O ATOM 1635 CB VAL A 132 125.362 -6.259 13.359 1.00 0.00 C ATOM 1636 CG1 VAL A 132 124.228 -6.696 12.417 1.00 0.00 C ATOM 1637 CG2 VAL A 132 126.711 -6.613 12.725 1.00 0.00 C ATOM 0 H VAL A 132 126.995 -5.253 14.803 1.00 0.00 H new ATOM 0 HA VAL A 132 125.396 -4.178 12.683 1.00 0.00 H new ATOM 0 HB VAL A 132 125.253 -6.778 14.311 1.00 0.00 H new ATOM 0 HG11 VAL A 132 124.289 -7.771 12.249 1.00 0.00 H new ATOM 0 HG12 VAL A 132 123.266 -6.453 12.868 1.00 0.00 H new ATOM 0 HG13 VAL A 132 124.324 -6.174 11.465 1.00 0.00 H new ATOM 0 HG21 VAL A 132 126.759 -7.687 12.548 1.00 0.00 H new ATOM 0 HG22 VAL A 132 126.818 -6.084 11.778 1.00 0.00 H new ATOM 0 HG23 VAL A 132 127.517 -6.320 13.397 1.00 0.00 H new ATOM 1647 N SER A 133 123.802 -4.497 15.516 1.00 0.00 N ATOM 1648 CA SER A 133 122.508 -4.144 16.185 1.00 0.00 C ATOM 1649 C SER A 133 122.152 -2.674 15.938 1.00 0.00 C ATOM 1650 O SER A 133 121.030 -2.349 15.595 1.00 0.00 O ATOM 1651 CB SER A 133 122.751 -4.382 17.674 1.00 0.00 C ATOM 1652 OG SER A 133 122.592 -5.765 17.962 1.00 0.00 O ATOM 0 H SER A 133 124.529 -4.844 16.141 1.00 0.00 H new ATOM 0 HA SER A 133 121.680 -4.739 15.800 1.00 0.00 H new ATOM 0 HB2 SER A 133 123.754 -4.055 17.947 1.00 0.00 H new ATOM 0 HB3 SER A 133 122.051 -3.793 18.267 1.00 0.00 H new ATOM 0 HG SER A 133 122.749 -5.921 18.917 1.00 0.00 H new ATOM 1658 N TYR A 134 123.099 -1.788 16.109 1.00 0.00 N ATOM 1659 CA TYR A 134 122.823 -0.333 15.885 1.00 0.00 C ATOM 1660 C TYR A 134 122.374 -0.096 14.439 1.00 0.00 C ATOM 1661 O TYR A 134 121.473 0.677 14.175 1.00 0.00 O ATOM 1662 CB TYR A 134 124.158 0.374 16.158 1.00 0.00 C ATOM 1663 CG TYR A 134 124.008 1.862 15.939 1.00 0.00 C ATOM 1664 CD1 TYR A 134 123.633 2.698 16.998 1.00 0.00 C ATOM 1665 CD2 TYR A 134 124.241 2.398 14.671 1.00 0.00 C ATOM 1666 CE1 TYR A 134 123.493 4.075 16.783 1.00 0.00 C ATOM 1667 CE2 TYR A 134 124.101 3.773 14.455 1.00 0.00 C ATOM 1668 CZ TYR A 134 123.727 4.612 15.511 1.00 0.00 C ATOM 1669 OH TYR A 134 123.589 5.969 15.299 1.00 0.00 O ATOM 0 H TYR A 134 124.053 -2.007 16.394 1.00 0.00 H new ATOM 0 HA TYR A 134 122.027 0.040 16.530 1.00 0.00 H new ATOM 0 HB2 TYR A 134 124.480 0.179 17.181 1.00 0.00 H new ATOM 0 HB3 TYR A 134 124.931 -0.023 15.500 1.00 0.00 H new ATOM 0 HD1 TYR A 134 123.452 2.282 17.978 1.00 0.00 H new ATOM 0 HD2 TYR A 134 124.530 1.750 13.856 1.00 0.00 H new ATOM 0 HE1 TYR A 134 123.205 4.722 17.598 1.00 0.00 H new ATOM 0 HE2 TYR A 134 124.281 4.187 13.474 1.00 0.00 H new ATOM 0 HH TYR A 134 123.532 6.146 14.337 1.00 0.00 H new ATOM 1679 N LEU A 135 123.014 -0.749 13.508 1.00 0.00 N ATOM 1680 CA LEU A 135 122.653 -0.568 12.071 1.00 0.00 C ATOM 1681 C LEU A 135 121.487 -1.482 11.665 1.00 0.00 C ATOM 1682 O LEU A 135 120.946 -1.352 10.582 1.00 0.00 O ATOM 1683 CB LEU A 135 123.927 -0.944 11.310 1.00 0.00 C ATOM 1684 CG LEU A 135 123.718 -0.754 9.803 1.00 0.00 C ATOM 1685 CD1 LEU A 135 123.417 0.716 9.499 1.00 0.00 C ATOM 1686 CD2 LEU A 135 124.991 -1.169 9.063 1.00 0.00 C ATOM 0 H LEU A 135 123.776 -1.404 13.681 1.00 0.00 H new ATOM 0 HA LEU A 135 122.320 0.448 11.858 1.00 0.00 H new ATOM 0 HB2 LEU A 135 124.758 -0.326 11.650 1.00 0.00 H new ATOM 0 HB3 LEU A 135 124.193 -1.980 11.520 1.00 0.00 H new ATOM 0 HG LEU A 135 122.879 -1.368 9.476 1.00 0.00 H new ATOM 0 HD11 LEU A 135 123.270 0.843 8.426 1.00 0.00 H new ATOM 0 HD12 LEU A 135 122.513 1.019 10.028 1.00 0.00 H new ATOM 0 HD13 LEU A 135 124.253 1.334 9.826 1.00 0.00 H new ATOM 0 HD21 LEU A 135 124.848 -1.036 7.991 1.00 0.00 H new ATOM 0 HD22 LEU A 135 125.824 -0.551 9.398 1.00 0.00 H new ATOM 0 HD23 LEU A 135 125.209 -2.216 9.273 1.00 0.00 H new ATOM 1698 N LYS A 136 121.098 -2.409 12.511 1.00 0.00 N ATOM 1699 CA LYS A 136 119.973 -3.326 12.148 1.00 0.00 C ATOM 1700 C LYS A 136 118.649 -2.565 12.098 1.00 0.00 C ATOM 1701 O LYS A 136 118.409 -1.659 12.875 1.00 0.00 O ATOM 1702 CB LYS A 136 119.937 -4.395 13.241 1.00 0.00 C ATOM 1703 CG LYS A 136 119.637 -5.752 12.604 1.00 0.00 C ATOM 1704 CD LYS A 136 119.671 -6.842 13.679 1.00 0.00 C ATOM 1705 CE LYS A 136 119.386 -8.201 13.037 1.00 0.00 C ATOM 1706 NZ LYS A 136 119.428 -9.174 14.163 1.00 0.00 N ATOM 0 H LYS A 136 121.509 -2.568 13.431 1.00 0.00 H new ATOM 0 HA LYS A 136 120.120 -3.766 11.161 1.00 0.00 H new ATOM 0 HB2 LYS A 136 120.892 -4.429 13.766 1.00 0.00 H new ATOM 0 HB3 LYS A 136 119.175 -4.150 13.981 1.00 0.00 H new ATOM 0 HG2 LYS A 136 118.659 -5.731 12.123 1.00 0.00 H new ATOM 0 HG3 LYS A 136 120.369 -5.970 11.827 1.00 0.00 H new ATOM 0 HD2 LYS A 136 120.645 -6.856 14.167 1.00 0.00 H new ATOM 0 HD3 LYS A 136 118.931 -6.630 14.451 1.00 0.00 H new ATOM 0 HE2 LYS A 136 118.414 -8.209 12.544 1.00 0.00 H new ATOM 0 HE3 LYS A 136 120.130 -8.443 12.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 119.241 -10.131 13.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 120.367 -9.149 14.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 118.705 -8.922 14.866 1.00 0.00 H new ATOM 1720 N GLY A 137 117.790 -2.930 11.181 1.00 0.00 N ATOM 1721 CA GLY A 137 116.473 -2.238 11.059 1.00 0.00 C ATOM 1722 C GLY A 137 116.544 -1.126 10.000 1.00 0.00 C ATOM 1723 O GLY A 137 115.554 -0.478 9.716 1.00 0.00 O ATOM 0 H GLY A 137 117.946 -3.681 10.509 1.00 0.00 H new ATOM 0 HA2 GLY A 137 115.701 -2.958 10.787 1.00 0.00 H new ATOM 0 HA3 GLY A 137 116.188 -1.814 12.022 1.00 0.00 H new ATOM 1727 N SER A 138 117.696 -0.901 9.409 1.00 0.00 N ATOM 1728 CA SER A 138 117.810 0.164 8.367 1.00 0.00 C ATOM 1729 C SER A 138 117.824 -0.450 6.958 1.00 0.00 C ATOM 1730 O SER A 138 118.100 0.229 5.987 1.00 0.00 O ATOM 1731 CB SER A 138 119.138 0.861 8.659 1.00 0.00 C ATOM 1732 OG SER A 138 120.208 -0.039 8.399 1.00 0.00 O ATOM 0 H SER A 138 118.558 -1.409 9.605 1.00 0.00 H new ATOM 0 HA SER A 138 116.967 0.854 8.397 1.00 0.00 H new ATOM 0 HB2 SER A 138 119.238 1.752 8.039 1.00 0.00 H new ATOM 0 HB3 SER A 138 119.169 1.190 9.698 1.00 0.00 H new ATOM 0 HG SER A 138 120.316 -0.647 9.160 1.00 0.00 H new ATOM 1738 N SER A 139 117.530 -1.725 6.837 1.00 0.00 N ATOM 1739 CA SER A 139 117.529 -2.374 5.488 1.00 0.00 C ATOM 1740 C SER A 139 116.513 -1.687 4.572 1.00 0.00 C ATOM 1741 O SER A 139 115.435 -1.314 4.995 1.00 0.00 O ATOM 1742 CB SER A 139 117.123 -3.827 5.742 1.00 0.00 C ATOM 1743 OG SER A 139 117.868 -4.682 4.886 1.00 0.00 O ATOM 0 H SER A 139 117.291 -2.342 7.614 1.00 0.00 H new ATOM 0 HA SER A 139 118.500 -2.303 4.998 1.00 0.00 H new ATOM 0 HB2 SER A 139 117.304 -4.090 6.784 1.00 0.00 H new ATOM 0 HB3 SER A 139 116.056 -3.955 5.562 1.00 0.00 H new ATOM 0 HG SER A 139 118.268 -5.405 5.413 1.00 0.00 H new ATOM 1749 N GLY A 140 116.855 -1.513 3.322 1.00 0.00 N ATOM 1750 CA GLY A 140 115.920 -0.847 2.369 1.00 0.00 C ATOM 1751 C GLY A 140 116.165 0.670 2.353 1.00 0.00 C ATOM 1752 O GLY A 140 115.644 1.372 1.507 1.00 0.00 O ATOM 0 H GLY A 140 117.745 -1.805 2.919 1.00 0.00 H new ATOM 0 HA2 GLY A 140 116.059 -1.255 1.368 1.00 0.00 H new ATOM 0 HA3 GLY A 140 114.889 -1.053 2.657 1.00 0.00 H new ATOM 1756 N GLY A 141 116.951 1.184 3.274 1.00 0.00 N ATOM 1757 CA GLY A 141 117.218 2.652 3.295 1.00 0.00 C ATOM 1758 C GLY A 141 117.999 3.040 2.028 1.00 0.00 C ATOM 1759 O GLY A 141 118.995 2.417 1.719 1.00 0.00 O ATOM 0 H GLY A 141 117.415 0.648 4.007 1.00 0.00 H new ATOM 0 HA2 GLY A 141 116.279 3.204 3.342 1.00 0.00 H new ATOM 0 HA3 GLY A 141 117.789 2.918 4.185 1.00 0.00 H new ATOM 1763 N PRO A 142 117.530 4.049 1.321 1.00 0.00 N ATOM 1764 CA PRO A 142 118.224 4.474 0.082 1.00 0.00 C ATOM 1765 C PRO A 142 119.484 5.280 0.411 1.00 0.00 C ATOM 1766 O PRO A 142 119.542 5.981 1.404 1.00 0.00 O ATOM 1767 CB PRO A 142 117.200 5.356 -0.624 1.00 0.00 C ATOM 1768 CG PRO A 142 116.310 5.874 0.461 1.00 0.00 C ATOM 1769 CD PRO A 142 116.338 4.874 1.589 1.00 0.00 C ATOM 0 HA PRO A 142 118.551 3.630 -0.525 1.00 0.00 H new ATOM 0 HB2 PRO A 142 117.686 6.173 -1.158 1.00 0.00 H new ATOM 0 HB3 PRO A 142 116.632 4.787 -1.360 1.00 0.00 H new ATOM 0 HG2 PRO A 142 116.654 6.849 0.805 1.00 0.00 H new ATOM 0 HG3 PRO A 142 115.293 6.006 0.092 1.00 0.00 H new ATOM 0 HD2 PRO A 142 116.408 5.370 2.557 1.00 0.00 H new ATOM 0 HD3 PRO A 142 115.432 4.269 1.605 1.00 0.00 H new ATOM 1777 N LEU A 143 120.483 5.192 -0.428 1.00 0.00 N ATOM 1778 CA LEU A 143 121.740 5.958 -0.194 1.00 0.00 C ATOM 1779 C LEU A 143 121.720 7.223 -1.054 1.00 0.00 C ATOM 1780 O LEU A 143 121.661 7.152 -2.266 1.00 0.00 O ATOM 1781 CB LEU A 143 122.864 5.019 -0.635 1.00 0.00 C ATOM 1782 CG LEU A 143 122.976 3.857 0.353 1.00 0.00 C ATOM 1783 CD1 LEU A 143 123.632 2.660 -0.339 1.00 0.00 C ATOM 1784 CD2 LEU A 143 123.834 4.285 1.547 1.00 0.00 C ATOM 0 H LEU A 143 120.480 4.618 -1.271 1.00 0.00 H new ATOM 0 HA LEU A 143 121.865 6.268 0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 143 122.663 4.640 -1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 143 123.808 5.562 -0.683 1.00 0.00 H new ATOM 0 HG LEU A 143 121.981 3.578 0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 143 123.712 1.832 0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 143 123.025 2.355 -1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 143 124.627 2.940 -0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 143 123.915 3.458 2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 143 124.829 4.564 1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 143 123.370 5.139 2.041 1.00 0.00 H new ATOM 1796 N LEU A 144 121.750 8.377 -0.435 1.00 0.00 N ATOM 1797 CA LEU A 144 121.711 9.651 -1.214 1.00 0.00 C ATOM 1798 C LEU A 144 123.124 10.149 -1.530 1.00 0.00 C ATOM 1799 O LEU A 144 124.093 9.733 -0.925 1.00 0.00 O ATOM 1800 CB LEU A 144 120.987 10.648 -0.308 1.00 0.00 C ATOM 1801 CG LEU A 144 119.478 10.532 -0.522 1.00 0.00 C ATOM 1802 CD1 LEU A 144 118.977 9.209 0.061 1.00 0.00 C ATOM 1803 CD2 LEU A 144 118.774 11.696 0.178 1.00 0.00 C ATOM 0 H LEU A 144 121.800 8.491 0.577 1.00 0.00 H new ATOM 0 HA LEU A 144 121.209 9.520 -2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 144 121.233 10.452 0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 144 121.319 11.663 -0.528 1.00 0.00 H new ATOM 0 HG LEU A 144 119.260 10.562 -1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 144 117.901 9.128 -0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 144 119.478 8.379 -0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 144 119.195 9.176 1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 144 117.698 11.615 0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 144 118.993 11.665 1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 144 119.129 12.639 -0.238 1.00 0.00 H new ATOM 1815 N CYS A 145 123.234 11.045 -2.476 1.00 0.00 N ATOM 1816 CA CYS A 145 124.569 11.597 -2.853 1.00 0.00 C ATOM 1817 C CYS A 145 124.581 13.116 -2.615 1.00 0.00 C ATOM 1818 O CYS A 145 123.577 13.680 -2.228 1.00 0.00 O ATOM 1819 CB CYS A 145 124.723 11.283 -4.350 1.00 0.00 C ATOM 1820 SG CYS A 145 126.039 10.060 -4.600 1.00 0.00 S ATOM 0 H CYS A 145 122.449 11.421 -3.008 1.00 0.00 H new ATOM 0 HA CYS A 145 125.382 11.169 -2.267 1.00 0.00 H new ATOM 0 HB2 CYS A 145 123.782 10.903 -4.748 1.00 0.00 H new ATOM 0 HB3 CYS A 145 124.955 12.196 -4.899 1.00 0.00 H new ATOM 0 HG CYS A 145 126.867 10.492 -5.504 1.00 0.00 H new ATOM 1825 N PRO A 146 125.715 13.742 -2.853 1.00 0.00 N ATOM 1826 CA PRO A 146 125.814 15.210 -2.653 1.00 0.00 C ATOM 1827 C PRO A 146 125.022 15.952 -3.735 1.00 0.00 C ATOM 1828 O PRO A 146 124.560 17.058 -3.527 1.00 0.00 O ATOM 1829 CB PRO A 146 127.309 15.492 -2.777 1.00 0.00 C ATOM 1830 CG PRO A 146 127.846 14.371 -3.607 1.00 0.00 C ATOM 1831 CD PRO A 146 126.988 13.167 -3.323 1.00 0.00 C ATOM 0 HA PRO A 146 125.404 15.541 -1.699 1.00 0.00 H new ATOM 0 HB2 PRO A 146 127.491 16.456 -3.251 1.00 0.00 H new ATOM 0 HB3 PRO A 146 127.787 15.523 -1.798 1.00 0.00 H new ATOM 0 HG2 PRO A 146 127.815 14.626 -4.666 1.00 0.00 H new ATOM 0 HG3 PRO A 146 128.888 14.170 -3.357 1.00 0.00 H new ATOM 0 HD2 PRO A 146 126.846 12.558 -4.216 1.00 0.00 H new ATOM 0 HD3 PRO A 146 127.439 12.524 -2.567 1.00 0.00 H new ATOM 1839 N SER A 147 124.862 15.348 -4.886 1.00 0.00 N ATOM 1840 CA SER A 147 124.096 16.013 -5.986 1.00 0.00 C ATOM 1841 C SER A 147 122.608 16.076 -5.632 1.00 0.00 C ATOM 1842 O SER A 147 121.913 17.006 -5.998 1.00 0.00 O ATOM 1843 CB SER A 147 124.315 15.134 -7.218 1.00 0.00 C ATOM 1844 OG SER A 147 123.769 13.843 -6.976 1.00 0.00 O ATOM 0 H SER A 147 125.228 14.423 -5.112 1.00 0.00 H new ATOM 0 HA SER A 147 124.428 17.037 -6.154 1.00 0.00 H new ATOM 0 HB2 SER A 147 123.841 15.585 -8.090 1.00 0.00 H new ATOM 0 HB3 SER A 147 125.380 15.056 -7.439 1.00 0.00 H new ATOM 0 HG SER A 147 124.369 13.160 -7.341 1.00 0.00 H new ATOM 1850 N GLY A 148 122.117 15.091 -4.924 1.00 0.00 N ATOM 1851 CA GLY A 148 120.673 15.082 -4.541 1.00 0.00 C ATOM 1852 C GLY A 148 119.927 14.045 -5.381 1.00 0.00 C ATOM 1853 O GLY A 148 118.856 14.305 -5.897 1.00 0.00 O ATOM 0 H GLY A 148 122.656 14.290 -4.594 1.00 0.00 H new ATOM 0 HA2 GLY A 148 120.569 14.850 -3.481 1.00 0.00 H new ATOM 0 HA3 GLY A 148 120.239 16.070 -4.695 1.00 0.00 H new ATOM 1857 N HIS A 149 120.488 12.870 -5.522 1.00 0.00 N ATOM 1858 CA HIS A 149 119.820 11.805 -6.328 1.00 0.00 C ATOM 1859 C HIS A 149 119.921 10.455 -5.612 1.00 0.00 C ATOM 1860 O HIS A 149 120.758 10.264 -4.749 1.00 0.00 O ATOM 1861 CB HIS A 149 120.585 11.772 -7.651 1.00 0.00 C ATOM 1862 CG HIS A 149 120.250 13.001 -8.451 1.00 0.00 C ATOM 1863 ND1 HIS A 149 119.255 13.006 -9.417 1.00 0.00 N ATOM 1864 CD2 HIS A 149 120.766 14.273 -8.439 1.00 0.00 C ATOM 1865 CE1 HIS A 149 119.204 14.245 -9.940 1.00 0.00 C ATOM 1866 NE2 HIS A 149 120.104 15.057 -9.380 1.00 0.00 N ATOM 0 H HIS A 149 121.383 12.603 -5.112 1.00 0.00 H new ATOM 0 HA HIS A 149 118.759 12.004 -6.476 1.00 0.00 H new ATOM 0 HB2 HIS A 149 121.658 11.728 -7.463 1.00 0.00 H new ATOM 0 HB3 HIS A 149 120.323 10.876 -8.213 1.00 0.00 H new ATOM 0 HD1 HIS A 149 118.669 12.215 -9.683 1.00 0.00 H new ATOM 0 HD2 HIS A 149 121.565 14.614 -7.797 1.00 0.00 H new ATOM 0 HE1 HIS A 149 118.518 14.546 -10.718 1.00 0.00 H new ATOM 1874 N ALA A 150 119.073 9.522 -5.963 1.00 0.00 N ATOM 1875 CA ALA A 150 119.110 8.180 -5.304 1.00 0.00 C ATOM 1876 C ALA A 150 120.247 7.334 -5.883 1.00 0.00 C ATOM 1877 O ALA A 150 120.336 7.132 -7.080 1.00 0.00 O ATOM 1878 CB ALA A 150 117.755 7.544 -5.619 1.00 0.00 C ATOM 0 H ALA A 150 118.355 9.631 -6.679 1.00 0.00 H new ATOM 0 HA ALA A 150 119.286 8.254 -4.231 1.00 0.00 H new ATOM 0 HB1 ALA A 150 117.705 6.553 -5.168 1.00 0.00 H new ATOM 0 HB2 ALA A 150 116.958 8.168 -5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 150 117.636 7.458 -6.699 1.00 0.00 H new ATOM 1884 N VAL A 151 121.115 6.838 -5.038 1.00 0.00 N ATOM 1885 CA VAL A 151 122.254 6.001 -5.524 1.00 0.00 C ATOM 1886 C VAL A 151 121.859 4.519 -5.521 1.00 0.00 C ATOM 1887 O VAL A 151 121.983 3.835 -6.521 1.00 0.00 O ATOM 1888 CB VAL A 151 123.393 6.260 -4.531 1.00 0.00 C ATOM 1889 CG1 VAL A 151 124.627 5.445 -4.931 1.00 0.00 C ATOM 1890 CG2 VAL A 151 123.751 7.749 -4.538 1.00 0.00 C ATOM 0 H VAL A 151 121.084 6.977 -4.028 1.00 0.00 H new ATOM 0 HA VAL A 151 122.544 6.250 -6.545 1.00 0.00 H new ATOM 0 HB VAL A 151 123.069 5.964 -3.533 1.00 0.00 H new ATOM 0 HG11 VAL A 151 125.433 5.633 -4.222 1.00 0.00 H new ATOM 0 HG12 VAL A 151 124.379 4.384 -4.926 1.00 0.00 H new ATOM 0 HG13 VAL A 151 124.948 5.738 -5.931 1.00 0.00 H new ATOM 0 HG21 VAL A 151 124.561 7.932 -3.832 1.00 0.00 H new ATOM 0 HG22 VAL A 151 124.069 8.042 -5.539 1.00 0.00 H new ATOM 0 HG23 VAL A 151 122.878 8.334 -4.249 1.00 0.00 H new ATOM 1900 N GLY A 152 121.389 4.021 -4.403 1.00 0.00 N ATOM 1901 CA GLY A 152 120.990 2.582 -4.332 1.00 0.00 C ATOM 1902 C GLY A 152 120.274 2.301 -3.008 1.00 0.00 C ATOM 1903 O GLY A 152 119.806 3.203 -2.343 1.00 0.00 O ATOM 0 H GLY A 152 121.265 4.548 -3.539 1.00 0.00 H new ATOM 0 HA2 GLY A 152 120.335 2.336 -5.168 1.00 0.00 H new ATOM 0 HA3 GLY A 152 121.872 1.947 -4.420 1.00 0.00 H new ATOM 1907 N ILE A 153 120.185 1.051 -2.628 1.00 0.00 N ATOM 1908 CA ILE A 153 119.499 0.692 -1.349 1.00 0.00 C ATOM 1909 C ILE A 153 120.390 -0.239 -0.514 1.00 0.00 C ATOM 1910 O ILE A 153 121.032 -1.130 -1.038 1.00 0.00 O ATOM 1911 CB ILE A 153 118.209 -0.019 -1.781 1.00 0.00 C ATOM 1912 CG1 ILE A 153 117.304 0.973 -2.512 1.00 0.00 C ATOM 1913 CG2 ILE A 153 117.464 -0.555 -0.555 1.00 0.00 C ATOM 1914 CD1 ILE A 153 116.143 0.220 -3.165 1.00 0.00 C ATOM 0 H ILE A 153 120.560 0.260 -3.151 1.00 0.00 H new ATOM 0 HA ILE A 153 119.291 1.562 -0.727 1.00 0.00 H new ATOM 0 HB ILE A 153 118.468 -0.849 -2.439 1.00 0.00 H new ATOM 0 HG12 ILE A 153 116.922 1.716 -1.812 1.00 0.00 H new ATOM 0 HG13 ILE A 153 117.874 1.511 -3.269 1.00 0.00 H new ATOM 0 HG21 ILE A 153 116.551 -1.057 -0.875 1.00 0.00 H new ATOM 0 HG22 ILE A 153 118.100 -1.263 -0.023 1.00 0.00 H new ATOM 0 HG23 ILE A 153 117.210 0.273 0.107 1.00 0.00 H new ATOM 0 HD11 ILE A 153 115.498 0.927 -3.686 1.00 0.00 H new ATOM 0 HD12 ILE A 153 116.535 -0.506 -3.877 1.00 0.00 H new ATOM 0 HD13 ILE A 153 115.568 -0.298 -2.398 1.00 0.00 H new ATOM 1926 N PHE A 154 120.422 -0.040 0.780 1.00 0.00 N ATOM 1927 CA PHE A 154 121.263 -0.914 1.659 1.00 0.00 C ATOM 1928 C PHE A 154 120.779 -2.364 1.565 1.00 0.00 C ATOM 1929 O PHE A 154 119.606 -2.645 1.715 1.00 0.00 O ATOM 1930 CB PHE A 154 121.062 -0.367 3.078 1.00 0.00 C ATOM 1931 CG PHE A 154 122.066 -0.991 4.026 1.00 0.00 C ATOM 1932 CD1 PHE A 154 123.424 -1.047 3.683 1.00 0.00 C ATOM 1933 CD2 PHE A 154 121.634 -1.507 5.254 1.00 0.00 C ATOM 1934 CE1 PHE A 154 124.346 -1.620 4.568 1.00 0.00 C ATOM 1935 CE2 PHE A 154 122.558 -2.079 6.138 1.00 0.00 C ATOM 1936 CZ PHE A 154 123.913 -2.136 5.794 1.00 0.00 C ATOM 0 H PHE A 154 119.902 0.690 1.267 1.00 0.00 H new ATOM 0 HA PHE A 154 122.314 -0.907 1.370 1.00 0.00 H new ATOM 0 HB2 PHE A 154 121.176 0.717 3.077 1.00 0.00 H new ATOM 0 HB3 PHE A 154 120.049 -0.580 3.418 1.00 0.00 H new ATOM 0 HD1 PHE A 154 123.759 -0.649 2.737 1.00 0.00 H new ATOM 0 HD2 PHE A 154 120.588 -1.464 5.520 1.00 0.00 H new ATOM 0 HE1 PHE A 154 125.392 -1.664 4.304 1.00 0.00 H new ATOM 0 HE2 PHE A 154 122.224 -2.476 7.085 1.00 0.00 H new ATOM 0 HZ PHE A 154 124.625 -2.578 6.475 1.00 0.00 H new ATOM 1946 N ARG A 155 121.676 -3.281 1.306 1.00 0.00 N ATOM 1947 CA ARG A 155 121.276 -4.716 1.190 1.00 0.00 C ATOM 1948 C ARG A 155 121.669 -5.496 2.451 1.00 0.00 C ATOM 1949 O ARG A 155 120.823 -5.924 3.216 1.00 0.00 O ATOM 1950 CB ARG A 155 122.042 -5.235 -0.033 1.00 0.00 C ATOM 1951 CG ARG A 155 121.716 -6.715 -0.262 1.00 0.00 C ATOM 1952 CD ARG A 155 122.454 -7.214 -1.509 1.00 0.00 C ATOM 1953 NE ARG A 155 122.312 -8.705 -1.481 1.00 0.00 N ATOM 1954 CZ ARG A 155 123.014 -9.474 -2.289 1.00 0.00 C ATOM 1955 NH1 ARG A 155 124.002 -8.994 -3.007 1.00 0.00 N ATOM 1956 NH2 ARG A 155 122.723 -10.743 -2.374 1.00 0.00 N ATOM 0 H ARG A 155 122.670 -3.097 1.170 1.00 0.00 H new ATOM 0 HA ARG A 155 120.198 -4.836 1.082 1.00 0.00 H new ATOM 0 HB2 ARG A 155 121.773 -4.654 -0.915 1.00 0.00 H new ATOM 0 HB3 ARG A 155 123.114 -5.109 0.118 1.00 0.00 H new ATOM 0 HG2 ARG A 155 122.011 -7.302 0.608 1.00 0.00 H new ATOM 0 HG3 ARG A 155 120.641 -6.847 -0.386 1.00 0.00 H new ATOM 0 HD2 ARG A 155 122.021 -6.794 -2.417 1.00 0.00 H new ATOM 0 HD3 ARG A 155 123.503 -6.918 -1.490 1.00 0.00 H new ATOM 0 HE ARG A 155 121.660 -9.133 -0.824 1.00 0.00 H new ATOM 0 HH11 ARG A 155 124.242 -8.004 -2.947 1.00 0.00 H new ATOM 0 HH12 ARG A 155 124.530 -9.610 -3.625 1.00 0.00 H new ATOM 0 HH21 ARG A 155 121.960 -11.129 -1.819 1.00 0.00 H new ATOM 0 HH22 ARG A 155 123.259 -11.349 -2.996 1.00 0.00 H new ATOM 1970 N ALA A 156 122.945 -5.697 2.660 1.00 0.00 N ATOM 1971 CA ALA A 156 123.399 -6.465 3.856 1.00 0.00 C ATOM 1972 C ALA A 156 124.557 -5.746 4.553 1.00 0.00 C ATOM 1973 O ALA A 156 125.320 -5.032 3.932 1.00 0.00 O ATOM 1974 CB ALA A 156 123.868 -7.813 3.293 1.00 0.00 C ATOM 0 H ALA A 156 123.692 -5.361 2.052 1.00 0.00 H new ATOM 0 HA ALA A 156 122.609 -6.575 4.599 1.00 0.00 H new ATOM 0 HB1 ALA A 156 124.221 -8.445 4.108 1.00 0.00 H new ATOM 0 HB2 ALA A 156 123.037 -8.304 2.786 1.00 0.00 H new ATOM 0 HB3 ALA A 156 124.679 -7.649 2.584 1.00 0.00 H new ATOM 1980 N ALA A 157 124.697 -5.947 5.838 1.00 0.00 N ATOM 1981 CA ALA A 157 125.813 -5.298 6.586 1.00 0.00 C ATOM 1982 C ALA A 157 126.999 -6.264 6.652 1.00 0.00 C ATOM 1983 O ALA A 157 126.820 -7.461 6.641 1.00 0.00 O ATOM 1984 CB ALA A 157 125.255 -5.030 7.986 1.00 0.00 C ATOM 0 H ALA A 157 124.084 -6.535 6.403 1.00 0.00 H new ATOM 0 HA ALA A 157 126.162 -4.379 6.115 1.00 0.00 H new ATOM 0 HB1 ALA A 157 126.020 -4.552 8.597 1.00 0.00 H new ATOM 0 HB2 ALA A 157 124.387 -4.374 7.913 1.00 0.00 H new ATOM 0 HB3 ALA A 157 124.959 -5.973 8.446 1.00 0.00 H new ATOM 1990 N VAL A 158 128.203 -5.752 6.696 1.00 0.00 N ATOM 1991 CA VAL A 158 129.400 -6.651 6.739 1.00 0.00 C ATOM 1992 C VAL A 158 130.184 -6.439 8.037 1.00 0.00 C ATOM 1993 O VAL A 158 130.674 -5.358 8.303 1.00 0.00 O ATOM 1994 CB VAL A 158 130.242 -6.232 5.528 1.00 0.00 C ATOM 1995 CG1 VAL A 158 131.502 -7.095 5.447 1.00 0.00 C ATOM 1996 CG2 VAL A 158 129.426 -6.414 4.244 1.00 0.00 C ATOM 0 H VAL A 158 128.410 -4.753 6.704 1.00 0.00 H new ATOM 0 HA VAL A 158 129.127 -7.706 6.709 1.00 0.00 H new ATOM 0 HB VAL A 158 130.524 -5.185 5.639 1.00 0.00 H new ATOM 0 HG11 VAL A 158 132.096 -6.792 4.584 1.00 0.00 H new ATOM 0 HG12 VAL A 158 132.090 -6.966 6.356 1.00 0.00 H new ATOM 0 HG13 VAL A 158 131.219 -8.143 5.343 1.00 0.00 H new ATOM 0 HG21 VAL A 158 130.027 -6.115 3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 158 129.140 -7.461 4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 158 128.530 -5.796 4.292 1.00 0.00 H new ATOM 2006 N CYS A 159 130.315 -7.468 8.839 1.00 0.00 N ATOM 2007 CA CYS A 159 131.077 -7.333 10.119 1.00 0.00 C ATOM 2008 C CYS A 159 131.900 -8.599 10.392 1.00 0.00 C ATOM 2009 O CYS A 159 131.459 -9.702 10.131 1.00 0.00 O ATOM 2010 CB CYS A 159 130.010 -7.127 11.204 1.00 0.00 C ATOM 2011 SG CYS A 159 128.880 -8.546 11.260 1.00 0.00 S ATOM 0 H CYS A 159 129.927 -8.395 8.662 1.00 0.00 H new ATOM 0 HA CYS A 159 131.785 -6.505 10.089 1.00 0.00 H new ATOM 0 HB2 CYS A 159 130.490 -6.998 12.174 1.00 0.00 H new ATOM 0 HB3 CYS A 159 129.448 -6.215 11.002 1.00 0.00 H new ATOM 0 HG CYS A 159 129.489 -9.604 10.812 1.00 0.00 H new ATOM 2017 N THR A 160 133.089 -8.444 10.922 1.00 0.00 N ATOM 2018 CA THR A 160 133.940 -9.637 11.222 1.00 0.00 C ATOM 2019 C THR A 160 133.420 -10.351 12.473 1.00 0.00 C ATOM 2020 O THR A 160 133.374 -11.565 12.531 1.00 0.00 O ATOM 2021 CB THR A 160 135.344 -9.078 11.465 1.00 0.00 C ATOM 2022 OG1 THR A 160 135.740 -8.294 10.348 1.00 0.00 O ATOM 2023 CG2 THR A 160 136.329 -10.234 11.652 1.00 0.00 C ATOM 0 H THR A 160 133.506 -7.544 11.159 1.00 0.00 H new ATOM 0 HA THR A 160 133.931 -10.366 10.411 1.00 0.00 H new ATOM 0 HB THR A 160 135.338 -8.458 12.361 1.00 0.00 H new ATOM 0 HG1 THR A 160 136.638 -7.934 10.503 1.00 0.00 H new ATOM 0 HG21 THR A 160 137.329 -9.836 11.825 1.00 0.00 H new ATOM 0 HG22 THR A 160 136.025 -10.836 12.508 1.00 0.00 H new ATOM 0 HG23 THR A 160 136.336 -10.855 10.756 1.00 0.00 H new ATOM 2031 N ARG A 161 133.026 -9.601 13.472 1.00 0.00 N ATOM 2032 CA ARG A 161 132.505 -10.223 14.728 1.00 0.00 C ATOM 2033 C ARG A 161 131.394 -9.356 15.333 1.00 0.00 C ATOM 2034 O ARG A 161 131.431 -9.011 16.498 1.00 0.00 O ATOM 2035 CB ARG A 161 133.711 -10.304 15.669 1.00 0.00 C ATOM 2036 CG ARG A 161 134.273 -8.903 15.929 1.00 0.00 C ATOM 2037 CD ARG A 161 135.587 -9.022 16.704 1.00 0.00 C ATOM 2038 NE ARG A 161 136.045 -7.614 16.925 1.00 0.00 N ATOM 2039 CZ ARG A 161 137.035 -7.337 17.750 1.00 0.00 C ATOM 2040 NH1 ARG A 161 137.529 -8.248 18.558 1.00 0.00 N ATOM 2041 NH2 ARG A 161 137.536 -6.132 17.766 1.00 0.00 N ATOM 0 H ARG A 161 133.043 -8.581 13.472 1.00 0.00 H new ATOM 0 HA ARG A 161 132.069 -11.206 14.549 1.00 0.00 H new ATOM 0 HB2 ARG A 161 133.416 -10.766 16.611 1.00 0.00 H new ATOM 0 HB3 ARG A 161 134.482 -10.938 15.231 1.00 0.00 H new ATOM 0 HG2 ARG A 161 134.440 -8.384 14.985 1.00 0.00 H new ATOM 0 HG3 ARG A 161 133.555 -8.310 16.496 1.00 0.00 H new ATOM 0 HD2 ARG A 161 135.439 -9.541 17.651 1.00 0.00 H new ATOM 0 HD3 ARG A 161 136.326 -9.592 16.140 1.00 0.00 H new ATOM 0 HE ARG A 161 135.582 -6.854 16.427 1.00 0.00 H new ATOM 0 HH11 ARG A 161 137.146 -9.193 18.556 1.00 0.00 H new ATOM 0 HH12 ARG A 161 138.295 -8.010 19.188 1.00 0.00 H new ATOM 0 HH21 ARG A 161 137.161 -5.416 17.144 1.00 0.00 H new ATOM 0 HH22 ARG A 161 138.302 -5.907 18.400 1.00 0.00 H new ATOM 2055 N GLY A 162 130.411 -9.001 14.545 1.00 0.00 N ATOM 2056 CA GLY A 162 129.295 -8.153 15.062 1.00 0.00 C ATOM 2057 C GLY A 162 129.608 -6.665 14.843 1.00 0.00 C ATOM 2058 O GLY A 162 128.748 -5.819 15.011 1.00 0.00 O ATOM 0 H GLY A 162 130.333 -9.263 13.562 1.00 0.00 H new ATOM 0 HA2 GLY A 162 128.366 -8.414 14.555 1.00 0.00 H new ATOM 0 HA3 GLY A 162 129.144 -8.347 16.124 1.00 0.00 H new ATOM 2062 N VAL A 163 130.821 -6.335 14.460 1.00 0.00 N ATOM 2063 CA VAL A 163 131.172 -4.902 14.222 1.00 0.00 C ATOM 2064 C VAL A 163 131.172 -4.629 12.716 1.00 0.00 C ATOM 2065 O VAL A 163 131.878 -5.274 11.963 1.00 0.00 O ATOM 2066 CB VAL A 163 132.574 -4.731 14.813 1.00 0.00 C ATOM 2067 CG1 VAL A 163 133.062 -3.297 14.589 1.00 0.00 C ATOM 2068 CG2 VAL A 163 132.531 -5.019 16.316 1.00 0.00 C ATOM 0 H VAL A 163 131.580 -6.998 14.303 1.00 0.00 H new ATOM 0 HA VAL A 163 130.465 -4.208 14.677 1.00 0.00 H new ATOM 0 HB VAL A 163 133.256 -5.426 14.323 1.00 0.00 H new ATOM 0 HG11 VAL A 163 134.060 -3.182 15.012 1.00 0.00 H new ATOM 0 HG12 VAL A 163 133.094 -3.086 13.520 1.00 0.00 H new ATOM 0 HG13 VAL A 163 132.379 -2.600 15.075 1.00 0.00 H new ATOM 0 HG21 VAL A 163 133.528 -4.898 16.738 1.00 0.00 H new ATOM 0 HG22 VAL A 163 131.845 -4.324 16.800 1.00 0.00 H new ATOM 0 HG23 VAL A 163 132.189 -6.041 16.481 1.00 0.00 H new ATOM 2078 N ALA A 164 130.376 -3.690 12.273 1.00 0.00 N ATOM 2079 CA ALA A 164 130.312 -3.388 10.814 1.00 0.00 C ATOM 2080 C ALA A 164 131.380 -2.366 10.421 1.00 0.00 C ATOM 2081 O ALA A 164 131.383 -1.243 10.886 1.00 0.00 O ATOM 2082 CB ALA A 164 128.914 -2.812 10.591 1.00 0.00 C ATOM 0 H ALA A 164 129.768 -3.120 12.860 1.00 0.00 H new ATOM 0 HA ALA A 164 130.495 -4.275 10.208 1.00 0.00 H new ATOM 0 HB1 ALA A 164 128.787 -2.563 9.537 1.00 0.00 H new ATOM 0 HB2 ALA A 164 128.166 -3.549 10.882 1.00 0.00 H new ATOM 0 HB3 ALA A 164 128.791 -1.912 11.194 1.00 0.00 H new ATOM 2088 N LYS A 165 132.279 -2.755 9.554 1.00 0.00 N ATOM 2089 CA LYS A 165 133.350 -1.821 9.102 1.00 0.00 C ATOM 2090 C LYS A 165 133.058 -1.356 7.673 1.00 0.00 C ATOM 2091 O LYS A 165 133.447 -0.275 7.269 1.00 0.00 O ATOM 2092 CB LYS A 165 134.641 -2.642 9.150 1.00 0.00 C ATOM 2093 CG LYS A 165 135.018 -2.916 10.608 1.00 0.00 C ATOM 2094 CD LYS A 165 136.308 -3.739 10.658 1.00 0.00 C ATOM 2095 CE LYS A 165 137.469 -2.903 10.112 1.00 0.00 C ATOM 2096 NZ LYS A 165 138.690 -3.701 10.413 1.00 0.00 N ATOM 0 H LYS A 165 132.316 -3.686 9.138 1.00 0.00 H new ATOM 0 HA LYS A 165 133.418 -0.929 9.724 1.00 0.00 H new ATOM 0 HB2 LYS A 165 134.507 -3.582 8.615 1.00 0.00 H new ATOM 0 HB3 LYS A 165 135.446 -2.103 8.650 1.00 0.00 H new ATOM 0 HG2 LYS A 165 135.154 -1.976 11.142 1.00 0.00 H new ATOM 0 HG3 LYS A 165 134.212 -3.453 11.108 1.00 0.00 H new ATOM 0 HD2 LYS A 165 136.517 -4.045 11.683 1.00 0.00 H new ATOM 0 HD3 LYS A 165 136.194 -4.650 10.070 1.00 0.00 H new ATOM 0 HE2 LYS A 165 137.363 -2.732 9.041 1.00 0.00 H new ATOM 0 HE3 LYS A 165 137.509 -1.924 10.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 139.530 -3.194 10.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 138.768 -3.842 11.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 138.626 -4.625 9.940 1.00 0.00 H new ATOM 2110 N ALA A 166 132.371 -2.167 6.907 1.00 0.00 N ATOM 2111 CA ALA A 166 132.039 -1.786 5.504 1.00 0.00 C ATOM 2112 C ALA A 166 130.557 -2.053 5.225 1.00 0.00 C ATOM 2113 O ALA A 166 129.904 -2.785 5.944 1.00 0.00 O ATOM 2114 CB ALA A 166 132.922 -2.675 4.628 1.00 0.00 C ATOM 0 H ALA A 166 132.025 -3.082 7.197 1.00 0.00 H new ATOM 0 HA ALA A 166 132.214 -0.728 5.310 1.00 0.00 H new ATOM 0 HB1 ALA A 166 132.734 -2.452 3.578 1.00 0.00 H new ATOM 0 HB2 ALA A 166 133.971 -2.485 4.857 1.00 0.00 H new ATOM 0 HB3 ALA A 166 132.692 -3.722 4.824 1.00 0.00 H new ATOM 2120 N VAL A 167 130.026 -1.461 4.187 1.00 0.00 N ATOM 2121 CA VAL A 167 128.585 -1.668 3.850 1.00 0.00 C ATOM 2122 C VAL A 167 128.435 -2.042 2.372 1.00 0.00 C ATOM 2123 O VAL A 167 129.104 -1.496 1.515 1.00 0.00 O ATOM 2124 CB VAL A 167 127.906 -0.323 4.142 1.00 0.00 C ATOM 2125 CG1 VAL A 167 128.058 0.013 5.627 1.00 0.00 C ATOM 2126 CG2 VAL A 167 128.553 0.785 3.304 1.00 0.00 C ATOM 0 H VAL A 167 130.531 -0.840 3.555 1.00 0.00 H new ATOM 0 HA VAL A 167 128.139 -2.478 4.427 1.00 0.00 H new ATOM 0 HB VAL A 167 126.849 -0.396 3.886 1.00 0.00 H new ATOM 0 HG11 VAL A 167 127.576 0.968 5.835 1.00 0.00 H new ATOM 0 HG12 VAL A 167 127.590 -0.768 6.226 1.00 0.00 H new ATOM 0 HG13 VAL A 167 129.117 0.078 5.879 1.00 0.00 H new ATOM 0 HG21 VAL A 167 128.064 1.736 3.518 1.00 0.00 H new ATOM 0 HG22 VAL A 167 129.612 0.857 3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 167 128.443 0.551 2.245 1.00 0.00 H new ATOM 2136 N ASP A 168 127.561 -2.970 2.071 1.00 0.00 N ATOM 2137 CA ASP A 168 127.365 -3.386 0.650 1.00 0.00 C ATOM 2138 C ASP A 168 125.932 -3.086 0.196 1.00 0.00 C ATOM 2139 O ASP A 168 124.975 -3.548 0.790 1.00 0.00 O ATOM 2140 CB ASP A 168 127.624 -4.893 0.642 1.00 0.00 C ATOM 2141 CG ASP A 168 127.534 -5.420 -0.791 1.00 0.00 C ATOM 2142 OD1 ASP A 168 126.966 -6.483 -0.975 1.00 0.00 O ATOM 2143 OD2 ASP A 168 128.036 -4.751 -1.680 1.00 0.00 O ATOM 0 H ASP A 168 126.975 -3.457 2.749 1.00 0.00 H new ATOM 0 HA ASP A 168 128.028 -2.851 -0.030 1.00 0.00 H new ATOM 0 HB2 ASP A 168 128.609 -5.105 1.057 1.00 0.00 H new ATOM 0 HB3 ASP A 168 126.895 -5.401 1.274 1.00 0.00 H new ATOM 2148 N PHE A 169 125.782 -2.324 -0.858 1.00 0.00 N ATOM 2149 CA PHE A 169 124.416 -1.996 -1.368 1.00 0.00 C ATOM 2150 C PHE A 169 124.363 -2.210 -2.887 1.00 0.00 C ATOM 2151 O PHE A 169 125.384 -2.233 -3.548 1.00 0.00 O ATOM 2152 CB PHE A 169 124.191 -0.518 -1.011 1.00 0.00 C ATOM 2153 CG PHE A 169 125.225 0.350 -1.696 1.00 0.00 C ATOM 2154 CD1 PHE A 169 124.973 0.850 -2.980 1.00 0.00 C ATOM 2155 CD2 PHE A 169 126.428 0.658 -1.049 1.00 0.00 C ATOM 2156 CE1 PHE A 169 125.925 1.655 -3.617 1.00 0.00 C ATOM 2157 CE2 PHE A 169 127.379 1.463 -1.687 1.00 0.00 C ATOM 2158 CZ PHE A 169 127.127 1.962 -2.971 1.00 0.00 C ATOM 0 H PHE A 169 126.550 -1.913 -1.389 1.00 0.00 H new ATOM 0 HA PHE A 169 123.645 -2.630 -0.930 1.00 0.00 H new ATOM 0 HB2 PHE A 169 123.190 -0.212 -1.315 1.00 0.00 H new ATOM 0 HB3 PHE A 169 124.251 -0.384 0.069 1.00 0.00 H new ATOM 0 HD1 PHE A 169 124.044 0.615 -3.479 1.00 0.00 H new ATOM 0 HD2 PHE A 169 126.622 0.275 -0.058 1.00 0.00 H new ATOM 0 HE1 PHE A 169 125.731 2.039 -4.608 1.00 0.00 H new ATOM 0 HE2 PHE A 169 128.308 1.699 -1.189 1.00 0.00 H new ATOM 0 HZ PHE A 169 127.861 2.584 -3.462 1.00 0.00 H new ATOM 2168 N VAL A 170 123.186 -2.363 -3.440 1.00 0.00 N ATOM 2169 CA VAL A 170 123.076 -2.572 -4.917 1.00 0.00 C ATOM 2170 C VAL A 170 122.755 -1.243 -5.625 1.00 0.00 C ATOM 2171 O VAL A 170 122.003 -0.441 -5.107 1.00 0.00 O ATOM 2172 CB VAL A 170 121.940 -3.584 -5.125 1.00 0.00 C ATOM 2173 CG1 VAL A 170 122.327 -4.920 -4.492 1.00 0.00 C ATOM 2174 CG2 VAL A 170 120.643 -3.076 -4.483 1.00 0.00 C ATOM 0 H VAL A 170 122.300 -2.352 -2.935 1.00 0.00 H new ATOM 0 HA VAL A 170 124.012 -2.940 -5.337 1.00 0.00 H new ATOM 0 HB VAL A 170 121.777 -3.712 -6.195 1.00 0.00 H new ATOM 0 HG11 VAL A 170 121.521 -5.639 -4.639 1.00 0.00 H new ATOM 0 HG12 VAL A 170 123.237 -5.294 -4.960 1.00 0.00 H new ATOM 0 HG13 VAL A 170 122.499 -4.781 -3.425 1.00 0.00 H new ATOM 0 HG21 VAL A 170 119.849 -3.806 -4.640 1.00 0.00 H new ATOM 0 HG22 VAL A 170 120.798 -2.933 -3.414 1.00 0.00 H new ATOM 0 HG23 VAL A 170 120.359 -2.127 -4.938 1.00 0.00 H new ATOM 2184 N PRO A 171 123.334 -1.042 -6.792 1.00 0.00 N ATOM 2185 CA PRO A 171 123.079 0.208 -7.545 1.00 0.00 C ATOM 2186 C PRO A 171 121.714 0.142 -8.235 1.00 0.00 C ATOM 2187 O PRO A 171 121.073 -0.892 -8.267 1.00 0.00 O ATOM 2188 CB PRO A 171 124.203 0.245 -8.576 1.00 0.00 C ATOM 2189 CG PRO A 171 124.611 -1.182 -8.770 1.00 0.00 C ATOM 2190 CD PRO A 171 124.266 -1.931 -7.508 1.00 0.00 C ATOM 0 HA PRO A 171 123.061 1.094 -6.910 1.00 0.00 H new ATOM 0 HB2 PRO A 171 123.863 0.687 -9.512 1.00 0.00 H new ATOM 0 HB3 PRO A 171 125.040 0.848 -8.224 1.00 0.00 H new ATOM 0 HG2 PRO A 171 124.093 -1.615 -9.626 1.00 0.00 H new ATOM 0 HG3 PRO A 171 125.679 -1.250 -8.976 1.00 0.00 H new ATOM 0 HD2 PRO A 171 123.804 -2.893 -7.731 1.00 0.00 H new ATOM 0 HD3 PRO A 171 125.156 -2.135 -6.912 1.00 0.00 H new ATOM 2198 N VAL A 172 121.270 1.239 -8.790 1.00 0.00 N ATOM 2199 CA VAL A 172 119.944 1.256 -9.489 1.00 0.00 C ATOM 2200 C VAL A 172 119.944 0.252 -10.646 1.00 0.00 C ATOM 2201 O VAL A 172 118.942 -0.370 -10.943 1.00 0.00 O ATOM 2202 CB VAL A 172 119.792 2.682 -10.033 1.00 0.00 C ATOM 2203 CG1 VAL A 172 118.457 2.818 -10.772 1.00 0.00 C ATOM 2204 CG2 VAL A 172 119.829 3.682 -8.873 1.00 0.00 C ATOM 0 H VAL A 172 121.768 2.129 -8.791 1.00 0.00 H new ATOM 0 HA VAL A 172 119.128 0.983 -8.820 1.00 0.00 H new ATOM 0 HB VAL A 172 120.611 2.888 -10.722 1.00 0.00 H new ATOM 0 HG11 VAL A 172 118.355 3.833 -11.156 1.00 0.00 H new ATOM 0 HG12 VAL A 172 118.427 2.112 -11.602 1.00 0.00 H new ATOM 0 HG13 VAL A 172 117.638 2.606 -10.085 1.00 0.00 H new ATOM 0 HG21 VAL A 172 119.721 4.695 -9.262 1.00 0.00 H new ATOM 0 HG22 VAL A 172 119.013 3.469 -8.183 1.00 0.00 H new ATOM 0 HG23 VAL A 172 120.780 3.595 -8.348 1.00 0.00 H new ATOM 2214 N GLU A 173 121.060 0.115 -11.311 1.00 0.00 N ATOM 2215 CA GLU A 173 121.140 -0.824 -12.471 1.00 0.00 C ATOM 2216 C GLU A 173 120.817 -2.260 -12.039 1.00 0.00 C ATOM 2217 O GLU A 173 120.252 -3.023 -12.800 1.00 0.00 O ATOM 2218 CB GLU A 173 122.581 -0.722 -12.970 1.00 0.00 C ATOM 2219 CG GLU A 173 122.801 0.645 -13.620 1.00 0.00 C ATOM 2220 CD GLU A 173 124.181 0.688 -14.285 1.00 0.00 C ATOM 2221 OE1 GLU A 173 124.648 -0.356 -14.711 1.00 0.00 O ATOM 2222 OE2 GLU A 173 124.746 1.767 -14.357 1.00 0.00 O ATOM 0 H GLU A 173 121.924 0.615 -11.101 1.00 0.00 H new ATOM 0 HA GLU A 173 120.419 -0.568 -13.248 1.00 0.00 H new ATOM 0 HB2 GLU A 173 123.275 -0.858 -12.140 1.00 0.00 H new ATOM 0 HB3 GLU A 173 122.785 -1.515 -13.689 1.00 0.00 H new ATOM 0 HG2 GLU A 173 122.024 0.835 -14.361 1.00 0.00 H new ATOM 0 HG3 GLU A 173 122.724 1.431 -12.869 1.00 0.00 H new ATOM 2229 N SER A 174 121.167 -2.634 -10.832 1.00 0.00 N ATOM 2230 CA SER A 174 120.870 -4.026 -10.366 1.00 0.00 C ATOM 2231 C SER A 174 119.358 -4.266 -10.365 1.00 0.00 C ATOM 2232 O SER A 174 118.894 -5.361 -10.619 1.00 0.00 O ATOM 2233 CB SER A 174 121.427 -4.107 -8.945 1.00 0.00 C ATOM 2234 OG SER A 174 120.613 -3.328 -8.077 1.00 0.00 O ATOM 0 H SER A 174 121.643 -2.040 -10.153 1.00 0.00 H new ATOM 0 HA SER A 174 121.315 -4.780 -11.015 1.00 0.00 H new ATOM 0 HB2 SER A 174 121.449 -5.144 -8.609 1.00 0.00 H new ATOM 0 HB3 SER A 174 122.454 -3.743 -8.923 1.00 0.00 H new ATOM 0 HG SER A 174 120.510 -2.426 -8.447 1.00 0.00 H new ATOM 2240 N MET A 175 118.591 -3.244 -10.083 1.00 0.00 N ATOM 2241 CA MET A 175 117.102 -3.396 -10.064 1.00 0.00 C ATOM 2242 C MET A 175 116.577 -3.623 -11.485 1.00 0.00 C ATOM 2243 O MET A 175 115.682 -4.416 -11.707 1.00 0.00 O ATOM 2244 CB MET A 175 116.573 -2.073 -9.507 1.00 0.00 C ATOM 2245 CG MET A 175 116.926 -1.967 -8.022 1.00 0.00 C ATOM 2246 SD MET A 175 116.484 -0.319 -7.416 1.00 0.00 S ATOM 2247 CE MET A 175 117.617 -0.289 -6.005 1.00 0.00 C ATOM 0 H MET A 175 118.931 -2.308 -9.864 1.00 0.00 H new ATOM 0 HA MET A 175 116.783 -4.248 -9.464 1.00 0.00 H new ATOM 0 HB2 MET A 175 117.006 -1.236 -10.055 1.00 0.00 H new ATOM 0 HB3 MET A 175 115.493 -2.016 -9.640 1.00 0.00 H new ATOM 0 HG2 MET A 175 116.393 -2.730 -7.455 1.00 0.00 H new ATOM 0 HG3 MET A 175 117.991 -2.147 -7.876 1.00 0.00 H new ATOM 0 HE1 MET A 175 117.450 0.618 -5.423 1.00 0.00 H new ATOM 0 HE2 MET A 175 117.439 -1.161 -5.376 1.00 0.00 H new ATOM 0 HE3 MET A 175 118.646 -0.305 -6.364 1.00 0.00 H new ATOM 2257 N GLU A 176 117.128 -2.923 -12.444 1.00 0.00 N ATOM 2258 CA GLU A 176 116.668 -3.081 -13.859 1.00 0.00 C ATOM 2259 C GLU A 176 116.864 -4.527 -14.328 1.00 0.00 C ATOM 2260 O GLU A 176 116.039 -5.073 -15.037 1.00 0.00 O ATOM 2261 CB GLU A 176 117.544 -2.128 -14.677 1.00 0.00 C ATOM 2262 CG GLU A 176 117.107 -2.159 -16.144 1.00 0.00 C ATOM 2263 CD GLU A 176 117.768 -1.006 -16.899 1.00 0.00 C ATOM 2264 OE1 GLU A 176 118.987 -0.970 -16.939 1.00 0.00 O ATOM 2265 OE2 GLU A 176 117.044 -0.176 -17.424 1.00 0.00 O ATOM 0 H GLU A 176 117.879 -2.246 -12.308 1.00 0.00 H new ATOM 0 HA GLU A 176 115.608 -2.854 -13.970 1.00 0.00 H new ATOM 0 HB2 GLU A 176 117.462 -1.115 -14.284 1.00 0.00 H new ATOM 0 HB3 GLU A 176 118.591 -2.418 -14.593 1.00 0.00 H new ATOM 0 HG2 GLU A 176 117.385 -3.111 -16.597 1.00 0.00 H new ATOM 0 HG3 GLU A 176 116.022 -2.078 -16.213 1.00 0.00 H new ATOM 2272 N THR A 177 117.951 -5.145 -13.939 1.00 0.00 N ATOM 2273 CA THR A 177 118.209 -6.557 -14.366 1.00 0.00 C ATOM 2274 C THR A 177 117.083 -7.473 -13.870 1.00 0.00 C ATOM 2275 O THR A 177 116.644 -8.364 -14.574 1.00 0.00 O ATOM 2276 CB THR A 177 119.543 -6.936 -13.711 1.00 0.00 C ATOM 2277 OG1 THR A 177 120.557 -6.055 -14.170 1.00 0.00 O ATOM 2278 CG2 THR A 177 119.914 -8.374 -14.085 1.00 0.00 C ATOM 0 H THR A 177 118.671 -4.734 -13.345 1.00 0.00 H new ATOM 0 HA THR A 177 118.247 -6.660 -15.450 1.00 0.00 H new ATOM 0 HB THR A 177 119.448 -6.858 -12.628 1.00 0.00 H new ATOM 0 HG1 THR A 177 121.411 -6.293 -13.752 1.00 0.00 H new ATOM 0 HG21 THR A 177 120.862 -8.638 -13.617 1.00 0.00 H new ATOM 0 HG22 THR A 177 119.136 -9.053 -13.736 1.00 0.00 H new ATOM 0 HG23 THR A 177 120.008 -8.456 -15.168 1.00 0.00 H new ATOM 2286 N THR A 178 116.613 -7.258 -12.667 1.00 0.00 N ATOM 2287 CA THR A 178 115.512 -8.114 -12.123 1.00 0.00 C ATOM 2288 C THR A 178 114.267 -7.991 -13.008 1.00 0.00 C ATOM 2289 O THR A 178 113.585 -8.963 -13.273 1.00 0.00 O ATOM 2290 CB THR A 178 115.228 -7.566 -10.720 1.00 0.00 C ATOM 2291 OG1 THR A 178 116.412 -7.639 -9.937 1.00 0.00 O ATOM 2292 CG2 THR A 178 114.126 -8.394 -10.054 1.00 0.00 C ATOM 0 H THR A 178 116.943 -6.527 -12.037 1.00 0.00 H new ATOM 0 HA THR A 178 115.786 -9.169 -12.096 1.00 0.00 H new ATOM 0 HB THR A 178 114.902 -6.529 -10.797 1.00 0.00 H new ATOM 0 HG1 THR A 178 116.233 -7.287 -9.040 1.00 0.00 H new ATOM 0 HG21 THR A 178 113.928 -8.001 -9.057 1.00 0.00 H new ATOM 0 HG22 THR A 178 113.217 -8.339 -10.653 1.00 0.00 H new ATOM 0 HG23 THR A 178 114.448 -9.433 -9.977 1.00 0.00 H new ATOM 2300 N MET A 179 113.970 -6.799 -13.461 1.00 0.00 N ATOM 2301 CA MET A 179 112.769 -6.598 -14.329 1.00 0.00 C ATOM 2302 C MET A 179 112.902 -7.419 -15.615 1.00 0.00 C ATOM 2303 O MET A 179 111.955 -8.032 -16.072 1.00 0.00 O ATOM 2304 CB MET A 179 112.750 -5.103 -14.651 1.00 0.00 C ATOM 2305 CG MET A 179 111.389 -4.723 -15.234 1.00 0.00 C ATOM 2306 SD MET A 179 111.459 -3.037 -15.886 1.00 0.00 S ATOM 2307 CE MET A 179 112.341 -3.423 -17.418 1.00 0.00 C ATOM 0 H MET A 179 114.508 -5.955 -13.267 1.00 0.00 H new ATOM 0 HA MET A 179 111.851 -6.919 -13.837 1.00 0.00 H new ATOM 0 HB2 MET A 179 112.945 -4.524 -13.749 1.00 0.00 H new ATOM 0 HB3 MET A 179 113.541 -4.863 -15.361 1.00 0.00 H new ATOM 0 HG2 MET A 179 111.114 -5.419 -16.026 1.00 0.00 H new ATOM 0 HG3 MET A 179 110.620 -4.795 -14.465 1.00 0.00 H new ATOM 0 HE1 MET A 179 113.267 -2.849 -17.459 1.00 0.00 H new ATOM 0 HE2 MET A 179 112.573 -4.488 -17.446 1.00 0.00 H new ATOM 0 HE3 MET A 179 111.716 -3.165 -18.273 1.00 0.00 H new ATOM 2317 N ARG A 180 114.073 -7.434 -16.200 1.00 0.00 N ATOM 2318 CA ARG A 180 114.279 -8.212 -17.460 1.00 0.00 C ATOM 2319 C ARG A 180 114.041 -9.704 -17.208 1.00 0.00 C ATOM 2320 O ARG A 180 113.460 -10.393 -18.024 1.00 0.00 O ATOM 2321 CB ARG A 180 115.733 -7.956 -17.862 1.00 0.00 C ATOM 2322 CG ARG A 180 115.884 -6.507 -18.327 1.00 0.00 C ATOM 2323 CD ARG A 180 117.367 -6.183 -18.538 1.00 0.00 C ATOM 2324 NE ARG A 180 117.384 -4.850 -19.206 1.00 0.00 N ATOM 2325 CZ ARG A 180 118.498 -4.386 -19.706 1.00 0.00 C ATOM 2326 NH1 ARG A 180 118.835 -4.680 -20.931 1.00 0.00 N ATOM 2327 NH2 ARG A 180 119.271 -3.626 -18.980 1.00 0.00 N ATOM 0 H ARG A 180 114.897 -6.940 -15.859 1.00 0.00 H new ATOM 0 HA ARG A 180 113.586 -7.910 -18.245 1.00 0.00 H new ATOM 0 HB2 ARG A 180 116.395 -8.149 -17.018 1.00 0.00 H new ATOM 0 HB3 ARG A 180 116.027 -8.638 -18.660 1.00 0.00 H new ATOM 0 HG2 ARG A 180 115.333 -6.354 -19.255 1.00 0.00 H new ATOM 0 HG3 ARG A 180 115.456 -5.831 -17.587 1.00 0.00 H new ATOM 0 HD2 ARG A 180 117.903 -6.155 -17.589 1.00 0.00 H new ATOM 0 HD3 ARG A 180 117.851 -6.939 -19.156 1.00 0.00 H new ATOM 0 HE ARG A 180 116.527 -4.301 -19.272 1.00 0.00 H new ATOM 0 HH11 ARG A 180 118.229 -5.272 -21.499 1.00 0.00 H new ATOM 0 HH12 ARG A 180 119.705 -4.318 -21.322 1.00 0.00 H new ATOM 0 HH21 ARG A 180 119.005 -3.395 -18.023 1.00 0.00 H new ATOM 0 HH22 ARG A 180 120.141 -3.263 -19.370 1.00 0.00 H new ATOM 2341 N ALA A 181 114.489 -10.203 -16.084 1.00 0.00 N ATOM 2342 CA ALA A 181 114.291 -11.652 -15.771 1.00 0.00 C ATOM 2343 C ALA A 181 112.846 -11.905 -15.332 1.00 0.00 C ATOM 2344 O ALA A 181 112.587 -12.674 -14.428 1.00 0.00 O ATOM 2345 CB ALA A 181 115.260 -11.951 -14.625 1.00 0.00 C ATOM 0 H ALA A 181 114.984 -9.670 -15.369 1.00 0.00 H new ATOM 0 HA ALA A 181 114.477 -12.289 -16.636 1.00 0.00 H new ATOM 0 HB1 ALA A 181 115.173 -12.999 -14.339 1.00 0.00 H new ATOM 0 HB2 ALA A 181 116.281 -11.747 -14.949 1.00 0.00 H new ATOM 0 HB3 ALA A 181 115.018 -11.320 -13.770 1.00 0.00 H new