USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 647 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 47 THR OG1 : rot 174:sc= -3.06! USER MOD Set 1.2: A 68 THR OG1 : rot 43:sc= 0.963 USER MOD Set 2.1: A 56 ASN :FLIP amide:sc= -3.91! F(o=-7.7,f=-6.5!) USER MOD Set 2.2: A 59 GLN : amide:sc= -2.55 K(o=-6.5,f=-10!) USER MOD Set 3.1: A 25 ASN :FLIP amide:sc= -0.647 F(o=-5.6,f=-2.3) USER MOD Set 3.2: A 98 ASN : amide:sc= -1.64 X(o=-2.3,f=-2.4) USER MOD Set 4.1: A 23 ASN :FLIP amide:sc= 0.542 F(o=-2.2,f=1.5) USER MOD Set 4.2: A 96 THR OG1 : rot 120:sc= 0.955 USER MOD Set 5.1: A 22 THR OG1 : rot -120:sc= -0.991 USER MOD Set 5.2: A 30 LYS NZ :NH3+ 143:sc=-0.00662 (180deg=-1.95!) USER MOD Single : A 11 THR OG1 : rot 30:sc= 0.386 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.4 K(o=-1.4,f=-2.8) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0698 USER MOD Single : A 27 THR OG1 : rot 53:sc= 0.0496 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -2.43 K(o=-2.4,f=-15!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc=-0.00783 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -160:sc= 0.0665 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 160:sc= -0.908 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN :FLIP amide:sc= -2.05 F(o=-5.9,f=-2.1) USER MOD Single : A 66 SER OG : rot -130:sc= -0.84 USER MOD Single : A 69 LYS NZ :NH3+ 164:sc= -0.663 (180deg=-1.3) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.403 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.613 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.0465 K(o=-0.047,f=-0.57) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 141 N THR A 11 13.902 18.299 4.584 1.00 4.33 N ATOM 142 CA THR A 11 14.266 19.709 4.522 1.00 55.35 C ATOM 143 C THR A 11 13.445 20.533 5.507 1.00 35.11 C ATOM 144 O THR A 11 12.567 21.301 5.110 1.00 31.24 O ATOM 145 CB THR A 11 14.067 20.278 3.104 1.00 55.11 C ATOM 146 OG1 THR A 11 14.464 19.310 2.127 1.00 23.52 O ATOM 147 CG2 THR A 11 14.871 21.556 2.916 1.00 73.54 C ATOM 0 HA THR A 11 15.321 19.775 4.788 1.00 55.35 H new ATOM 0 HB THR A 11 13.010 20.510 2.975 1.00 55.11 H new ATOM 0 HG1 THR A 11 14.313 18.408 2.480 1.00 23.52 H new ATOM 0 HG21 THR A 11 14.715 21.939 1.908 1.00 73.54 H new ATOM 0 HG22 THR A 11 14.545 22.301 3.642 1.00 73.54 H new ATOM 0 HG23 THR A 11 15.930 21.345 3.064 1.00 73.54 H new ATOM 155 N LEU A 12 13.735 20.370 6.793 1.00 33.51 N ATOM 156 CA LEU A 12 13.023 21.099 7.837 1.00 42.43 C ATOM 157 C LEU A 12 13.745 22.398 8.181 1.00 15.43 C ATOM 158 O LEU A 12 14.905 22.386 8.592 1.00 33.34 O ATOM 159 CB LEU A 12 12.885 20.232 9.089 1.00 34.01 C ATOM 160 CG LEU A 12 12.632 18.743 8.850 1.00 62.03 C ATOM 161 CD1 LEU A 12 12.680 17.976 10.162 1.00 74.10 C ATOM 162 CD2 LEU A 12 11.294 18.534 8.155 1.00 23.35 C ATOM 0 H LEU A 12 14.459 19.739 7.138 1.00 33.51 H new ATOM 0 HA LEU A 12 12.029 21.344 7.462 1.00 42.43 H new ATOM 0 HB2 LEU A 12 13.795 20.335 9.680 1.00 34.01 H new ATOM 0 HB3 LEU A 12 12.067 20.627 9.692 1.00 34.01 H new ATOM 0 HG LEU A 12 13.419 18.360 8.201 1.00 62.03 H new ATOM 0 HD11 LEU A 12 12.498 16.918 9.972 1.00 74.10 H new ATOM 0 HD12 LEU A 12 13.662 18.099 10.619 1.00 74.10 H new ATOM 0 HD13 LEU A 12 11.915 18.361 10.836 1.00 74.10 H new ATOM 0 HD21 LEU A 12 11.131 17.469 7.993 1.00 23.35 H new ATOM 0 HD22 LEU A 12 10.494 18.933 8.778 1.00 23.35 H new ATOM 0 HD23 LEU A 12 11.298 19.051 7.195 1.00 23.35 H new ATOM 174 N SER A 13 13.049 23.518 8.013 1.00 53.33 N ATOM 175 CA SER A 13 13.623 24.826 8.304 1.00 3.53 C ATOM 176 C SER A 13 12.955 25.454 9.524 1.00 73.14 C ATOM 177 O SER A 13 13.626 25.978 10.412 1.00 11.14 O ATOM 178 CB SER A 13 13.477 25.752 7.095 1.00 12.42 C ATOM 179 OG SER A 13 13.407 27.109 7.498 1.00 41.45 O ATOM 0 H SER A 13 12.086 23.545 7.677 1.00 53.33 H new ATOM 0 HA SER A 13 14.682 24.689 8.522 1.00 3.53 H new ATOM 0 HB2 SER A 13 14.323 25.612 6.422 1.00 12.42 H new ATOM 0 HB3 SER A 13 12.579 25.488 6.537 1.00 12.42 H new ATOM 0 HG SER A 13 13.315 27.681 6.707 1.00 41.45 H new ATOM 185 N SER A 14 11.627 25.396 9.558 1.00 42.21 N ATOM 186 CA SER A 14 10.866 25.962 10.666 1.00 72.25 C ATOM 187 C SER A 14 9.591 25.161 10.913 1.00 12.31 C ATOM 188 O SER A 14 9.013 24.592 9.987 1.00 61.32 O ATOM 189 CB SER A 14 10.516 27.423 10.378 1.00 2.21 C ATOM 190 OG SER A 14 11.265 28.299 11.204 1.00 74.52 O ATOM 0 H SER A 14 11.056 24.963 8.832 1.00 42.21 H new ATOM 0 HA SER A 14 11.485 25.914 11.562 1.00 72.25 H new ATOM 0 HB2 SER A 14 10.714 27.648 9.330 1.00 2.21 H new ATOM 0 HB3 SER A 14 9.451 27.584 10.543 1.00 2.21 H new ATOM 0 HG SER A 14 11.025 29.227 11.000 1.00 74.52 H new ATOM 196 N ILE A 15 9.158 25.123 12.169 1.00 64.11 N ATOM 197 CA ILE A 15 7.952 24.394 12.539 1.00 72.41 C ATOM 198 C ILE A 15 7.000 25.276 13.339 1.00 31.14 C ATOM 199 O ILE A 15 7.426 26.212 14.017 1.00 73.55 O ATOM 200 CB ILE A 15 8.285 23.136 13.364 1.00 54.33 C ATOM 201 CG1 ILE A 15 9.511 22.429 12.784 1.00 45.41 C ATOM 202 CG2 ILE A 15 7.091 22.194 13.398 1.00 14.11 C ATOM 203 CD1 ILE A 15 9.360 22.054 11.327 1.00 72.54 C ATOM 0 H ILE A 15 9.625 25.589 12.947 1.00 64.11 H new ATOM 0 HA ILE A 15 7.469 24.092 11.610 1.00 72.41 H new ATOM 0 HB ILE A 15 8.513 23.439 14.386 1.00 54.33 H new ATOM 0 HG12 ILE A 15 10.380 23.077 12.896 1.00 45.41 H new ATOM 0 HG13 ILE A 15 9.709 21.528 13.364 1.00 45.41 H new ATOM 0 HG21 ILE A 15 7.342 21.310 13.984 1.00 14.11 H new ATOM 0 HG22 ILE A 15 6.240 22.702 13.852 1.00 14.11 H new ATOM 0 HG23 ILE A 15 6.835 21.895 12.382 1.00 14.11 H new ATOM 0 HD11 ILE A 15 10.267 21.557 10.983 1.00 72.54 H new ATOM 0 HD12 ILE A 15 8.511 21.381 11.211 1.00 72.54 H new ATOM 0 HD13 ILE A 15 9.193 22.954 10.735 1.00 72.54 H new ATOM 215 N SER A 16 5.709 24.970 13.258 1.00 11.12 N ATOM 216 CA SER A 16 4.695 25.736 13.974 1.00 44.44 C ATOM 217 C SER A 16 3.890 24.835 14.905 1.00 53.43 C ATOM 218 O SER A 16 3.257 23.876 14.463 1.00 30.20 O ATOM 219 CB SER A 16 3.760 26.433 12.984 1.00 14.30 C ATOM 220 OG SER A 16 3.746 27.835 13.195 1.00 63.51 O ATOM 0 H SER A 16 5.340 24.197 12.704 1.00 11.12 H new ATOM 0 HA SER A 16 5.202 26.490 14.577 1.00 44.44 H new ATOM 0 HB2 SER A 16 4.080 26.219 11.964 1.00 14.30 H new ATOM 0 HB3 SER A 16 2.751 26.036 13.091 1.00 14.30 H new ATOM 0 HG SER A 16 3.142 28.257 12.549 1.00 63.51 H new ATOM 226 N ILE A 17 3.919 25.152 16.195 1.00 74.22 N ATOM 227 CA ILE A 17 3.191 24.372 17.188 1.00 13.34 C ATOM 228 C ILE A 17 2.196 25.243 17.949 1.00 71.41 C ATOM 229 O ILE A 17 2.476 26.402 18.253 1.00 33.14 O ATOM 230 CB ILE A 17 4.149 23.708 18.195 1.00 73.11 C ATOM 231 CG1 ILE A 17 5.336 23.078 17.463 1.00 14.11 C ATOM 232 CG2 ILE A 17 3.411 22.662 19.017 1.00 12.02 C ATOM 233 CD1 ILE A 17 4.937 21.991 16.490 1.00 64.05 C ATOM 0 H ILE A 17 4.438 25.943 16.577 1.00 74.22 H new ATOM 0 HA ILE A 17 2.651 23.596 16.646 1.00 13.34 H new ATOM 0 HB ILE A 17 4.528 24.473 18.873 1.00 73.11 H new ATOM 0 HG12 ILE A 17 5.875 23.857 16.924 1.00 14.11 H new ATOM 0 HG13 ILE A 17 6.026 22.662 18.197 1.00 14.11 H new ATOM 0 HG21 ILE A 17 4.101 22.202 19.724 1.00 12.02 H new ATOM 0 HG22 ILE A 17 2.596 23.137 19.563 1.00 12.02 H new ATOM 0 HG23 ILE A 17 3.007 21.897 18.354 1.00 12.02 H new ATOM 0 HD11 ILE A 17 5.828 21.590 16.008 1.00 64.05 H new ATOM 0 HD12 ILE A 17 4.424 21.193 17.027 1.00 64.05 H new ATOM 0 HD13 ILE A 17 4.271 22.406 15.734 1.00 64.05 H new ATOM 245 N SER A 18 1.034 24.675 18.254 1.00 34.52 N ATOM 246 CA SER A 18 -0.004 25.399 18.978 1.00 55.00 C ATOM 247 C SER A 18 -0.566 24.552 20.116 1.00 62.53 C ATOM 248 O SER A 18 -1.702 24.079 20.070 1.00 63.32 O ATOM 249 CB SER A 18 -1.131 25.805 18.026 1.00 41.23 C ATOM 250 OG SER A 18 -0.839 27.035 17.385 1.00 3.24 O ATOM 0 H SER A 18 0.788 23.716 18.011 1.00 34.52 H new ATOM 0 HA SER A 18 0.445 26.297 19.404 1.00 55.00 H new ATOM 0 HB2 SER A 18 -1.277 25.027 17.277 1.00 41.23 H new ATOM 0 HB3 SER A 18 -2.065 25.893 18.580 1.00 41.23 H new ATOM 0 HG SER A 18 -1.574 27.272 16.781 1.00 3.24 H new ATOM 256 N PRO A 19 0.249 24.354 21.163 1.00 52.12 N ATOM 257 CA PRO A 19 -0.144 23.564 22.333 1.00 21.32 C ATOM 258 C PRO A 19 -1.212 24.259 23.170 1.00 31.14 C ATOM 259 O PRO A 19 -1.474 25.449 22.995 1.00 53.15 O ATOM 260 CB PRO A 19 1.158 23.435 23.128 1.00 43.14 C ATOM 261 CG PRO A 19 1.968 24.618 22.722 1.00 51.02 C ATOM 262 CD PRO A 19 1.616 24.888 21.285 1.00 32.30 C ATOM 0 HA PRO A 19 -0.583 22.607 22.050 1.00 21.32 H new ATOM 0 HB2 PRO A 19 0.968 23.435 24.201 1.00 43.14 H new ATOM 0 HB3 PRO A 19 1.674 22.503 22.895 1.00 43.14 H new ATOM 0 HG2 PRO A 19 1.740 25.481 23.348 1.00 51.02 H new ATOM 0 HG3 PRO A 19 3.034 24.417 22.832 1.00 51.02 H new ATOM 0 HD2 PRO A 19 1.654 25.953 21.055 1.00 32.30 H new ATOM 0 HD3 PRO A 19 2.304 24.390 20.602 1.00 32.30 H new ATOM 270 N ILE A 20 -1.825 23.509 24.081 1.00 44.44 N ATOM 271 CA ILE A 20 -2.863 24.055 24.946 1.00 51.14 C ATOM 272 C ILE A 20 -2.682 23.586 26.385 1.00 31.12 C ATOM 273 O ILE A 20 -2.414 22.412 26.637 1.00 74.11 O ATOM 274 CB ILE A 20 -4.269 23.654 24.460 1.00 45.42 C ATOM 275 CG1 ILE A 20 -4.476 24.097 23.010 1.00 53.30 C ATOM 276 CG2 ILE A 20 -5.333 24.260 25.362 1.00 34.10 C ATOM 277 CD1 ILE A 20 -4.437 22.956 22.018 1.00 34.11 C ATOM 0 H ILE A 20 -1.620 22.522 24.238 1.00 44.44 H new ATOM 0 HA ILE A 20 -2.769 25.140 24.906 1.00 51.14 H new ATOM 0 HB ILE A 20 -4.358 22.569 24.505 1.00 45.42 H new ATOM 0 HG12 ILE A 20 -5.436 24.606 22.928 1.00 53.30 H new ATOM 0 HG13 ILE A 20 -3.706 24.823 22.747 1.00 53.30 H new ATOM 0 HG21 ILE A 20 -6.321 23.968 25.006 1.00 34.10 H new ATOM 0 HG22 ILE A 20 -5.194 23.900 26.381 1.00 34.10 H new ATOM 0 HG23 ILE A 20 -5.248 25.347 25.346 1.00 34.10 H new ATOM 0 HD11 ILE A 20 -4.591 23.344 21.011 1.00 34.11 H new ATOM 0 HD12 ILE A 20 -3.468 22.460 22.072 1.00 34.11 H new ATOM 0 HD13 ILE A 20 -5.224 22.240 22.255 1.00 34.11 H new ATOM 289 N ASN A 21 -2.832 24.512 27.327 1.00 60.21 N ATOM 290 CA ASN A 21 -2.686 24.193 28.742 1.00 34.25 C ATOM 291 C ASN A 21 -4.041 24.206 29.445 1.00 24.21 C ATOM 292 O ASN A 21 -4.559 25.265 29.799 1.00 12.14 O ATOM 293 CB ASN A 21 -1.740 25.188 29.416 1.00 11.53 C ATOM 294 CG ASN A 21 -0.490 25.444 28.596 1.00 13.22 C ATOM 295 OD1 ASN A 21 -0.080 24.607 27.792 1.00 21.13 O ATOM 296 ND2 ASN A 21 0.121 26.606 28.797 1.00 62.35 N ATOM 0 H ASN A 21 -3.055 25.489 27.136 1.00 60.21 H new ATOM 0 HA ASN A 21 -2.265 23.191 28.821 1.00 34.25 H new ATOM 0 HB2 ASN A 21 -2.264 26.130 29.579 1.00 11.53 H new ATOM 0 HB3 ASN A 21 -1.456 24.808 30.397 1.00 11.53 H new ATOM 0 HD21 ASN A 21 0.966 26.835 28.274 1.00 62.35 H new ATOM 0 HD22 ASN A 21 -0.255 27.270 29.474 1.00 62.35 H new ATOM 303 N THR A 22 -4.609 23.021 29.645 1.00 72.34 N ATOM 304 CA THR A 22 -5.903 22.895 30.304 1.00 23.11 C ATOM 305 C THR A 22 -5.861 21.836 31.400 1.00 64.13 C ATOM 306 O THR A 22 -4.985 20.972 31.407 1.00 73.50 O ATOM 307 CB THR A 22 -7.013 22.534 29.299 1.00 21.22 C ATOM 308 OG1 THR A 22 -6.623 22.924 27.978 1.00 54.23 O ATOM 309 CG2 THR A 22 -8.321 23.216 29.670 1.00 32.20 C ATOM 0 H THR A 22 -4.193 22.134 29.360 1.00 72.34 H new ATOM 0 HA THR A 22 -6.127 23.865 30.748 1.00 23.11 H new ATOM 0 HB THR A 22 -7.163 21.455 29.329 1.00 21.22 H new ATOM 0 HG1 THR A 22 -7.270 23.568 27.623 1.00 54.23 H new ATOM 0 HG21 THR A 22 -9.090 22.946 28.946 1.00 32.20 H new ATOM 0 HG22 THR A 22 -8.630 22.894 30.665 1.00 32.20 H new ATOM 0 HG23 THR A 22 -8.182 24.297 29.666 1.00 32.20 H new ATOM 317 N ASN A 23 -6.813 21.909 32.324 1.00 1.10 N ATOM 318 CA ASN A 23 -6.884 20.955 33.425 1.00 12.52 C ATOM 319 C ASN A 23 -8.066 20.007 33.248 1.00 40.12 C ATOM 320 O ASN A 23 -9.180 20.437 32.945 1.00 25.20 O ATOM 321 CB ASN A 23 -7.004 21.694 34.760 1.00 73.12 C ATOM 322 CG ASN A 23 -6.195 22.976 34.786 1.00 40.20 C ATOM 323 OD1 ASN A 23 -4.964 22.909 34.292 1.00 71.40 O flip ATOM 324 ND2 ASN A 23 -6.671 24.015 35.245 1.00 53.13 N flip ATOM 0 H ASN A 23 -7.546 22.618 32.333 1.00 1.10 H new ATOM 0 HA ASN A 23 -5.966 20.367 33.423 1.00 12.52 H new ATOM 0 HB2 ASN A 23 -8.052 21.925 34.951 1.00 73.12 H new ATOM 0 HB3 ASN A 23 -6.670 21.040 35.565 1.00 73.12 H new ATOM 0 HD21 ASN A 23 -7.622 24.021 35.614 1.00 53.13 H new ATOM 0 HD22 ASN A 23 -6.114 24.870 35.256 1.00 53.13 H new ATOM 331 N ILE A 24 -7.815 18.716 33.439 1.00 54.30 N ATOM 332 CA ILE A 24 -8.859 17.708 33.302 1.00 63.41 C ATOM 333 C ILE A 24 -8.671 16.582 34.313 1.00 60.41 C ATOM 334 O ILE A 24 -7.561 16.332 34.779 1.00 25.45 O ATOM 335 CB ILE A 24 -8.881 17.110 31.883 1.00 62.22 C ATOM 336 CG1 ILE A 24 -8.824 18.224 30.836 1.00 64.25 C ATOM 337 CG2 ILE A 24 -10.124 16.255 31.687 1.00 11.14 C ATOM 338 CD1 ILE A 24 -8.694 17.714 29.417 1.00 33.23 C ATOM 0 H ILE A 24 -6.899 18.344 33.689 1.00 54.30 H new ATOM 0 HA ILE A 24 -9.809 18.209 33.491 1.00 63.41 H new ATOM 0 HB ILE A 24 -8.004 16.475 31.759 1.00 62.22 H new ATOM 0 HG12 ILE A 24 -9.726 18.831 30.914 1.00 64.25 H new ATOM 0 HG13 ILE A 24 -7.980 18.877 31.058 1.00 64.25 H new ATOM 0 HG21 ILE A 24 -10.125 15.840 30.679 1.00 11.14 H new ATOM 0 HG22 ILE A 24 -10.125 15.443 32.414 1.00 11.14 H new ATOM 0 HG23 ILE A 24 -11.014 16.869 31.827 1.00 11.14 H new ATOM 0 HD11 ILE A 24 -8.659 18.558 28.729 1.00 33.23 H new ATOM 0 HD12 ILE A 24 -7.778 17.131 29.322 1.00 33.23 H new ATOM 0 HD13 ILE A 24 -9.551 17.085 29.177 1.00 33.23 H new ATOM 350 N ASN A 25 -9.765 15.904 34.646 1.00 61.03 N ATOM 351 CA ASN A 25 -9.721 14.803 35.601 1.00 62.32 C ATOM 352 C ASN A 25 -10.168 13.498 34.948 1.00 0.30 C ATOM 353 O ASN A 25 -11.040 13.493 34.078 1.00 31.44 O ATOM 354 CB ASN A 25 -10.608 15.112 36.809 1.00 63.14 C ATOM 355 CG ASN A 25 -10.344 14.178 37.974 1.00 72.33 C ATOM 356 OD1 ASN A 25 -9.074 14.017 38.328 1.00 5.35 O flip ATOM 357 ND2 ASN A 25 -11.272 13.607 38.548 1.00 54.33 N flip ATOM 0 H ASN A 25 -10.693 16.098 34.268 1.00 61.03 H new ATOM 0 HA ASN A 25 -8.690 14.687 35.936 1.00 62.32 H new ATOM 0 HB2 ASN A 25 -10.439 16.141 37.126 1.00 63.14 H new ATOM 0 HB3 ASN A 25 -11.655 15.036 36.516 1.00 63.14 H new ATOM 0 HD21 ASN A 25 -12.233 13.761 38.242 1.00 54.33 H new ATOM 0 HD22 ASN A 25 -11.080 12.981 39.330 1.00 54.33 H new ATOM 364 N THR A 26 -9.565 12.393 35.374 1.00 60.42 N ATOM 365 CA THR A 26 -9.900 11.082 34.831 1.00 1.03 C ATOM 366 C THR A 26 -9.346 10.913 33.421 1.00 34.00 C ATOM 367 O THR A 26 -8.437 10.116 33.191 1.00 65.43 O ATOM 368 CB THR A 26 -11.424 10.858 34.803 1.00 44.53 C ATOM 369 OG1 THR A 26 -12.024 11.429 35.971 1.00 74.13 O ATOM 370 CG2 THR A 26 -11.752 9.375 34.731 1.00 64.23 C ATOM 0 H THR A 26 -8.842 12.379 36.093 1.00 60.42 H new ATOM 0 HA THR A 26 -9.444 10.342 35.488 1.00 1.03 H new ATOM 0 HB THR A 26 -11.825 11.345 33.914 1.00 44.53 H new ATOM 0 HG1 THR A 26 -12.993 11.284 35.945 1.00 74.13 H new ATOM 0 HG21 THR A 26 -12.834 9.242 34.712 1.00 64.23 H new ATOM 0 HG22 THR A 26 -11.319 8.950 33.826 1.00 64.23 H new ATOM 0 HG23 THR A 26 -11.339 8.868 35.603 1.00 64.23 H new ATOM 378 N THR A 27 -9.900 11.669 32.478 1.00 35.01 N ATOM 379 CA THR A 27 -9.462 11.602 31.090 1.00 55.43 C ATOM 380 C THR A 27 -8.991 12.965 30.596 1.00 2.40 C ATOM 381 O THR A 27 -9.789 13.777 30.127 1.00 4.21 O ATOM 382 CB THR A 27 -10.589 11.097 30.169 1.00 52.32 C ATOM 383 OG1 THR A 27 -11.835 11.695 30.545 1.00 3.12 O ATOM 384 CG2 THR A 27 -10.707 9.582 30.238 1.00 5.24 C ATOM 0 H THR A 27 -10.653 12.335 32.651 1.00 35.01 H new ATOM 0 HA THR A 27 -8.631 10.898 31.055 1.00 55.43 H new ATOM 0 HB THR A 27 -10.345 11.380 29.145 1.00 52.32 H new ATOM 0 HG1 THR A 27 -11.732 12.669 30.582 1.00 3.12 H new ATOM 0 HG21 THR A 27 -11.509 9.249 29.579 1.00 5.24 H new ATOM 0 HG22 THR A 27 -9.767 9.129 29.923 1.00 5.24 H new ATOM 0 HG23 THR A 27 -10.929 9.281 31.262 1.00 5.24 H new ATOM 392 N VAL A 28 -7.689 13.211 30.704 1.00 62.42 N ATOM 393 CA VAL A 28 -7.110 14.475 30.266 1.00 13.43 C ATOM 394 C VAL A 28 -6.533 14.358 28.860 1.00 3.43 C ATOM 395 O VAL A 28 -5.379 13.968 28.683 1.00 71.45 O ATOM 396 CB VAL A 28 -6.003 14.948 31.227 1.00 42.03 C ATOM 397 CG1 VAL A 28 -5.007 13.828 31.486 1.00 21.11 C ATOM 398 CG2 VAL A 28 -5.302 16.177 30.667 1.00 21.15 C ATOM 0 H VAL A 28 -7.015 12.551 31.091 1.00 62.42 H new ATOM 0 HA VAL A 28 -7.916 15.209 30.264 1.00 13.43 H new ATOM 0 HB VAL A 28 -6.462 15.221 32.177 1.00 42.03 H new ATOM 0 HG11 VAL A 28 -4.232 14.180 32.167 1.00 21.11 H new ATOM 0 HG12 VAL A 28 -5.523 12.978 31.932 1.00 21.11 H new ATOM 0 HG13 VAL A 28 -4.551 13.522 30.545 1.00 21.11 H new ATOM 0 HG21 VAL A 28 -4.523 16.498 31.358 1.00 21.15 H new ATOM 0 HG22 VAL A 28 -4.854 15.933 29.704 1.00 21.15 H new ATOM 0 HG23 VAL A 28 -6.026 16.981 30.537 1.00 21.15 H new ATOM 408 N SER A 29 -7.343 14.700 27.863 1.00 3.34 N ATOM 409 CA SER A 29 -6.913 14.631 26.472 1.00 74.35 C ATOM 410 C SER A 29 -6.741 16.029 25.886 1.00 65.33 C ATOM 411 O SER A 29 -7.695 16.802 25.800 1.00 31.41 O ATOM 412 CB SER A 29 -7.927 13.840 25.642 1.00 22.42 C ATOM 413 OG SER A 29 -8.568 12.851 26.429 1.00 75.23 O ATOM 0 H SER A 29 -8.300 15.027 27.993 1.00 3.34 H new ATOM 0 HA SER A 29 -5.950 14.121 26.440 1.00 74.35 H new ATOM 0 HB2 SER A 29 -8.672 14.519 25.228 1.00 22.42 H new ATOM 0 HB3 SER A 29 -7.423 13.368 24.799 1.00 22.42 H new ATOM 0 HG SER A 29 -9.212 12.360 25.877 1.00 75.23 H new ATOM 419 N LYS A 30 -5.515 16.347 25.483 1.00 0.22 N ATOM 420 CA LYS A 30 -5.214 17.651 24.904 1.00 70.01 C ATOM 421 C LYS A 30 -4.829 17.517 23.434 1.00 4.41 C ATOM 422 O LYS A 30 -3.844 16.860 23.099 1.00 21.44 O ATOM 423 CB LYS A 30 -4.082 18.328 25.680 1.00 65.44 C ATOM 424 CG LYS A 30 -4.557 19.425 26.616 1.00 43.22 C ATOM 425 CD LYS A 30 -5.260 20.539 25.858 1.00 61.20 C ATOM 426 CE LYS A 30 -6.744 20.587 26.189 1.00 43.32 C ATOM 427 NZ LYS A 30 -7.443 21.671 25.445 1.00 42.35 N ATOM 0 H LYS A 30 -4.714 15.719 25.547 1.00 0.22 H new ATOM 0 HA LYS A 30 -6.111 18.267 24.972 1.00 70.01 H new ATOM 0 HB2 LYS A 30 -3.548 17.574 26.259 1.00 65.44 H new ATOM 0 HB3 LYS A 30 -3.369 18.750 24.972 1.00 65.44 H new ATOM 0 HG2 LYS A 30 -5.236 19.003 27.357 1.00 43.22 H new ATOM 0 HG3 LYS A 30 -3.706 19.835 27.160 1.00 43.22 H new ATOM 0 HD2 LYS A 30 -4.800 21.496 26.105 1.00 61.20 H new ATOM 0 HD3 LYS A 30 -5.130 20.390 24.786 1.00 61.20 H new ATOM 0 HE2 LYS A 30 -7.201 19.627 25.947 1.00 43.32 H new ATOM 0 HE3 LYS A 30 -6.872 20.741 27.260 1.00 43.32 H new ATOM 0 HZ1 LYS A 30 -8.392 21.347 25.170 1.00 42.35 H new ATOM 0 HZ2 LYS A 30 -7.526 22.511 26.052 1.00 42.35 H new ATOM 0 HZ3 LYS A 30 -6.899 21.913 24.592 1.00 42.35 H new ATOM 441 N GLN A 31 -5.610 18.146 22.562 1.00 13.55 N ATOM 442 CA GLN A 31 -5.349 18.098 21.129 1.00 60.52 C ATOM 443 C GLN A 31 -4.652 19.370 20.659 1.00 61.03 C ATOM 444 O GLN A 31 -5.216 20.462 20.731 1.00 41.02 O ATOM 445 CB GLN A 31 -6.655 17.903 20.357 1.00 34.23 C ATOM 446 CG GLN A 31 -6.686 16.632 19.523 1.00 1.23 C ATOM 447 CD GLN A 31 -5.463 16.485 18.640 1.00 71.44 C ATOM 448 OE1 GLN A 31 -4.906 15.394 18.507 1.00 14.33 O ATOM 449 NE2 GLN A 31 -5.038 17.584 18.028 1.00 2.24 N ATOM 0 H GLN A 31 -6.429 18.695 22.823 1.00 13.55 H new ATOM 0 HA GLN A 31 -4.690 17.252 20.934 1.00 60.52 H new ATOM 0 HB2 GLN A 31 -7.485 17.884 21.063 1.00 34.23 H new ATOM 0 HB3 GLN A 31 -6.812 18.761 19.703 1.00 34.23 H new ATOM 0 HG2 GLN A 31 -6.758 15.769 20.185 1.00 1.23 H new ATOM 0 HG3 GLN A 31 -7.581 16.632 18.901 1.00 1.23 H new ATOM 0 HE21 GLN A 31 -5.529 18.467 18.166 1.00 2.24 H new ATOM 0 HE22 GLN A 31 -4.220 17.545 17.420 1.00 2.24 H new ATOM 458 N PHE A 32 -3.422 19.222 20.178 1.00 70.34 N ATOM 459 CA PHE A 32 -2.647 20.360 19.697 1.00 61.52 C ATOM 460 C PHE A 32 -2.427 20.270 18.189 1.00 31.15 C ATOM 461 O PHE A 32 -2.802 19.285 17.554 1.00 73.35 O ATOM 462 CB PHE A 32 -1.299 20.426 20.417 1.00 4.11 C ATOM 463 CG PHE A 32 -0.332 19.363 19.979 1.00 42.51 C ATOM 464 CD1 PHE A 32 0.469 19.554 18.864 1.00 30.23 C ATOM 465 CD2 PHE A 32 -0.224 18.174 20.681 1.00 31.13 C ATOM 466 CE1 PHE A 32 1.360 18.578 18.459 1.00 41.15 C ATOM 467 CE2 PHE A 32 0.665 17.195 20.281 1.00 63.04 C ATOM 468 CZ PHE A 32 1.457 17.397 19.167 1.00 25.32 C ATOM 0 H PHE A 32 -2.941 18.325 20.111 1.00 70.34 H new ATOM 0 HA PHE A 32 -3.211 21.268 19.911 1.00 61.52 H new ATOM 0 HB2 PHE A 32 -0.852 21.405 20.245 1.00 4.11 H new ATOM 0 HB3 PHE A 32 -1.465 20.335 21.490 1.00 4.11 H new ATOM 0 HD1 PHE A 32 0.396 20.476 18.306 1.00 30.23 H new ATOM 0 HD2 PHE A 32 -0.842 18.010 21.551 1.00 31.13 H new ATOM 0 HE1 PHE A 32 1.980 18.739 17.589 1.00 41.15 H new ATOM 0 HE2 PHE A 32 0.741 16.273 20.838 1.00 63.04 H new ATOM 0 HZ PHE A 32 2.151 16.632 18.851 1.00 25.32 H new ATOM 478 N PHE A 33 -1.817 21.306 17.624 1.00 41.10 N ATOM 479 CA PHE A 33 -1.548 21.346 16.191 1.00 10.33 C ATOM 480 C PHE A 33 -0.047 21.395 15.921 1.00 71.32 C ATOM 481 O PHE A 33 0.700 22.073 16.625 1.00 13.32 O ATOM 482 CB PHE A 33 -2.231 22.559 15.556 1.00 15.24 C ATOM 483 CG PHE A 33 -2.990 22.232 14.302 1.00 64.51 C ATOM 484 CD1 PHE A 33 -4.267 21.699 14.368 1.00 52.54 C ATOM 485 CD2 PHE A 33 -2.424 22.455 13.057 1.00 53.13 C ATOM 486 CE1 PHE A 33 -4.968 21.397 13.215 1.00 2.21 C ATOM 487 CE2 PHE A 33 -3.120 22.155 11.901 1.00 52.21 C ATOM 488 CZ PHE A 33 -4.393 21.624 11.980 1.00 1.51 C ATOM 0 H PHE A 33 -1.499 22.129 18.136 1.00 41.10 H new ATOM 0 HA PHE A 33 -1.951 20.436 15.746 1.00 10.33 H new ATOM 0 HB2 PHE A 33 -2.915 23.001 16.280 1.00 15.24 H new ATOM 0 HB3 PHE A 33 -1.477 23.313 15.329 1.00 15.24 H new ATOM 0 HD1 PHE A 33 -4.720 21.517 15.331 1.00 52.54 H new ATOM 0 HD2 PHE A 33 -1.428 22.868 12.989 1.00 53.13 H new ATOM 0 HE1 PHE A 33 -5.964 20.984 13.280 1.00 2.21 H new ATOM 0 HE2 PHE A 33 -2.669 22.336 10.937 1.00 52.21 H new ATOM 0 HZ PHE A 33 -4.937 21.387 11.078 1.00 1.51 H new ATOM 498 N ALA A 34 0.387 20.669 14.895 1.00 10.14 N ATOM 499 CA ALA A 34 1.798 20.630 14.530 1.00 35.22 C ATOM 500 C ALA A 34 1.973 20.626 13.015 1.00 15.14 C ATOM 501 O ALA A 34 1.653 19.644 12.346 1.00 72.22 O ATOM 502 CB ALA A 34 2.468 19.409 15.144 1.00 52.51 C ATOM 0 H ALA A 34 -0.218 20.100 14.303 1.00 10.14 H new ATOM 0 HA ALA A 34 2.275 21.528 14.922 1.00 35.22 H new ATOM 0 HB1 ALA A 34 3.521 19.392 14.863 1.00 52.51 H new ATOM 0 HB2 ALA A 34 2.382 19.454 16.230 1.00 52.51 H new ATOM 0 HB3 ALA A 34 1.981 18.505 14.779 1.00 52.51 H new ATOM 508 N VAL A 35 2.482 21.731 12.480 1.00 14.34 N ATOM 509 CA VAL A 35 2.699 21.855 11.044 1.00 5.20 C ATOM 510 C VAL A 35 4.179 22.039 10.726 1.00 2.25 C ATOM 511 O VAL A 35 4.887 22.769 11.419 1.00 43.45 O ATOM 512 CB VAL A 35 1.908 23.039 10.456 1.00 24.14 C ATOM 513 CG1 VAL A 35 0.432 22.692 10.345 1.00 72.33 C ATOM 514 CG2 VAL A 35 2.109 24.286 11.304 1.00 53.20 C ATOM 0 H VAL A 35 2.752 22.553 13.020 1.00 14.34 H new ATOM 0 HA VAL A 35 2.344 20.930 10.590 1.00 5.20 H new ATOM 0 HB VAL A 35 2.284 23.244 9.454 1.00 24.14 H new ATOM 0 HG11 VAL A 35 -0.111 23.540 9.928 1.00 72.33 H new ATOM 0 HG12 VAL A 35 0.310 21.827 9.693 1.00 72.33 H new ATOM 0 HG13 VAL A 35 0.037 22.460 11.334 1.00 72.33 H new ATOM 0 HG21 VAL A 35 1.543 25.113 10.875 1.00 53.20 H new ATOM 0 HG22 VAL A 35 1.760 24.096 12.319 1.00 53.20 H new ATOM 0 HG23 VAL A 35 3.168 24.544 11.327 1.00 53.20 H new ATOM 524 N GLY A 36 4.641 21.371 9.673 1.00 15.43 N ATOM 525 CA GLY A 36 6.034 21.475 9.282 1.00 60.24 C ATOM 526 C GLY A 36 6.226 22.326 8.042 1.00 22.01 C ATOM 527 O GLY A 36 5.518 22.160 7.049 1.00 74.43 O ATOM 0 H GLY A 36 4.075 20.760 9.084 1.00 15.43 H new ATOM 0 HA2 GLY A 36 6.608 21.902 10.104 1.00 60.24 H new ATOM 0 HA3 GLY A 36 6.432 20.477 9.099 1.00 60.24 H new ATOM 531 N THR A 37 7.187 23.243 8.099 1.00 10.20 N ATOM 532 CA THR A 37 7.469 24.126 6.974 1.00 35.10 C ATOM 533 C THR A 37 8.799 23.774 6.319 1.00 4.40 C ATOM 534 O THR A 37 9.854 23.857 6.950 1.00 53.25 O ATOM 535 CB THR A 37 7.499 25.602 7.412 1.00 1.32 C ATOM 536 OG1 THR A 37 6.397 25.877 8.285 1.00 43.34 O ATOM 537 CG2 THR A 37 7.440 26.526 6.205 1.00 12.43 C ATOM 0 H THR A 37 7.783 23.393 8.913 1.00 10.20 H new ATOM 0 HA THR A 37 6.664 23.986 6.253 1.00 35.10 H new ATOM 0 HB THR A 37 8.435 25.782 7.942 1.00 1.32 H new ATOM 0 HG1 THR A 37 6.424 26.817 8.560 1.00 43.34 H new ATOM 0 HG21 THR A 37 7.462 27.563 6.539 1.00 12.43 H new ATOM 0 HG22 THR A 37 8.296 26.335 5.558 1.00 12.43 H new ATOM 0 HG23 THR A 37 6.519 26.343 5.651 1.00 12.43 H new ATOM 545 N TYR A 38 8.744 23.383 5.051 1.00 30.40 N ATOM 546 CA TYR A 38 9.946 23.017 4.311 1.00 72.31 C ATOM 547 C TYR A 38 10.671 24.259 3.802 1.00 63.40 C ATOM 548 O TYR A 38 10.044 25.258 3.452 1.00 50.03 O ATOM 549 CB TYR A 38 9.589 22.104 3.137 1.00 72.14 C ATOM 550 CG TYR A 38 9.019 20.768 3.559 1.00 3.42 C ATOM 551 CD1 TYR A 38 7.676 20.636 3.886 1.00 35.11 C ATOM 552 CD2 TYR A 38 9.825 19.639 3.630 1.00 23.25 C ATOM 553 CE1 TYR A 38 7.151 19.418 4.273 1.00 24.13 C ATOM 554 CE2 TYR A 38 9.309 18.416 4.015 1.00 4.43 C ATOM 555 CZ TYR A 38 7.972 18.311 4.336 1.00 1.12 C ATOM 556 OH TYR A 38 7.453 17.096 4.720 1.00 25.31 O ATOM 0 H TYR A 38 7.880 23.311 4.514 1.00 30.40 H new ATOM 0 HA TYR A 38 10.611 22.482 4.989 1.00 72.31 H new ATOM 0 HB2 TYR A 38 8.866 22.613 2.499 1.00 72.14 H new ATOM 0 HB3 TYR A 38 10.482 21.935 2.535 1.00 72.14 H new ATOM 0 HD1 TYR A 38 7.031 21.501 3.837 1.00 35.11 H new ATOM 0 HD2 TYR A 38 10.873 19.718 3.380 1.00 23.25 H new ATOM 0 HE1 TYR A 38 6.104 19.333 4.525 1.00 24.13 H new ATOM 0 HE2 TYR A 38 9.949 17.548 4.064 1.00 4.43 H new ATOM 0 HH TYR A 38 8.162 16.420 4.711 1.00 25.31 H new ATOM 566 N SER A 39 11.998 24.187 3.764 1.00 61.32 N ATOM 567 CA SER A 39 12.811 25.305 3.301 1.00 42.11 C ATOM 568 C SER A 39 12.454 25.679 1.866 1.00 54.43 C ATOM 569 O SER A 39 12.708 26.800 1.423 1.00 61.52 O ATOM 570 CB SER A 39 14.298 24.955 3.393 1.00 14.25 C ATOM 571 OG SER A 39 14.800 24.529 2.139 1.00 44.31 O ATOM 0 H SER A 39 12.533 23.366 4.048 1.00 61.32 H new ATOM 0 HA SER A 39 12.606 26.161 3.944 1.00 42.11 H new ATOM 0 HB2 SER A 39 14.859 25.824 3.736 1.00 14.25 H new ATOM 0 HB3 SER A 39 14.445 24.168 4.133 1.00 14.25 H new ATOM 0 HG SER A 39 15.752 24.313 2.224 1.00 44.31 H new ATOM 577 N ASP A 40 11.862 24.733 1.144 1.00 3.53 N ATOM 578 CA ASP A 40 11.468 24.962 -0.241 1.00 1.51 C ATOM 579 C ASP A 40 10.293 25.932 -0.318 1.00 51.02 C ATOM 580 O ASP A 40 9.937 26.407 -1.396 1.00 1.54 O ATOM 581 CB ASP A 40 11.099 23.640 -0.914 1.00 20.52 C ATOM 582 CG ASP A 40 12.279 22.999 -1.618 1.00 1.20 C ATOM 583 OD1 ASP A 40 13.243 22.608 -0.926 1.00 13.30 O ATOM 584 OD2 ASP A 40 12.239 22.888 -2.861 1.00 13.10 O ATOM 0 H ASP A 40 11.645 23.800 1.495 1.00 3.53 H new ATOM 0 HA ASP A 40 12.315 25.403 -0.766 1.00 1.51 H new ATOM 0 HB2 ASP A 40 10.709 22.951 -0.165 1.00 20.52 H new ATOM 0 HB3 ASP A 40 10.300 23.813 -1.635 1.00 20.52 H new ATOM 589 N GLY A 41 9.693 26.220 0.833 1.00 51.10 N ATOM 590 CA GLY A 41 8.563 27.130 0.873 1.00 4.43 C ATOM 591 C GLY A 41 7.233 26.405 0.849 1.00 32.30 C ATOM 592 O GLY A 41 6.321 26.788 0.116 1.00 74.24 O ATOM 0 H GLY A 41 9.969 25.840 1.738 1.00 51.10 H new ATOM 0 HA2 GLY A 41 8.624 27.741 1.774 1.00 4.43 H new ATOM 0 HA3 GLY A 41 8.618 27.810 0.023 1.00 4.43 H new ATOM 596 N THR A 42 7.120 25.351 1.652 1.00 2.11 N ATOM 597 CA THR A 42 5.893 24.568 1.718 1.00 52.01 C ATOM 598 C THR A 42 5.455 24.352 3.162 1.00 11.51 C ATOM 599 O THR A 42 6.199 24.645 4.098 1.00 3.30 O ATOM 600 CB THR A 42 6.063 23.198 1.035 1.00 24.22 C ATOM 601 OG1 THR A 42 7.328 23.138 0.366 1.00 52.02 O ATOM 602 CG2 THR A 42 4.943 22.947 0.037 1.00 1.40 C ATOM 0 H THR A 42 7.864 25.020 2.266 1.00 2.11 H new ATOM 0 HA THR A 42 5.127 25.136 1.190 1.00 52.01 H new ATOM 0 HB THR A 42 6.022 22.426 1.804 1.00 24.22 H new ATOM 0 HG1 THR A 42 7.429 22.263 -0.064 1.00 52.02 H new ATOM 0 HG21 THR A 42 5.085 21.973 -0.432 1.00 1.40 H new ATOM 0 HG22 THR A 42 3.984 22.964 0.555 1.00 1.40 H new ATOM 0 HG23 THR A 42 4.956 23.724 -0.728 1.00 1.40 H new ATOM 610 N LYS A 43 4.242 23.838 3.337 1.00 25.02 N ATOM 611 CA LYS A 43 3.705 23.581 4.668 1.00 71.41 C ATOM 612 C LYS A 43 2.781 22.367 4.656 1.00 13.21 C ATOM 613 O LYS A 43 1.856 22.288 3.848 1.00 31.42 O ATOM 614 CB LYS A 43 2.947 24.807 5.180 1.00 12.42 C ATOM 615 CG LYS A 43 3.443 25.311 6.525 1.00 55.03 C ATOM 616 CD LYS A 43 3.331 26.823 6.629 1.00 23.24 C ATOM 617 CE LYS A 43 2.078 27.239 7.385 1.00 62.54 C ATOM 618 NZ LYS A 43 1.653 28.622 7.035 1.00 42.20 N ATOM 0 H LYS A 43 3.612 23.591 2.573 1.00 25.02 H new ATOM 0 HA LYS A 43 4.541 23.373 5.336 1.00 71.41 H new ATOM 0 HB2 LYS A 43 3.033 25.609 4.447 1.00 12.42 H new ATOM 0 HB3 LYS A 43 1.888 24.561 5.261 1.00 12.42 H new ATOM 0 HG2 LYS A 43 2.865 24.847 7.324 1.00 55.03 H new ATOM 0 HG3 LYS A 43 4.481 25.011 6.667 1.00 55.03 H new ATOM 0 HD2 LYS A 43 4.211 27.220 7.135 1.00 23.24 H new ATOM 0 HD3 LYS A 43 3.315 27.257 5.629 1.00 23.24 H new ATOM 0 HE2 LYS A 43 1.270 26.543 7.160 1.00 62.54 H new ATOM 0 HE3 LYS A 43 2.263 27.176 8.457 1.00 62.54 H new ATOM 0 HZ1 LYS A 43 0.796 28.868 7.571 1.00 42.20 H new ATOM 0 HZ2 LYS A 43 2.414 29.290 7.273 1.00 42.20 H new ATOM 0 HZ3 LYS A 43 1.452 28.676 6.016 1.00 42.20 H new ATOM 632 N ALA A 44 3.037 21.425 5.558 1.00 13.31 N ATOM 633 CA ALA A 44 2.225 20.218 5.653 1.00 4.12 C ATOM 634 C ALA A 44 1.812 19.946 7.096 1.00 43.53 C ATOM 635 O ALA A 44 2.651 19.914 7.996 1.00 24.01 O ATOM 636 CB ALA A 44 2.983 19.027 5.086 1.00 23.10 C ATOM 0 H ALA A 44 3.800 21.474 6.233 1.00 13.31 H new ATOM 0 HA ALA A 44 1.319 20.372 5.066 1.00 4.12 H new ATOM 0 HB1 ALA A 44 2.365 18.132 5.163 1.00 23.10 H new ATOM 0 HB2 ALA A 44 3.223 19.213 4.039 1.00 23.10 H new ATOM 0 HB3 ALA A 44 3.905 18.881 5.649 1.00 23.10 H new ATOM 642 N ASP A 45 0.515 19.753 7.308 1.00 24.22 N ATOM 643 CA ASP A 45 -0.009 19.484 8.642 1.00 30.41 C ATOM 644 C ASP A 45 0.321 18.060 9.079 1.00 63.23 C ATOM 645 O ASP A 45 -0.540 17.179 9.066 1.00 12.54 O ATOM 646 CB ASP A 45 -1.523 19.701 8.672 1.00 43.23 C ATOM 647 CG ASP A 45 -1.953 20.894 7.840 1.00 25.32 C ATOM 648 OD1 ASP A 45 -2.181 20.719 6.625 1.00 73.42 O ATOM 649 OD2 ASP A 45 -2.061 22.002 8.405 1.00 51.00 O ATOM 0 H ASP A 45 -0.193 19.778 6.574 1.00 24.22 H new ATOM 0 HA ASP A 45 0.464 20.177 9.337 1.00 30.41 H new ATOM 0 HB2 ASP A 45 -2.023 18.805 8.303 1.00 43.23 H new ATOM 0 HB3 ASP A 45 -1.846 19.845 9.703 1.00 43.23 H new ATOM 654 N LEU A 46 1.574 17.840 9.463 1.00 12.02 N ATOM 655 CA LEU A 46 2.019 16.522 9.903 1.00 1.30 C ATOM 656 C LEU A 46 2.681 16.601 11.275 1.00 44.12 C ATOM 657 O LEU A 46 3.638 17.351 11.473 1.00 62.33 O ATOM 658 CB LEU A 46 2.995 15.926 8.887 1.00 55.35 C ATOM 659 CG LEU A 46 2.665 16.176 7.414 1.00 24.23 C ATOM 660 CD1 LEU A 46 3.763 15.621 6.520 1.00 24.24 C ATOM 661 CD2 LEU A 46 1.321 15.559 7.056 1.00 0.14 C ATOM 0 H LEU A 46 2.299 18.557 9.479 1.00 12.02 H new ATOM 0 HA LEU A 46 1.144 15.877 9.979 1.00 1.30 H new ATOM 0 HB2 LEU A 46 3.989 16.326 9.089 1.00 55.35 H new ATOM 0 HB3 LEU A 46 3.046 14.849 9.050 1.00 55.35 H new ATOM 0 HG LEU A 46 2.602 17.252 7.253 1.00 24.23 H new ATOM 0 HD11 LEU A 46 3.511 15.808 5.476 1.00 24.24 H new ATOM 0 HD12 LEU A 46 4.708 16.109 6.758 1.00 24.24 H new ATOM 0 HD13 LEU A 46 3.858 14.548 6.684 1.00 24.24 H new ATOM 0 HD21 LEU A 46 1.103 15.747 6.005 1.00 0.14 H new ATOM 0 HD22 LEU A 46 1.355 14.484 7.233 1.00 0.14 H new ATOM 0 HD23 LEU A 46 0.541 16.004 7.673 1.00 0.14 H new ATOM 673 N THR A 47 2.167 15.821 12.220 1.00 23.43 N ATOM 674 CA THR A 47 2.709 15.801 13.573 1.00 31.02 C ATOM 675 C THR A 47 3.500 14.523 13.830 1.00 13.33 C ATOM 676 O THR A 47 4.397 14.496 14.672 1.00 4.41 O ATOM 677 CB THR A 47 1.592 15.921 14.627 1.00 21.12 C ATOM 678 OG1 THR A 47 0.801 17.087 14.372 1.00 74.41 O ATOM 679 CG2 THR A 47 2.177 15.996 16.029 1.00 2.14 C ATOM 0 H THR A 47 1.376 15.194 12.073 1.00 23.43 H new ATOM 0 HA THR A 47 3.374 16.660 13.660 1.00 31.02 H new ATOM 0 HB THR A 47 0.963 15.034 14.560 1.00 21.12 H new ATOM 0 HG1 THR A 47 0.037 17.104 14.985 1.00 74.41 H new ATOM 0 HG21 THR A 47 1.369 16.080 16.756 1.00 2.14 H new ATOM 0 HG22 THR A 47 2.754 15.094 16.231 1.00 2.14 H new ATOM 0 HG23 THR A 47 2.827 16.868 16.106 1.00 2.14 H new ATOM 687 N SER A 48 3.161 13.466 13.099 1.00 10.05 N ATOM 688 CA SER A 48 3.838 12.183 13.251 1.00 10.41 C ATOM 689 C SER A 48 5.316 12.304 12.893 1.00 22.25 C ATOM 690 O SER A 48 6.118 11.427 13.216 1.00 13.02 O ATOM 691 CB SER A 48 3.173 11.124 12.370 1.00 50.44 C ATOM 692 OG SER A 48 3.632 11.213 11.032 1.00 54.22 O ATOM 0 H SER A 48 2.422 13.472 12.396 1.00 10.05 H new ATOM 0 HA SER A 48 3.758 11.879 14.295 1.00 10.41 H new ATOM 0 HB2 SER A 48 3.386 10.131 12.766 1.00 50.44 H new ATOM 0 HB3 SER A 48 2.091 11.252 12.396 1.00 50.44 H new ATOM 0 HG SER A 48 3.194 10.525 10.489 1.00 54.22 H new ATOM 698 N SER A 49 5.670 13.397 12.224 1.00 34.44 N ATOM 699 CA SER A 49 7.050 13.631 11.819 1.00 44.53 C ATOM 700 C SER A 49 7.886 14.126 12.996 1.00 71.42 C ATOM 701 O SER A 49 9.116 14.098 12.954 1.00 30.41 O ATOM 702 CB SER A 49 7.103 14.650 10.678 1.00 30.22 C ATOM 703 OG SER A 49 5.806 14.918 10.174 1.00 62.34 O ATOM 0 H SER A 49 5.020 14.134 11.951 1.00 34.44 H new ATOM 0 HA SER A 49 7.466 12.685 11.473 1.00 44.53 H new ATOM 0 HB2 SER A 49 7.557 15.575 11.033 1.00 30.22 H new ATOM 0 HB3 SER A 49 7.737 14.271 9.877 1.00 30.22 H new ATOM 0 HG SER A 49 5.877 15.302 9.275 1.00 62.34 H new ATOM 709 N VAL A 50 7.208 14.578 14.046 1.00 41.42 N ATOM 710 CA VAL A 50 7.886 15.078 15.236 1.00 41.22 C ATOM 711 C VAL A 50 7.967 14.004 16.314 1.00 33.24 C ATOM 712 O VAL A 50 7.237 13.013 16.276 1.00 73.32 O ATOM 713 CB VAL A 50 7.171 16.315 15.811 1.00 2.23 C ATOM 714 CG1 VAL A 50 6.747 17.255 14.693 1.00 4.42 C ATOM 715 CG2 VAL A 50 5.973 15.896 16.649 1.00 31.32 C ATOM 0 H VAL A 50 6.190 14.608 14.097 1.00 41.42 H new ATOM 0 HA VAL A 50 8.894 15.359 14.932 1.00 41.22 H new ATOM 0 HB VAL A 50 7.869 16.849 16.457 1.00 2.23 H new ATOM 0 HG11 VAL A 50 6.244 18.123 15.119 1.00 4.42 H new ATOM 0 HG12 VAL A 50 7.627 17.582 14.139 1.00 4.42 H new ATOM 0 HG13 VAL A 50 6.066 16.735 14.019 1.00 4.42 H new ATOM 0 HG21 VAL A 50 5.480 16.783 17.047 1.00 31.32 H new ATOM 0 HG22 VAL A 50 5.272 15.339 16.028 1.00 31.32 H new ATOM 0 HG23 VAL A 50 6.308 15.266 17.473 1.00 31.32 H new ATOM 725 N THR A 51 8.859 14.207 17.279 1.00 64.44 N ATOM 726 CA THR A 51 9.037 13.255 18.368 1.00 14.45 C ATOM 727 C THR A 51 8.400 13.768 19.655 1.00 52.40 C ATOM 728 O THR A 51 8.508 14.950 19.984 1.00 25.41 O ATOM 729 CB THR A 51 10.528 12.968 18.626 1.00 33.14 C ATOM 730 OG1 THR A 51 11.257 13.020 17.395 1.00 32.00 O ATOM 731 CG2 THR A 51 10.712 11.603 19.273 1.00 12.42 C ATOM 0 H THR A 51 9.469 15.023 17.328 1.00 64.44 H new ATOM 0 HA THR A 51 8.545 12.331 18.064 1.00 14.45 H new ATOM 0 HB THR A 51 10.910 13.730 19.306 1.00 33.14 H new ATOM 0 HG1 THR A 51 12.204 12.838 17.568 1.00 32.00 H new ATOM 0 HG21 THR A 51 11.773 11.422 19.446 1.00 12.42 H new ATOM 0 HG22 THR A 51 10.180 11.576 20.224 1.00 12.42 H new ATOM 0 HG23 THR A 51 10.315 10.831 18.613 1.00 12.42 H new ATOM 739 N TRP A 52 7.736 12.874 20.378 1.00 24.14 N ATOM 740 CA TRP A 52 7.082 13.237 21.630 1.00 3.25 C ATOM 741 C TRP A 52 7.759 12.557 22.815 1.00 2.25 C ATOM 742 O TRP A 52 8.036 11.358 22.780 1.00 44.43 O ATOM 743 CB TRP A 52 5.602 12.856 21.586 1.00 53.24 C ATOM 744 CG TRP A 52 4.963 13.111 20.254 1.00 70.22 C ATOM 745 CD1 TRP A 52 4.158 14.162 19.918 1.00 20.14 C ATOM 746 CD2 TRP A 52 5.075 12.298 19.080 1.00 13.04 C ATOM 747 NE1 TRP A 52 3.763 14.051 18.607 1.00 15.41 N ATOM 748 CE2 TRP A 52 4.312 12.917 18.071 1.00 41.13 C ATOM 749 CE3 TRP A 52 5.746 11.109 18.784 1.00 41.02 C ATOM 750 CZ2 TRP A 52 4.203 12.385 16.789 1.00 41.03 C ATOM 751 CZ3 TRP A 52 5.637 10.582 17.511 1.00 12.00 C ATOM 752 CH2 TRP A 52 4.871 11.220 16.526 1.00 31.20 C ATOM 0 H TRP A 52 7.636 11.892 20.119 1.00 24.14 H new ATOM 0 HA TRP A 52 7.168 14.316 21.756 1.00 3.25 H new ATOM 0 HB2 TRP A 52 5.498 11.800 21.835 1.00 53.24 H new ATOM 0 HB3 TRP A 52 5.067 13.418 22.351 1.00 53.24 H new ATOM 0 HD1 TRP A 52 3.874 14.963 20.585 1.00 20.14 H new ATOM 0 HE1 TRP A 52 3.158 14.707 18.113 1.00 15.41 H new ATOM 0 HE3 TRP A 52 6.339 10.611 19.536 1.00 41.02 H new ATOM 0 HZ2 TRP A 52 3.612 12.874 16.029 1.00 41.03 H new ATOM 0 HZ3 TRP A 52 6.151 9.663 17.271 1.00 12.00 H new ATOM 0 HH2 TRP A 52 4.807 10.784 15.540 1.00 31.20 H new ATOM 763 N SER A 53 8.023 13.330 23.864 1.00 34.14 N ATOM 764 CA SER A 53 8.671 12.802 25.059 1.00 34.13 C ATOM 765 C SER A 53 8.126 13.475 26.315 1.00 12.23 C ATOM 766 O SER A 53 8.226 14.692 26.474 1.00 21.30 O ATOM 767 CB SER A 53 10.185 13.003 24.975 1.00 11.00 C ATOM 768 OG SER A 53 10.853 11.769 24.775 1.00 11.32 O ATOM 0 H SER A 53 7.798 14.324 23.910 1.00 34.14 H new ATOM 0 HA SER A 53 8.456 11.735 25.117 1.00 34.13 H new ATOM 0 HB2 SER A 53 10.420 13.684 24.157 1.00 11.00 H new ATOM 0 HB3 SER A 53 10.544 13.470 25.892 1.00 11.00 H new ATOM 0 HG SER A 53 11.819 11.925 24.723 1.00 11.32 H new ATOM 774 N SER A 54 7.549 12.674 27.205 1.00 14.34 N ATOM 775 CA SER A 54 6.984 13.192 28.446 1.00 32.22 C ATOM 776 C SER A 54 7.736 12.644 29.655 1.00 33.13 C ATOM 777 O SER A 54 8.151 11.485 29.669 1.00 12.13 O ATOM 778 CB SER A 54 5.501 12.829 28.546 1.00 12.54 C ATOM 779 OG SER A 54 5.163 12.425 29.862 1.00 74.44 O ATOM 0 H SER A 54 7.460 11.664 27.090 1.00 14.34 H new ATOM 0 HA SER A 54 7.085 14.277 28.438 1.00 32.22 H new ATOM 0 HB2 SER A 54 4.893 13.687 28.258 1.00 12.54 H new ATOM 0 HB3 SER A 54 5.272 12.026 27.845 1.00 12.54 H new ATOM 0 HG SER A 54 4.195 12.507 29.991 1.00 74.44 H new ATOM 785 N SER A 55 7.907 13.486 30.669 1.00 3.31 N ATOM 786 CA SER A 55 8.612 13.089 31.882 1.00 4.01 C ATOM 787 C SER A 55 8.040 11.790 32.442 1.00 3.45 C ATOM 788 O SER A 55 8.627 10.721 32.282 1.00 73.00 O ATOM 789 CB SER A 55 8.523 14.195 32.935 1.00 14.30 C ATOM 790 OG SER A 55 9.360 15.288 32.599 1.00 10.13 O ATOM 0 H SER A 55 7.567 14.448 30.675 1.00 3.31 H new ATOM 0 HA SER A 55 9.659 12.925 31.627 1.00 4.01 H new ATOM 0 HB2 SER A 55 7.491 14.536 33.022 1.00 14.30 H new ATOM 0 HB3 SER A 55 8.811 13.798 33.909 1.00 14.30 H new ATOM 0 HG SER A 55 9.284 15.982 33.287 1.00 10.13 H new ATOM 796 N ASN A 56 6.890 11.893 33.101 1.00 4.30 N ATOM 797 CA ASN A 56 6.238 10.728 33.686 1.00 30.35 C ATOM 798 C ASN A 56 5.794 9.751 32.602 1.00 60.11 C ATOM 799 O ASN A 56 4.903 10.053 31.809 1.00 74.31 O ATOM 800 CB ASN A 56 5.033 11.159 34.524 1.00 14.23 C ATOM 801 CG ASN A 56 4.261 12.297 33.884 1.00 73.41 C ATOM 802 OD1 ASN A 56 3.739 13.196 34.710 1.00 4.51 O flip ATOM 803 ND2 ASN A 56 4.135 12.365 32.661 1.00 51.13 N flip ATOM 0 H ASN A 56 6.391 12.771 33.243 1.00 4.30 H new ATOM 0 HA ASN A 56 6.959 10.225 34.330 1.00 30.35 H new ATOM 0 HB2 ASN A 56 4.368 10.307 34.665 1.00 14.23 H new ATOM 0 HB3 ASN A 56 5.373 11.465 35.513 1.00 14.23 H new ATOM 0 HD21 ASN A 56 4.554 11.651 32.065 1.00 51.13 H new ATOM 0 HD22 ASN A 56 3.612 13.135 32.244 1.00 51.13 H new ATOM 810 N GLN A 57 6.422 8.580 32.575 1.00 71.20 N ATOM 811 CA GLN A 57 6.091 7.559 31.588 1.00 64.22 C ATOM 812 C GLN A 57 4.633 7.132 31.714 1.00 73.31 C ATOM 813 O GLN A 57 4.036 6.636 30.758 1.00 11.21 O ATOM 814 CB GLN A 57 7.007 6.344 31.753 1.00 52.52 C ATOM 815 CG GLN A 57 8.119 6.276 30.719 1.00 71.03 C ATOM 816 CD GLN A 57 7.685 5.587 29.440 1.00 50.33 C ATOM 817 OE1 GLN A 57 7.434 4.382 29.424 1.00 24.24 O ATOM 818 NE2 GLN A 57 7.594 6.351 28.357 1.00 15.14 N ATOM 0 H GLN A 57 7.162 8.315 33.225 1.00 71.20 H new ATOM 0 HA GLN A 57 6.241 7.986 30.596 1.00 64.22 H new ATOM 0 HB2 GLN A 57 7.449 6.365 32.749 1.00 52.52 H new ATOM 0 HB3 GLN A 57 6.407 5.436 31.690 1.00 52.52 H new ATOM 0 HG2 GLN A 57 8.456 7.286 30.487 1.00 71.03 H new ATOM 0 HG3 GLN A 57 8.972 5.745 31.142 1.00 71.03 H new ATOM 0 HE21 GLN A 57 7.811 7.346 28.415 1.00 15.14 H new ATOM 0 HE22 GLN A 57 7.307 5.943 27.468 1.00 15.14 H new ATOM 827 N SER A 58 4.064 7.327 32.900 1.00 64.25 N ATOM 828 CA SER A 58 2.676 6.958 33.152 1.00 64.10 C ATOM 829 C SER A 58 1.727 7.818 32.324 1.00 15.23 C ATOM 830 O SER A 58 0.780 7.312 31.722 1.00 45.14 O ATOM 831 CB SER A 58 2.350 7.104 34.639 1.00 1.25 C ATOM 832 OG SER A 58 1.642 5.975 35.120 1.00 61.42 O ATOM 0 H SER A 58 4.543 7.738 33.701 1.00 64.25 H new ATOM 0 HA SER A 58 2.543 5.917 32.859 1.00 64.10 H new ATOM 0 HB2 SER A 58 3.273 7.227 35.206 1.00 1.25 H new ATOM 0 HB3 SER A 58 1.756 8.004 34.797 1.00 1.25 H new ATOM 0 HG SER A 58 1.447 6.093 36.073 1.00 61.42 H new ATOM 838 N GLN A 59 1.987 9.121 32.301 1.00 12.41 N ATOM 839 CA GLN A 59 1.155 10.053 31.548 1.00 31.33 C ATOM 840 C GLN A 59 1.775 10.361 30.190 1.00 44.32 C ATOM 841 O GLN A 59 1.214 11.117 29.397 1.00 33.32 O ATOM 842 CB GLN A 59 0.959 11.348 32.339 1.00 73.44 C ATOM 843 CG GLN A 59 0.368 11.132 33.722 1.00 14.25 C ATOM 844 CD GLN A 59 1.080 11.935 34.793 1.00 50.21 C ATOM 845 OE1 GLN A 59 0.968 13.160 34.844 1.00 14.32 O ATOM 846 NE2 GLN A 59 1.819 11.248 35.656 1.00 71.52 N ATOM 0 H GLN A 59 2.767 9.555 32.795 1.00 12.41 H new ATOM 0 HA GLN A 59 0.184 9.585 31.385 1.00 31.33 H new ATOM 0 HB2 GLN A 59 1.920 11.852 32.438 1.00 73.44 H new ATOM 0 HB3 GLN A 59 0.307 12.014 31.774 1.00 73.44 H new ATOM 0 HG2 GLN A 59 -0.687 11.406 33.709 1.00 14.25 H new ATOM 0 HG3 GLN A 59 0.419 10.073 33.973 1.00 14.25 H new ATOM 0 HE21 GLN A 59 1.884 10.233 35.577 1.00 71.52 H new ATOM 0 HE22 GLN A 59 2.322 11.735 36.398 1.00 71.52 H new ATOM 855 N ALA A 60 2.938 9.772 29.928 1.00 35.00 N ATOM 856 CA ALA A 60 3.633 9.983 28.665 1.00 65.23 C ATOM 857 C ALA A 60 2.987 9.180 27.541 1.00 31.21 C ATOM 858 O ALA A 60 3.627 8.328 26.924 1.00 1.04 O ATOM 859 CB ALA A 60 5.103 9.612 28.803 1.00 34.13 C ATOM 0 H ALA A 60 3.418 9.145 30.574 1.00 35.00 H new ATOM 0 HA ALA A 60 3.558 11.040 28.410 1.00 65.23 H new ATOM 0 HB1 ALA A 60 5.610 9.775 27.852 1.00 34.13 H new ATOM 0 HB2 ALA A 60 5.564 10.233 29.571 1.00 34.13 H new ATOM 0 HB3 ALA A 60 5.188 8.563 29.085 1.00 34.13 H new ATOM 865 N LYS A 61 1.714 9.456 27.280 1.00 73.01 N ATOM 866 CA LYS A 61 0.979 8.760 26.230 1.00 42.21 C ATOM 867 C LYS A 61 0.496 9.738 25.164 1.00 42.51 C ATOM 868 O LYS A 61 0.020 10.829 25.478 1.00 13.23 O ATOM 869 CB LYS A 61 -0.213 8.009 26.825 1.00 34.45 C ATOM 870 CG LYS A 61 -0.324 6.570 26.352 1.00 65.41 C ATOM 871 CD LYS A 61 0.263 5.602 27.366 1.00 10.23 C ATOM 872 CE LYS A 61 1.220 4.619 26.710 1.00 5.33 C ATOM 873 NZ LYS A 61 1.986 3.834 27.718 1.00 73.12 N ATOM 0 H LYS A 61 1.169 10.157 27.782 1.00 73.01 H new ATOM 0 HA LYS A 61 1.655 8.044 25.762 1.00 42.21 H new ATOM 0 HB2 LYS A 61 -0.133 8.020 27.912 1.00 34.45 H new ATOM 0 HB3 LYS A 61 -1.130 8.539 26.568 1.00 34.45 H new ATOM 0 HG2 LYS A 61 -1.371 6.324 26.177 1.00 65.41 H new ATOM 0 HG3 LYS A 61 0.194 6.458 25.399 1.00 65.41 H new ATOM 0 HD2 LYS A 61 0.788 6.160 28.141 1.00 10.23 H new ATOM 0 HD3 LYS A 61 -0.542 5.055 27.857 1.00 10.23 H new ATOM 0 HE2 LYS A 61 0.659 3.938 26.070 1.00 5.33 H new ATOM 0 HE3 LYS A 61 1.914 5.161 26.068 1.00 5.33 H new ATOM 0 HZ1 LYS A 61 2.627 3.176 27.231 1.00 73.12 H new ATOM 0 HZ2 LYS A 61 2.541 4.481 28.313 1.00 73.12 H new ATOM 0 HZ3 LYS A 61 1.325 3.296 28.314 1.00 73.12 H new ATOM 887 N VAL A 62 0.621 9.341 23.902 1.00 60.43 N ATOM 888 CA VAL A 62 0.195 10.181 22.789 1.00 13.34 C ATOM 889 C VAL A 62 -0.268 9.336 21.608 1.00 43.43 C ATOM 890 O VAL A 62 0.292 8.275 21.333 1.00 3.14 O ATOM 891 CB VAL A 62 1.328 11.116 22.326 1.00 53.10 C ATOM 892 CG1 VAL A 62 1.640 12.149 23.398 1.00 25.32 C ATOM 893 CG2 VAL A 62 2.569 10.312 21.970 1.00 1.11 C ATOM 0 H VAL A 62 1.014 8.442 23.624 1.00 60.43 H new ATOM 0 HA VAL A 62 -0.639 10.784 23.148 1.00 13.34 H new ATOM 0 HB VAL A 62 0.997 11.645 21.432 1.00 53.10 H new ATOM 0 HG11 VAL A 62 2.443 12.800 23.053 1.00 25.32 H new ATOM 0 HG12 VAL A 62 0.750 12.745 23.599 1.00 25.32 H new ATOM 0 HG13 VAL A 62 1.951 11.643 24.312 1.00 25.32 H new ATOM 0 HG21 VAL A 62 3.360 10.988 21.645 1.00 1.11 H new ATOM 0 HG22 VAL A 62 2.905 9.755 22.845 1.00 1.11 H new ATOM 0 HG23 VAL A 62 2.333 9.616 21.165 1.00 1.11 H new ATOM 903 N SER A 63 -1.293 9.815 20.910 1.00 32.24 N ATOM 904 CA SER A 63 -1.834 9.102 19.759 1.00 22.20 C ATOM 905 C SER A 63 -1.425 9.784 18.457 1.00 60.42 C ATOM 906 O SER A 63 -2.136 10.649 17.947 1.00 64.52 O ATOM 907 CB SER A 63 -3.359 9.024 19.850 1.00 0.44 C ATOM 908 OG SER A 63 -3.852 7.875 19.185 1.00 71.23 O ATOM 0 H SER A 63 -1.765 10.694 21.122 1.00 32.24 H new ATOM 0 HA SER A 63 -1.425 8.091 19.764 1.00 22.20 H new ATOM 0 HB2 SER A 63 -3.663 9.001 20.896 1.00 0.44 H new ATOM 0 HB3 SER A 63 -3.799 9.919 19.410 1.00 0.44 H new ATOM 0 HG SER A 63 -4.829 7.848 19.259 1.00 71.23 H new ATOM 914 N ASN A 64 -0.274 9.387 17.925 1.00 64.34 N ATOM 915 CA ASN A 64 0.232 9.959 16.682 1.00 14.20 C ATOM 916 C ASN A 64 0.301 8.902 15.584 1.00 33.24 C ATOM 917 O ASN A 64 1.040 7.925 15.696 1.00 64.44 O ATOM 918 CB ASN A 64 1.616 10.571 16.904 1.00 2.20 C ATOM 919 CG ASN A 64 2.503 9.697 17.770 1.00 15.12 C ATOM 920 OD1 ASN A 64 2.872 10.205 18.940 1.00 41.31 O flip ATOM 921 ND2 ASN A 64 2.850 8.578 17.392 1.00 4.30 N flip ATOM 0 H ASN A 64 0.326 8.671 18.335 1.00 64.34 H new ATOM 0 HA ASN A 64 -0.457 10.742 16.365 1.00 14.20 H new ATOM 0 HB2 ASN A 64 2.098 10.731 15.940 1.00 2.20 H new ATOM 0 HB3 ASN A 64 1.507 11.549 17.372 1.00 2.20 H new ATOM 0 HD21 ASN A 64 2.542 8.228 16.485 1.00 4.30 H new ATOM 0 HD22 ASN A 64 3.445 8.001 17.986 1.00 4.30 H new ATOM 928 N ALA A 65 -0.475 9.105 14.525 1.00 41.34 N ATOM 929 CA ALA A 65 -0.500 8.171 13.406 1.00 40.43 C ATOM 930 C ALA A 65 -1.491 8.621 12.337 1.00 4.43 C ATOM 931 O ALA A 65 -1.273 8.405 11.145 1.00 32.01 O ATOM 932 CB ALA A 65 -0.846 6.772 13.894 1.00 51.45 C ATOM 0 H ALA A 65 -1.095 9.908 14.418 1.00 41.34 H new ATOM 0 HA ALA A 65 0.494 8.152 12.958 1.00 40.43 H new ATOM 0 HB1 ALA A 65 -0.861 6.085 13.048 1.00 51.45 H new ATOM 0 HB2 ALA A 65 -0.098 6.443 14.615 1.00 51.45 H new ATOM 0 HB3 ALA A 65 -1.827 6.785 14.369 1.00 51.45 H new ATOM 938 N SER A 66 -2.579 9.248 12.772 1.00 33.33 N ATOM 939 CA SER A 66 -3.606 9.724 11.853 1.00 40.01 C ATOM 940 C SER A 66 -3.028 10.741 10.873 1.00 71.52 C ATOM 941 O SER A 66 -3.217 10.627 9.662 1.00 12.52 O ATOM 942 CB SER A 66 -4.766 10.350 12.630 1.00 43.01 C ATOM 943 OG SER A 66 -5.479 9.368 13.361 1.00 24.23 O ATOM 0 H SER A 66 -2.772 9.438 13.755 1.00 33.33 H new ATOM 0 HA SER A 66 -3.977 8.869 11.287 1.00 40.01 H new ATOM 0 HB2 SER A 66 -4.383 11.109 13.312 1.00 43.01 H new ATOM 0 HB3 SER A 66 -5.441 10.854 11.938 1.00 43.01 H new ATOM 0 HG SER A 66 -6.438 9.459 13.181 1.00 24.23 H new ATOM 949 N GLU A 67 -2.323 11.733 11.406 1.00 0.15 N ATOM 950 CA GLU A 67 -1.718 12.770 10.579 1.00 11.42 C ATOM 951 C GLU A 67 -1.093 13.861 11.444 1.00 13.05 C ATOM 952 O GLU A 67 0.129 13.945 11.573 1.00 73.23 O ATOM 953 CB GLU A 67 -2.763 13.382 9.644 1.00 15.32 C ATOM 954 CG GLU A 67 -2.554 13.027 8.182 1.00 52.23 C ATOM 955 CD GLU A 67 -1.732 14.064 7.442 1.00 41.25 C ATOM 956 OE1 GLU A 67 -1.895 15.268 7.730 1.00 52.01 O ATOM 957 OE2 GLU A 67 -0.925 13.671 6.574 1.00 65.15 O ATOM 0 H GLU A 67 -2.157 11.841 12.407 1.00 0.15 H new ATOM 0 HA GLU A 67 -0.931 12.309 9.982 1.00 11.42 H new ATOM 0 HB2 GLU A 67 -3.754 13.048 9.952 1.00 15.32 H new ATOM 0 HB3 GLU A 67 -2.744 14.466 9.752 1.00 15.32 H new ATOM 0 HG2 GLU A 67 -2.057 12.059 8.114 1.00 52.23 H new ATOM 0 HG3 GLU A 67 -3.524 12.922 7.695 1.00 52.23 H new ATOM 964 N THR A 68 -1.941 14.697 12.037 1.00 61.40 N ATOM 965 CA THR A 68 -1.473 15.783 12.888 1.00 15.15 C ATOM 966 C THR A 68 -2.199 15.782 14.229 1.00 23.33 C ATOM 967 O THR A 68 -2.317 16.818 14.884 1.00 21.42 O ATOM 968 CB THR A 68 -1.672 17.152 12.212 1.00 40.53 C ATOM 969 OG1 THR A 68 -1.129 18.190 13.036 1.00 33.23 O ATOM 970 CG2 THR A 68 -3.147 17.421 11.956 1.00 73.23 C ATOM 0 H THR A 68 -2.955 14.642 11.943 1.00 61.40 H new ATOM 0 HA THR A 68 -0.408 15.619 13.053 1.00 15.15 H new ATOM 0 HB THR A 68 -1.150 17.138 11.255 1.00 40.53 H new ATOM 0 HG1 THR A 68 -0.265 17.902 13.397 1.00 33.23 H new ATOM 0 HG21 THR A 68 -3.262 18.394 11.478 1.00 73.23 H new ATOM 0 HG22 THR A 68 -3.550 16.646 11.304 1.00 73.23 H new ATOM 0 HG23 THR A 68 -3.687 17.416 12.903 1.00 73.23 H new ATOM 978 N LYS A 69 -2.683 14.612 14.634 1.00 42.34 N ATOM 979 CA LYS A 69 -3.395 14.475 15.898 1.00 33.42 C ATOM 980 C LYS A 69 -2.583 15.064 17.047 1.00 15.12 C ATOM 981 O LYS A 69 -2.731 16.237 17.387 1.00 53.34 O ATOM 982 CB LYS A 69 -3.700 13.001 16.178 1.00 5.11 C ATOM 983 CG LYS A 69 -5.048 12.547 15.648 1.00 54.24 C ATOM 984 CD LYS A 69 -5.270 11.063 15.884 1.00 65.53 C ATOM 985 CE LYS A 69 -6.717 10.668 15.634 1.00 12.05 C ATOM 986 NZ LYS A 69 -7.626 11.201 16.686 1.00 14.34 N ATOM 0 H LYS A 69 -2.595 13.745 14.104 1.00 42.34 H new ATOM 0 HA LYS A 69 -4.332 15.026 15.820 1.00 33.42 H new ATOM 0 HB2 LYS A 69 -2.918 12.386 15.732 1.00 5.11 H new ATOM 0 HB3 LYS A 69 -3.666 12.830 17.254 1.00 5.11 H new ATOM 0 HG2 LYS A 69 -5.841 13.116 16.133 1.00 54.24 H new ATOM 0 HG3 LYS A 69 -5.111 12.760 14.581 1.00 54.24 H new ATOM 0 HD2 LYS A 69 -4.616 10.488 15.228 1.00 65.53 H new ATOM 0 HD3 LYS A 69 -4.995 10.812 16.908 1.00 65.53 H new ATOM 0 HE2 LYS A 69 -7.032 11.040 14.659 1.00 12.05 H new ATOM 0 HE3 LYS A 69 -6.797 9.581 15.601 1.00 12.05 H new ATOM 0 HZ1 LYS A 69 -8.610 11.151 16.352 1.00 14.34 H new ATOM 0 HZ2 LYS A 69 -7.525 10.634 17.552 1.00 14.34 H new ATOM 0 HZ3 LYS A 69 -7.379 12.191 16.889 1.00 14.34 H new ATOM 1000 N GLY A 70 -1.724 14.242 17.642 1.00 60.03 N ATOM 1001 CA GLY A 70 -0.901 14.701 18.745 1.00 25.10 C ATOM 1002 C GLY A 70 -1.624 14.634 20.075 1.00 12.53 C ATOM 1003 O GLY A 70 -1.033 14.887 21.126 1.00 43.33 O ATOM 0 H GLY A 70 -1.584 13.266 17.380 1.00 60.03 H new ATOM 0 HA2 GLY A 70 0.004 14.095 18.796 1.00 25.10 H new ATOM 0 HA3 GLY A 70 -0.587 15.728 18.557 1.00 25.10 H new ATOM 1007 N LEU A 71 -2.908 14.295 20.032 1.00 1.22 N ATOM 1008 CA LEU A 71 -3.715 14.198 21.244 1.00 64.12 C ATOM 1009 C LEU A 71 -2.966 13.442 22.337 1.00 74.41 C ATOM 1010 O LEU A 71 -2.741 12.236 22.230 1.00 74.03 O ATOM 1011 CB LEU A 71 -5.042 13.500 20.942 1.00 62.23 C ATOM 1012 CG LEU A 71 -4.941 12.116 20.299 1.00 32.24 C ATOM 1013 CD1 LEU A 71 -5.340 11.036 21.293 1.00 20.11 C ATOM 1014 CD2 LEU A 71 -5.810 12.042 19.052 1.00 1.41 C ATOM 0 H LEU A 71 -3.413 14.083 19.171 1.00 1.22 H new ATOM 0 HA LEU A 71 -3.916 15.209 21.599 1.00 64.12 H new ATOM 0 HB2 LEU A 71 -5.600 13.406 21.873 1.00 62.23 H new ATOM 0 HB3 LEU A 71 -5.626 14.143 20.284 1.00 62.23 H new ATOM 0 HG LEU A 71 -3.905 11.947 20.006 1.00 32.24 H new ATOM 0 HD11 LEU A 71 -5.262 10.058 20.818 1.00 20.11 H new ATOM 0 HD12 LEU A 71 -4.677 11.074 22.157 1.00 20.11 H new ATOM 0 HD13 LEU A 71 -6.368 11.201 21.617 1.00 20.11 H new ATOM 0 HD21 LEU A 71 -5.725 11.050 18.608 1.00 1.41 H new ATOM 0 HD22 LEU A 71 -6.849 12.232 19.321 1.00 1.41 H new ATOM 0 HD23 LEU A 71 -5.479 12.791 18.333 1.00 1.41 H new ATOM 1026 N VAL A 72 -2.585 14.158 23.390 1.00 62.42 N ATOM 1027 CA VAL A 72 -1.865 13.554 24.505 1.00 60.33 C ATOM 1028 C VAL A 72 -2.813 13.203 25.646 1.00 52.41 C ATOM 1029 O VAL A 72 -3.741 13.954 25.950 1.00 34.40 O ATOM 1030 CB VAL A 72 -0.764 14.491 25.036 1.00 54.31 C ATOM 1031 CG1 VAL A 72 0.156 14.929 23.906 1.00 33.43 C ATOM 1032 CG2 VAL A 72 -1.381 15.697 25.729 1.00 21.34 C ATOM 0 H VAL A 72 -2.763 15.157 23.494 1.00 62.42 H new ATOM 0 HA VAL A 72 -1.404 12.642 24.127 1.00 60.33 H new ATOM 0 HB VAL A 72 -0.168 13.945 25.767 1.00 54.31 H new ATOM 0 HG11 VAL A 72 0.927 15.590 24.300 1.00 33.43 H new ATOM 0 HG12 VAL A 72 0.624 14.053 23.457 1.00 33.43 H new ATOM 0 HG13 VAL A 72 -0.423 15.458 23.149 1.00 33.43 H new ATOM 0 HG21 VAL A 72 -0.589 16.349 26.098 1.00 21.34 H new ATOM 0 HG22 VAL A 72 -2.002 16.246 25.021 1.00 21.34 H new ATOM 0 HG23 VAL A 72 -1.995 15.362 26.565 1.00 21.34 H new ATOM 1042 N THR A 73 -2.574 12.058 26.276 1.00 21.44 N ATOM 1043 CA THR A 73 -3.407 11.607 27.384 1.00 25.52 C ATOM 1044 C THR A 73 -2.554 11.157 28.565 1.00 0.34 C ATOM 1045 O THR A 73 -1.438 10.671 28.389 1.00 42.34 O ATOM 1046 CB THR A 73 -4.327 10.447 26.959 1.00 23.44 C ATOM 1047 OG1 THR A 73 -4.989 10.771 25.732 1.00 51.10 O ATOM 1048 CG2 THR A 73 -5.360 10.153 28.037 1.00 62.13 C ATOM 0 H THR A 73 -1.810 11.425 26.038 1.00 21.44 H new ATOM 0 HA THR A 73 -4.020 12.456 27.685 1.00 25.52 H new ATOM 0 HB THR A 73 -3.712 9.558 26.815 1.00 23.44 H new ATOM 0 HG1 THR A 73 -5.571 10.028 25.468 1.00 51.10 H new ATOM 0 HG21 THR A 73 -5.998 9.330 27.715 1.00 62.13 H new ATOM 0 HG22 THR A 73 -4.853 9.878 28.962 1.00 62.13 H new ATOM 0 HG23 THR A 73 -5.970 11.040 28.208 1.00 62.13 H new ATOM 1056 N GLY A 74 -3.088 11.323 29.772 1.00 71.41 N ATOM 1057 CA GLY A 74 -2.362 10.928 30.965 1.00 50.21 C ATOM 1058 C GLY A 74 -3.051 9.809 31.720 1.00 54.13 C ATOM 1059 O GLY A 74 -4.216 9.504 31.463 1.00 74.03 O ATOM 0 H GLY A 74 -4.010 11.724 29.944 1.00 71.41 H new ATOM 0 HA2 GLY A 74 -1.358 10.609 30.686 1.00 50.21 H new ATOM 0 HA3 GLY A 74 -2.252 11.791 31.622 1.00 50.21 H new ATOM 1063 N ILE A 75 -2.331 9.195 32.652 1.00 21.10 N ATOM 1064 CA ILE A 75 -2.881 8.103 33.446 1.00 62.14 C ATOM 1065 C ILE A 75 -3.017 8.503 34.911 1.00 73.42 C ATOM 1066 O ILE A 75 -4.042 8.247 35.542 1.00 75.44 O ATOM 1067 CB ILE A 75 -2.004 6.840 33.349 1.00 14.11 C ATOM 1068 CG1 ILE A 75 -1.937 6.349 31.902 1.00 61.04 C ATOM 1069 CG2 ILE A 75 -2.546 5.748 34.260 1.00 54.52 C ATOM 1070 CD1 ILE A 75 -3.281 5.948 31.336 1.00 15.41 C ATOM 0 H ILE A 75 -1.365 9.435 32.876 1.00 21.10 H new ATOM 0 HA ILE A 75 -3.868 7.882 33.039 1.00 62.14 H new ATOM 0 HB ILE A 75 -0.994 7.091 33.675 1.00 14.11 H new ATOM 0 HG12 ILE A 75 -1.510 7.135 31.280 1.00 61.04 H new ATOM 0 HG13 ILE A 75 -1.260 5.496 31.847 1.00 61.04 H new ATOM 0 HG21 ILE A 75 -1.916 4.862 34.181 1.00 54.52 H new ATOM 0 HG22 ILE A 75 -2.547 6.102 35.291 1.00 54.52 H new ATOM 0 HG23 ILE A 75 -3.564 5.497 33.962 1.00 54.52 H new ATOM 0 HD11 ILE A 75 -3.156 5.611 30.307 1.00 15.41 H new ATOM 0 HD12 ILE A 75 -3.701 5.140 31.935 1.00 15.41 H new ATOM 0 HD13 ILE A 75 -3.955 6.804 31.358 1.00 15.41 H new ATOM 1082 N ALA A 76 -1.977 9.133 35.446 1.00 51.43 N ATOM 1083 CA ALA A 76 -1.982 9.572 36.836 1.00 51.54 C ATOM 1084 C ALA A 76 -1.738 11.074 36.938 1.00 43.21 C ATOM 1085 O ALA A 76 -1.459 11.737 35.939 1.00 60.24 O ATOM 1086 CB ALA A 76 -0.935 8.810 37.634 1.00 71.21 C ATOM 0 H ALA A 76 -1.120 9.351 34.938 1.00 51.43 H new ATOM 0 HA ALA A 76 -2.966 9.361 37.254 1.00 51.54 H new ATOM 0 HB1 ALA A 76 -0.950 9.148 38.670 1.00 71.21 H new ATOM 0 HB2 ALA A 76 -1.155 7.743 37.597 1.00 71.21 H new ATOM 0 HB3 ALA A 76 0.051 8.992 37.207 1.00 71.21 H new ATOM 1092 N SER A 77 -1.845 11.605 38.152 1.00 43.33 N ATOM 1093 CA SER A 77 -1.640 13.030 38.383 1.00 4.33 C ATOM 1094 C SER A 77 -0.169 13.401 38.218 1.00 51.52 C ATOM 1095 O SER A 77 0.634 12.603 37.736 1.00 52.51 O ATOM 1096 CB SER A 77 -2.120 13.415 39.784 1.00 1.10 C ATOM 1097 OG SER A 77 -3.422 12.914 40.032 1.00 1.02 O ATOM 0 H SER A 77 -2.072 11.070 38.990 1.00 43.33 H new ATOM 0 HA SER A 77 -2.221 13.580 37.643 1.00 4.33 H new ATOM 0 HB2 SER A 77 -1.428 13.023 40.529 1.00 1.10 H new ATOM 0 HB3 SER A 77 -2.119 14.500 39.887 1.00 1.10 H new ATOM 0 HG SER A 77 -3.705 13.172 40.934 1.00 1.02 H new ATOM 1103 N GLY A 78 0.176 14.620 38.621 1.00 4.45 N ATOM 1104 CA GLY A 78 1.549 15.078 38.510 1.00 62.51 C ATOM 1105 C GLY A 78 1.717 16.158 37.460 1.00 11.45 C ATOM 1106 O GLY A 78 0.798 16.936 37.209 1.00 53.31 O ATOM 0 H GLY A 78 -0.471 15.299 39.022 1.00 4.45 H new ATOM 0 HA2 GLY A 78 1.881 15.460 39.476 1.00 62.51 H new ATOM 0 HA3 GLY A 78 2.192 14.233 38.264 1.00 62.51 H new ATOM 1110 N ASN A 79 2.895 16.208 36.848 1.00 41.25 N ATOM 1111 CA ASN A 79 3.181 17.204 35.821 1.00 61.22 C ATOM 1112 C ASN A 79 3.366 16.542 34.458 1.00 3.55 C ATOM 1113 O ASN A 79 4.480 16.409 33.952 1.00 44.54 O ATOM 1114 CB ASN A 79 4.435 18.000 36.188 1.00 13.24 C ATOM 1115 CG ASN A 79 4.140 19.125 37.162 1.00 43.23 C ATOM 1116 OD1 ASN A 79 3.613 20.170 36.779 1.00 23.01 O ATOM 1117 ND2 ASN A 79 4.481 18.916 38.428 1.00 33.11 N ATOM 0 H ASN A 79 3.667 15.571 37.045 1.00 41.25 H new ATOM 0 HA ASN A 79 2.331 17.884 35.763 1.00 61.22 H new ATOM 0 HB2 ASN A 79 5.174 17.328 36.626 1.00 13.24 H new ATOM 0 HB3 ASN A 79 4.878 18.414 35.282 1.00 13.24 H new ATOM 0 HD21 ASN A 79 4.308 19.637 39.128 1.00 33.11 H new ATOM 0 HD22 ASN A 79 4.916 18.034 38.700 1.00 33.11 H new ATOM 1124 N PRO A 80 2.249 16.118 33.850 1.00 51.00 N ATOM 1125 CA PRO A 80 2.261 15.465 32.538 1.00 65.42 C ATOM 1126 C PRO A 80 2.625 16.429 31.414 1.00 74.34 C ATOM 1127 O PRO A 80 1.761 16.866 30.653 1.00 73.15 O ATOM 1128 CB PRO A 80 0.822 14.970 32.374 1.00 2.00 C ATOM 1129 CG PRO A 80 0.010 15.879 33.231 1.00 74.45 C ATOM 1130 CD PRO A 80 0.887 16.244 34.396 1.00 61.22 C ATOM 0 HA PRO A 80 3.007 14.672 32.484 1.00 65.42 H new ATOM 0 HB2 PRO A 80 0.503 15.017 31.333 1.00 2.00 H new ATOM 0 HB3 PRO A 80 0.722 13.932 32.691 1.00 2.00 H new ATOM 0 HG2 PRO A 80 -0.294 16.768 32.678 1.00 74.45 H new ATOM 0 HG3 PRO A 80 -0.902 15.386 33.568 1.00 74.45 H new ATOM 0 HD2 PRO A 80 0.687 17.256 34.748 1.00 61.22 H new ATOM 0 HD3 PRO A 80 0.730 15.575 35.242 1.00 61.22 H new ATOM 1138 N THR A 81 3.909 16.757 31.313 1.00 0.14 N ATOM 1139 CA THR A 81 4.386 17.670 30.283 1.00 43.05 C ATOM 1140 C THR A 81 4.908 16.907 29.071 1.00 73.55 C ATOM 1141 O THR A 81 5.787 16.053 29.194 1.00 34.01 O ATOM 1142 CB THR A 81 5.503 18.587 30.817 1.00 61.50 C ATOM 1143 OG1 THR A 81 5.523 18.551 32.248 1.00 13.33 O ATOM 1144 CG2 THR A 81 5.302 20.018 30.343 1.00 71.24 C ATOM 0 H THR A 81 4.638 16.403 31.933 1.00 0.14 H new ATOM 0 HA THR A 81 3.535 18.282 29.986 1.00 43.05 H new ATOM 0 HB THR A 81 6.456 18.225 30.431 1.00 61.50 H new ATOM 0 HG1 THR A 81 6.237 19.135 32.580 1.00 13.33 H new ATOM 0 HG21 THR A 81 6.103 20.646 30.733 1.00 71.24 H new ATOM 0 HG22 THR A 81 5.317 20.046 29.253 1.00 71.24 H new ATOM 0 HG23 THR A 81 4.342 20.389 30.703 1.00 71.24 H new ATOM 1152 N ILE A 82 4.361 17.219 27.900 1.00 4.23 N ATOM 1153 CA ILE A 82 4.774 16.563 26.666 1.00 53.12 C ATOM 1154 C ILE A 82 5.591 17.506 25.789 1.00 74.44 C ATOM 1155 O ILE A 82 5.127 18.585 25.420 1.00 75.12 O ATOM 1156 CB ILE A 82 3.560 16.057 25.865 1.00 55.35 C ATOM 1157 CG1 ILE A 82 4.020 15.380 24.572 1.00 1.10 C ATOM 1158 CG2 ILE A 82 2.611 17.207 25.558 1.00 62.22 C ATOM 1159 CD1 ILE A 82 4.895 14.168 24.804 1.00 42.25 C ATOM 0 H ILE A 82 3.631 17.922 27.781 1.00 4.23 H new ATOM 0 HA ILE A 82 5.391 15.711 26.952 1.00 53.12 H new ATOM 0 HB ILE A 82 3.027 15.322 26.468 1.00 55.35 H new ATOM 0 HG12 ILE A 82 3.144 15.081 23.996 1.00 1.10 H new ATOM 0 HG13 ILE A 82 4.567 16.103 23.967 1.00 1.10 H new ATOM 0 HG21 ILE A 82 1.758 16.833 24.991 1.00 62.22 H new ATOM 0 HG22 ILE A 82 2.261 17.649 26.491 1.00 62.22 H new ATOM 0 HG23 ILE A 82 3.133 17.963 24.971 1.00 62.22 H new ATOM 0 HD11 ILE A 82 5.184 13.739 23.845 1.00 42.25 H new ATOM 0 HD12 ILE A 82 5.789 14.464 25.353 1.00 42.25 H new ATOM 0 HD13 ILE A 82 4.344 13.426 25.382 1.00 42.25 H new ATOM 1171 N ILE A 83 6.808 17.090 25.457 1.00 61.33 N ATOM 1172 CA ILE A 83 7.689 17.896 24.620 1.00 35.31 C ATOM 1173 C ILE A 83 7.689 17.395 23.180 1.00 73.32 C ATOM 1174 O ILE A 83 7.677 16.190 22.931 1.00 21.52 O ATOM 1175 CB ILE A 83 9.133 17.890 25.154 1.00 62.11 C ATOM 1176 CG1 ILE A 83 9.932 19.040 24.538 1.00 63.04 C ATOM 1177 CG2 ILE A 83 9.802 16.555 24.859 1.00 55.42 C ATOM 1178 CD1 ILE A 83 10.013 20.263 25.424 1.00 21.12 C ATOM 0 H ILE A 83 7.207 16.200 25.755 1.00 61.33 H new ATOM 0 HA ILE A 83 7.305 18.916 24.647 1.00 35.31 H new ATOM 0 HB ILE A 83 9.106 18.029 26.235 1.00 62.11 H new ATOM 0 HG12 ILE A 83 10.942 18.693 24.318 1.00 63.04 H new ATOM 0 HG13 ILE A 83 9.477 19.319 23.588 1.00 63.04 H new ATOM 0 HG21 ILE A 83 10.822 16.567 25.243 1.00 55.42 H new ATOM 0 HG22 ILE A 83 9.242 15.753 25.341 1.00 55.42 H new ATOM 0 HG23 ILE A 83 9.821 16.388 23.782 1.00 55.42 H new ATOM 0 HD11 ILE A 83 10.594 21.037 24.923 1.00 21.12 H new ATOM 0 HD12 ILE A 83 9.008 20.635 25.623 1.00 21.12 H new ATOM 0 HD13 ILE A 83 10.495 19.999 26.365 1.00 21.12 H new ATOM 1190 N ALA A 84 7.704 18.328 22.234 1.00 14.53 N ATOM 1191 CA ALA A 84 7.709 17.982 20.819 1.00 64.05 C ATOM 1192 C ALA A 84 8.965 18.506 20.130 1.00 23.23 C ATOM 1193 O ALA A 84 9.138 19.714 19.966 1.00 65.11 O ATOM 1194 CB ALA A 84 6.464 18.529 20.136 1.00 23.12 C ATOM 0 H ALA A 84 7.713 19.330 22.423 1.00 14.53 H new ATOM 0 HA ALA A 84 7.707 16.895 20.737 1.00 64.05 H new ATOM 0 HB1 ALA A 84 6.482 18.263 19.079 1.00 23.12 H new ATOM 0 HB2 ALA A 84 5.576 18.103 20.603 1.00 23.12 H new ATOM 0 HB3 ALA A 84 6.441 19.614 20.236 1.00 23.12 H new ATOM 1200 N THR A 85 9.841 17.589 19.730 1.00 42.23 N ATOM 1201 CA THR A 85 11.082 17.959 19.061 1.00 22.20 C ATOM 1202 C THR A 85 11.009 17.669 17.566 1.00 31.33 C ATOM 1203 O THR A 85 10.773 16.532 17.155 1.00 3.24 O ATOM 1204 CB THR A 85 12.288 17.209 19.659 1.00 15.13 C ATOM 1205 OG1 THR A 85 11.854 15.982 20.256 1.00 30.13 O ATOM 1206 CG2 THR A 85 12.994 18.064 20.701 1.00 73.12 C ATOM 0 H THR A 85 9.714 16.585 19.858 1.00 42.23 H new ATOM 0 HA THR A 85 11.216 19.030 19.215 1.00 22.20 H new ATOM 0 HB THR A 85 12.990 16.993 18.853 1.00 15.13 H new ATOM 0 HG1 THR A 85 12.626 15.510 20.632 1.00 30.13 H new ATOM 0 HG21 THR A 85 13.842 17.514 21.109 1.00 73.12 H new ATOM 0 HG22 THR A 85 13.348 18.985 20.237 1.00 73.12 H new ATOM 0 HG23 THR A 85 12.298 18.307 21.504 1.00 73.12 H new ATOM 1214 N TYR A 86 11.213 18.702 16.757 1.00 15.43 N ATOM 1215 CA TYR A 86 11.168 18.558 15.307 1.00 14.40 C ATOM 1216 C TYR A 86 12.023 19.623 14.627 1.00 0.11 C ATOM 1217 O TYR A 86 11.646 20.792 14.565 1.00 53.42 O ATOM 1218 CB TYR A 86 9.725 18.653 14.809 1.00 74.34 C ATOM 1219 CG TYR A 86 9.555 18.242 13.363 1.00 2.13 C ATOM 1220 CD1 TYR A 86 10.213 17.129 12.855 1.00 70.11 C ATOM 1221 CD2 TYR A 86 8.736 18.967 12.506 1.00 3.12 C ATOM 1222 CE1 TYR A 86 10.062 16.751 11.535 1.00 74.21 C ATOM 1223 CE2 TYR A 86 8.578 18.595 11.185 1.00 12.51 C ATOM 1224 CZ TYR A 86 9.243 17.487 10.704 1.00 11.01 C ATOM 1225 OH TYR A 86 9.088 17.113 9.389 1.00 64.21 O ATOM 0 H TYR A 86 11.411 19.649 17.081 1.00 15.43 H new ATOM 0 HA TYR A 86 11.570 17.577 15.052 1.00 14.40 H new ATOM 0 HB2 TYR A 86 9.092 18.023 15.434 1.00 74.34 H new ATOM 0 HB3 TYR A 86 9.374 19.678 14.930 1.00 74.34 H new ATOM 0 HD1 TYR A 86 10.854 16.549 13.503 1.00 70.11 H new ATOM 0 HD2 TYR A 86 8.214 19.836 12.879 1.00 3.12 H new ATOM 0 HE1 TYR A 86 10.582 15.884 11.156 1.00 74.21 H new ATOM 0 HE2 TYR A 86 7.937 19.169 10.532 1.00 12.51 H new ATOM 0 HH TYR A 86 8.478 17.736 8.942 1.00 64.21 H new ATOM 1235 N GLY A 87 13.179 19.208 14.117 1.00 32.14 N ATOM 1236 CA GLY A 87 14.071 20.137 13.448 1.00 74.41 C ATOM 1237 C GLY A 87 14.722 21.110 14.410 1.00 42.22 C ATOM 1238 O GLY A 87 15.294 20.705 15.422 1.00 62.25 O ATOM 0 H GLY A 87 13.513 18.245 14.155 1.00 32.14 H new ATOM 0 HA2 GLY A 87 14.845 19.578 12.922 1.00 74.41 H new ATOM 0 HA3 GLY A 87 13.513 20.694 12.695 1.00 74.41 H new ATOM 1242 N SER A 88 14.637 22.398 14.093 1.00 5.44 N ATOM 1243 CA SER A 88 15.229 23.433 14.935 1.00 74.45 C ATOM 1244 C SER A 88 14.171 24.081 15.822 1.00 12.22 C ATOM 1245 O SER A 88 14.453 25.033 16.550 1.00 50.54 O ATOM 1246 CB SER A 88 15.907 24.497 14.070 1.00 64.31 C ATOM 1247 OG SER A 88 17.092 23.993 13.477 1.00 32.22 O ATOM 0 H SER A 88 14.165 22.750 13.260 1.00 5.44 H new ATOM 0 HA SER A 88 15.977 22.964 15.574 1.00 74.45 H new ATOM 0 HB2 SER A 88 15.220 24.829 13.292 1.00 64.31 H new ATOM 0 HB3 SER A 88 16.144 25.369 14.680 1.00 64.31 H new ATOM 0 HG SER A 88 17.506 24.691 12.928 1.00 32.22 H new ATOM 1253 N VAL A 89 12.951 23.558 15.757 1.00 55.13 N ATOM 1254 CA VAL A 89 11.849 24.084 16.554 1.00 3.24 C ATOM 1255 C VAL A 89 11.202 22.985 17.390 1.00 51.43 C ATOM 1256 O VAL A 89 11.080 21.844 16.946 1.00 64.24 O ATOM 1257 CB VAL A 89 10.775 24.739 15.666 1.00 60.44 C ATOM 1258 CG1 VAL A 89 9.721 25.427 16.520 1.00 24.31 C ATOM 1259 CG2 VAL A 89 11.413 25.722 14.696 1.00 11.33 C ATOM 0 H VAL A 89 12.700 22.770 15.160 1.00 55.13 H new ATOM 0 HA VAL A 89 12.271 24.840 17.217 1.00 3.24 H new ATOM 0 HB VAL A 89 10.283 23.958 15.086 1.00 60.44 H new ATOM 0 HG11 VAL A 89 8.971 25.884 15.874 1.00 24.31 H new ATOM 0 HG12 VAL A 89 9.243 24.693 17.169 1.00 24.31 H new ATOM 0 HG13 VAL A 89 10.193 26.198 17.130 1.00 24.31 H new ATOM 0 HG21 VAL A 89 10.639 26.176 14.076 1.00 11.33 H new ATOM 0 HG22 VAL A 89 11.932 26.500 15.255 1.00 11.33 H new ATOM 0 HG23 VAL A 89 12.125 25.196 14.060 1.00 11.33 H new ATOM 1269 N SER A 90 10.787 23.338 18.602 1.00 1.13 N ATOM 1270 CA SER A 90 10.154 22.381 19.502 1.00 24.02 C ATOM 1271 C SER A 90 9.129 23.072 20.396 1.00 31.40 C ATOM 1272 O SER A 90 9.240 24.263 20.681 1.00 11.24 O ATOM 1273 CB SER A 90 11.210 21.683 20.362 1.00 13.14 C ATOM 1274 OG SER A 90 12.168 22.609 20.844 1.00 24.32 O ATOM 0 H SER A 90 10.878 24.280 18.984 1.00 1.13 H new ATOM 0 HA SER A 90 9.638 21.636 18.896 1.00 24.02 H new ATOM 0 HB2 SER A 90 10.727 21.184 21.202 1.00 13.14 H new ATOM 0 HB3 SER A 90 11.709 20.911 19.776 1.00 13.14 H new ATOM 0 HG SER A 90 12.831 22.139 21.392 1.00 24.32 H new ATOM 1280 N GLY A 91 8.129 22.313 20.835 1.00 21.21 N ATOM 1281 CA GLY A 91 7.098 22.868 21.692 1.00 75.32 C ATOM 1282 C GLY A 91 6.926 22.082 22.976 1.00 30.35 C ATOM 1283 O GLY A 91 7.687 21.155 23.251 1.00 0.12 O ATOM 0 H GLY A 91 8.015 21.324 20.612 1.00 21.21 H new ATOM 0 HA2 GLY A 91 7.348 23.901 21.933 1.00 75.32 H new ATOM 0 HA3 GLY A 91 6.152 22.886 21.151 1.00 75.32 H new ATOM 1287 N ASN A 92 5.924 22.454 23.767 1.00 70.44 N ATOM 1288 CA ASN A 92 5.656 21.778 25.031 1.00 64.10 C ATOM 1289 C ASN A 92 4.228 22.043 25.498 1.00 63.11 C ATOM 1290 O ASN A 92 3.728 23.164 25.399 1.00 4.12 O ATOM 1291 CB ASN A 92 6.649 22.240 26.100 1.00 15.21 C ATOM 1292 CG ASN A 92 6.654 23.747 26.271 1.00 40.01 C ATOM 1293 OD1 ASN A 92 7.115 24.480 25.396 1.00 3.31 O ATOM 1294 ND2 ASN A 92 6.140 24.216 27.402 1.00 60.01 N ATOM 0 H ASN A 92 5.285 23.220 23.555 1.00 70.44 H new ATOM 0 HA ASN A 92 5.774 20.706 24.874 1.00 64.10 H new ATOM 0 HB2 ASN A 92 6.400 21.770 27.051 1.00 15.21 H new ATOM 0 HB3 ASN A 92 7.651 21.904 25.831 1.00 15.21 H new ATOM 0 HD21 ASN A 92 6.116 25.221 27.573 1.00 60.01 H new ATOM 0 HD22 ASN A 92 5.769 23.571 28.100 1.00 60.01 H new ATOM 1301 N THR A 93 3.576 21.003 26.008 1.00 55.11 N ATOM 1302 CA THR A 93 2.205 21.122 26.490 1.00 43.43 C ATOM 1303 C THR A 93 2.092 20.673 27.942 1.00 60.11 C ATOM 1304 O THR A 93 2.578 19.603 28.310 1.00 43.21 O ATOM 1305 CB THR A 93 1.233 20.293 25.630 1.00 22.40 C ATOM 1306 OG1 THR A 93 1.768 20.120 24.313 1.00 5.41 O ATOM 1307 CG2 THR A 93 -0.127 20.969 25.546 1.00 61.23 C ATOM 0 H THR A 93 3.975 20.069 26.098 1.00 55.11 H new ATOM 0 HA THR A 93 1.934 22.175 26.417 1.00 43.43 H new ATOM 0 HB THR A 93 1.108 19.318 26.101 1.00 22.40 H new ATOM 0 HG1 THR A 93 1.144 19.590 23.774 1.00 5.41 H new ATOM 0 HG21 THR A 93 -0.796 20.365 24.934 1.00 61.23 H new ATOM 0 HG22 THR A 93 -0.545 21.071 26.547 1.00 61.23 H new ATOM 0 HG23 THR A 93 -0.016 21.956 25.097 1.00 61.23 H new ATOM 1315 N ILE A 94 1.447 21.495 28.762 1.00 3.54 N ATOM 1316 CA ILE A 94 1.269 21.181 30.174 1.00 21.43 C ATOM 1317 C ILE A 94 -0.183 20.830 30.480 1.00 11.24 C ATOM 1318 O ILE A 94 -1.106 21.496 30.009 1.00 35.44 O ATOM 1319 CB ILE A 94 1.702 22.355 31.072 1.00 23.40 C ATOM 1320 CG1 ILE A 94 1.031 23.651 30.613 1.00 21.30 C ATOM 1321 CG2 ILE A 94 3.216 22.502 31.057 1.00 24.14 C ATOM 1322 CD1 ILE A 94 1.029 24.736 31.667 1.00 73.02 C ATOM 0 H ILE A 94 1.039 22.384 28.473 1.00 3.54 H new ATOM 0 HA ILE A 94 1.902 20.319 30.387 1.00 21.43 H new ATOM 0 HB ILE A 94 1.386 22.147 32.094 1.00 23.40 H new ATOM 0 HG12 ILE A 94 1.542 24.020 29.724 1.00 21.30 H new ATOM 0 HG13 ILE A 94 0.003 23.435 30.323 1.00 21.30 H new ATOM 0 HG21 ILE A 94 3.507 23.336 31.696 1.00 24.14 H new ATOM 0 HG22 ILE A 94 3.674 21.585 31.426 1.00 24.14 H new ATOM 0 HG23 ILE A 94 3.553 22.691 30.038 1.00 24.14 H new ATOM 0 HD11 ILE A 94 0.538 25.625 31.273 1.00 73.02 H new ATOM 0 HD12 ILE A 94 0.492 24.386 32.549 1.00 73.02 H new ATOM 0 HD13 ILE A 94 2.056 24.980 31.940 1.00 73.02 H new ATOM 1334 N LEU A 95 -0.379 19.783 31.274 1.00 65.45 N ATOM 1335 CA LEU A 95 -1.719 19.344 31.645 1.00 32.12 C ATOM 1336 C LEU A 95 -1.820 19.115 33.150 1.00 42.40 C ATOM 1337 O LEU A 95 -0.864 18.673 33.788 1.00 63.24 O ATOM 1338 CB LEU A 95 -2.083 18.060 30.898 1.00 64.25 C ATOM 1339 CG LEU A 95 -1.392 17.850 29.550 1.00 71.35 C ATOM 1340 CD1 LEU A 95 -1.766 16.497 28.963 1.00 24.05 C ATOM 1341 CD2 LEU A 95 -1.754 18.969 28.585 1.00 51.44 C ATOM 0 H LEU A 95 0.374 19.222 31.673 1.00 65.45 H new ATOM 0 HA LEU A 95 -2.421 20.130 31.367 1.00 32.12 H new ATOM 0 HB2 LEU A 95 -1.849 17.211 31.540 1.00 64.25 H new ATOM 0 HB3 LEU A 95 -3.161 18.050 30.737 1.00 64.25 H new ATOM 0 HG LEU A 95 -0.314 17.869 29.710 1.00 71.35 H new ATOM 0 HD11 LEU A 95 -1.265 16.365 28.004 1.00 24.05 H new ATOM 0 HD12 LEU A 95 -1.456 15.706 29.646 1.00 24.05 H new ATOM 0 HD13 LEU A 95 -2.845 16.449 28.818 1.00 24.05 H new ATOM 0 HD21 LEU A 95 -1.253 18.803 27.631 1.00 51.44 H new ATOM 0 HD22 LEU A 95 -2.833 18.982 28.431 1.00 51.44 H new ATOM 0 HD23 LEU A 95 -1.435 19.925 29.000 1.00 51.44 H new ATOM 1353 N THR A 96 -2.986 19.418 33.713 1.00 44.32 N ATOM 1354 CA THR A 96 -3.212 19.245 35.142 1.00 11.31 C ATOM 1355 C THR A 96 -4.220 18.133 35.408 1.00 13.43 C ATOM 1356 O THR A 96 -5.411 18.281 35.130 1.00 5.15 O ATOM 1357 CB THR A 96 -3.717 20.547 35.793 1.00 40.15 C ATOM 1358 OG1 THR A 96 -2.840 21.630 35.466 1.00 45.55 O ATOM 1359 CG2 THR A 96 -3.805 20.398 37.304 1.00 75.02 C ATOM 0 H THR A 96 -3.788 19.784 33.200 1.00 44.32 H new ATOM 0 HA THR A 96 -2.253 18.976 35.583 1.00 11.31 H new ATOM 0 HB THR A 96 -4.714 20.758 35.406 1.00 40.15 H new ATOM 0 HG1 THR A 96 -3.341 22.324 34.989 1.00 45.55 H new ATOM 0 HG21 THR A 96 -4.164 21.330 37.741 1.00 75.02 H new ATOM 0 HG22 THR A 96 -4.496 19.592 37.550 1.00 75.02 H new ATOM 0 HG23 THR A 96 -2.818 20.165 37.705 1.00 75.02 H new ATOM 1367 N VAL A 97 -3.737 17.020 35.949 1.00 21.53 N ATOM 1368 CA VAL A 97 -4.597 15.882 36.255 1.00 2.51 C ATOM 1369 C VAL A 97 -4.634 15.609 37.754 1.00 25.24 C ATOM 1370 O VAL A 97 -3.593 15.481 38.398 1.00 41.41 O ATOM 1371 CB VAL A 97 -4.127 14.611 35.524 1.00 72.04 C ATOM 1372 CG1 VAL A 97 -5.250 13.587 35.458 1.00 52.12 C ATOM 1373 CG2 VAL A 97 -3.625 14.954 34.129 1.00 22.22 C ATOM 0 H VAL A 97 -2.754 16.881 36.185 1.00 21.53 H new ATOM 0 HA VAL A 97 -5.599 16.140 35.911 1.00 2.51 H new ATOM 0 HB VAL A 97 -3.301 14.174 36.086 1.00 72.04 H new ATOM 0 HG11 VAL A 97 -4.899 12.696 34.938 1.00 52.12 H new ATOM 0 HG12 VAL A 97 -5.559 13.320 36.469 1.00 52.12 H new ATOM 0 HG13 VAL A 97 -6.098 14.011 34.920 1.00 52.12 H new ATOM 0 HG21 VAL A 97 -3.297 14.044 33.627 1.00 22.22 H new ATOM 0 HG22 VAL A 97 -4.429 15.415 33.556 1.00 22.22 H new ATOM 0 HG23 VAL A 97 -2.789 15.649 34.204 1.00 22.22 H new ATOM 1383 N ASN A 98 -5.840 15.519 38.305 1.00 51.05 N ATOM 1384 CA ASN A 98 -6.013 15.260 39.729 1.00 11.23 C ATOM 1385 C ASN A 98 -6.647 13.892 39.961 1.00 64.44 C ATOM 1386 O ASN A 98 -7.631 13.766 40.690 1.00 64.43 O ATOM 1387 CB ASN A 98 -6.879 16.349 40.365 1.00 10.53 C ATOM 1388 CG ASN A 98 -8.227 16.488 39.684 1.00 44.33 C ATOM 1389 OD1 ASN A 98 -9.245 16.024 40.197 1.00 41.42 O ATOM 1390 ND2 ASN A 98 -8.238 17.129 38.521 1.00 41.42 N ATOM 0 H ASN A 98 -6.712 15.622 37.786 1.00 51.05 H new ATOM 0 HA ASN A 98 -5.028 15.268 40.196 1.00 11.23 H new ATOM 0 HB2 ASN A 98 -7.030 16.119 41.420 1.00 10.53 H new ATOM 0 HB3 ASN A 98 -6.352 17.302 40.319 1.00 10.53 H new ATOM 0 HD21 ASN A 98 -9.115 17.253 38.015 1.00 41.42 H new ATOM 0 HD22 ASN A 98 -7.369 17.497 38.133 1.00 41.42 H new ATOM 1397 N LYS A 99 -6.075 12.868 39.335 1.00 12.02 N ATOM 1398 CA LYS A 99 -6.581 11.508 39.473 1.00 32.50 C ATOM 1399 C LYS A 99 -6.389 10.997 40.898 1.00 53.53 C ATOM 1400 O LYS A 99 -5.263 10.886 41.383 1.00 43.54 O ATOM 1401 CB LYS A 99 -5.873 10.576 38.487 1.00 73.22 C ATOM 1402 CG LYS A 99 -6.734 9.412 38.025 1.00 44.33 C ATOM 1403 CD LYS A 99 -6.756 8.293 39.052 1.00 14.23 C ATOM 1404 CE LYS A 99 -7.124 6.961 38.417 1.00 33.12 C ATOM 1405 NZ LYS A 99 -6.123 5.903 38.727 1.00 1.35 N ATOM 0 H LYS A 99 -5.261 12.955 38.727 1.00 12.02 H new ATOM 0 HA LYS A 99 -7.648 11.520 39.251 1.00 32.50 H new ATOM 0 HB2 LYS A 99 -5.559 11.152 37.617 1.00 73.22 H new ATOM 0 HB3 LYS A 99 -4.969 10.185 38.954 1.00 73.22 H new ATOM 0 HG2 LYS A 99 -7.751 9.760 37.843 1.00 44.33 H new ATOM 0 HG3 LYS A 99 -6.353 9.030 37.078 1.00 44.33 H new ATOM 0 HD2 LYS A 99 -5.778 8.213 39.526 1.00 14.23 H new ATOM 0 HD3 LYS A 99 -7.472 8.533 39.838 1.00 14.23 H new ATOM 0 HE2 LYS A 99 -8.105 6.648 38.773 1.00 33.12 H new ATOM 0 HE3 LYS A 99 -7.201 7.083 37.337 1.00 33.12 H new ATOM 0 HZ1 LYS A 99 -6.410 5.011 38.276 1.00 1.35 H new ATOM 0 HZ2 LYS A 99 -5.191 6.190 38.365 1.00 1.35 H new ATOM 0 HZ3 LYS A 99 -6.068 5.768 39.757 1.00 1.35 H new ATOM 1419 N THR A 100 -7.497 10.687 41.565 1.00 63.45 N ATOM 1420 CA THR A 100 -7.450 10.188 42.933 1.00 33.11 C ATOM 1421 C THR A 100 -7.462 8.664 42.964 1.00 70.13 C ATOM 1422 O THR A 100 -8.521 8.044 43.058 1.00 33.41 O ATOM 1423 CB THR A 100 -8.635 10.716 43.764 1.00 70.10 C ATOM 1424 OG1 THR A 100 -8.773 12.129 43.577 1.00 33.12 O ATOM 1425 CG2 THR A 100 -8.438 10.411 45.241 1.00 12.44 C ATOM 0 H THR A 100 -8.437 10.773 41.179 1.00 63.45 H new ATOM 0 HA THR A 100 -6.519 10.550 43.369 1.00 33.11 H new ATOM 0 HB THR A 100 -9.541 10.215 43.424 1.00 70.10 H new ATOM 0 HG1 THR A 100 -9.529 12.457 44.107 1.00 33.12 H new ATOM 0 HG21 THR A 100 -9.287 10.793 45.808 1.00 12.44 H new ATOM 0 HG22 THR A 100 -8.363 9.333 45.383 1.00 12.44 H new ATOM 0 HG23 THR A 100 -7.523 10.888 45.592 1.00 12.44 H new