USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=37 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 55 SER OG : rot 122:sc= 0.409 USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 0.502 USER MOD Set 2.1: A 56 ASN : amide:sc= -3.02 K(o=-10,f=-9.4) USER MOD Set 2.2: A 59 GLN : amide:sc= -7.15! C(o=-10!,f=-13!) USER MOD Set 3.1: A 23 ASN : amide:sc= -1.45 K(o=-1.9,f=1.8) USER MOD Set 3.2: A 96 THR OG1 : rot -170:sc= -0.424 USER MOD Single : A 11 THR OG1 : rot 28:sc= 0.43 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 -60:sc= 0.786 USER MOD Single : A 21 ASN : amide:sc= -2.04 K(o=-2,f=-3.8) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0269 USER MOD Single : A 25 ASN : amide:sc= -4.13! K(o=-4.1!,f=-0.88) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.31 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0846 USER MOD Single : A 29 SER OG : rot 180:sc=-0.00765 USER MOD Single : A 30 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0799) USER MOD Single : A 31 GLN : amide:sc= -0.861 K(o=-0.86,f=-0.034) USER MOD Single : A 37 THR OG1 : rot 79:sc= 1.07 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 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 47 THR OG1 : rot -130:sc= 0 USER MOD Single : A 48 SER OG : rot 72:sc= -0.282 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 76:sc= 0.23 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0219 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 -54:sc= 0.0069 USER MOD Single : A 64 ASN : amide:sc= -1.55 K(o=-1.6,f=-7.5!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -49:sc= 0.298 USER MOD Single : A 69 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0996) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 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= -0.239 X(o=-0.24,f=-0.23) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -1.35 K(o=-1.4,f=-0.058) USER MOD Single : A 99 LYS NZ :NH3+ 163:sc= 0.394 (180deg=0.176) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.00115 USER MOD ----------------------------------------------------------------- ATOM 141 N THR A 11 17.951 20.077 6.955 1.00 33.33 N ATOM 142 CA THR A 11 17.445 21.195 6.170 1.00 51.23 C ATOM 143 C THR A 11 16.320 21.917 6.902 1.00 12.32 C ATOM 144 O THR A 11 15.470 22.557 6.280 1.00 23.23 O ATOM 145 CB THR A 11 16.931 20.729 4.795 1.00 74.13 C ATOM 146 OG1 THR A 11 17.754 19.668 4.297 1.00 3.35 O ATOM 147 CG2 THR A 11 16.923 21.880 3.801 1.00 50.53 C ATOM 0 HA THR A 11 18.279 21.881 6.025 1.00 51.23 H new ATOM 0 HB THR A 11 15.910 20.369 4.918 1.00 74.13 H new ATOM 0 HG1 THR A 11 18.147 19.178 5.049 1.00 3.35 H new ATOM 0 HG21 THR A 11 16.556 21.526 2.838 1.00 50.53 H new ATOM 0 HG22 THR A 11 16.272 22.673 4.168 1.00 50.53 H new ATOM 0 HG23 THR A 11 17.935 22.267 3.684 1.00 50.53 H new ATOM 155 N LEU A 12 16.319 21.812 8.226 1.00 4.34 N ATOM 156 CA LEU A 12 15.298 22.457 9.045 1.00 70.33 C ATOM 157 C LEU A 12 15.723 23.869 9.434 1.00 50.03 C ATOM 158 O LEU A 12 16.757 24.063 10.072 1.00 2.05 O ATOM 159 CB LEU A 12 15.027 21.629 10.302 1.00 33.12 C ATOM 160 CG LEU A 12 14.443 20.234 10.075 1.00 54.25 C ATOM 161 CD1 LEU A 12 14.520 19.409 11.349 1.00 31.44 C ATOM 162 CD2 LEU A 12 13.005 20.331 9.586 1.00 13.42 C ATOM 0 H LEU A 12 17.014 21.286 8.756 1.00 4.34 H new ATOM 0 HA LEU A 12 14.383 22.523 8.456 1.00 70.33 H new ATOM 0 HB2 LEU A 12 15.962 21.524 10.852 1.00 33.12 H new ATOM 0 HB3 LEU A 12 14.343 22.188 10.940 1.00 33.12 H new ATOM 0 HG LEU A 12 15.034 19.734 9.307 1.00 54.25 H new ATOM 0 HD11 LEU A 12 14.100 18.420 11.168 1.00 31.44 H new ATOM 0 HD12 LEU A 12 15.561 19.310 11.656 1.00 31.44 H new ATOM 0 HD13 LEU A 12 13.954 19.904 12.138 1.00 31.44 H new ATOM 0 HD21 LEU A 12 12.605 19.329 9.430 1.00 13.42 H new ATOM 0 HD22 LEU A 12 12.402 20.850 10.331 1.00 13.42 H new ATOM 0 HD23 LEU A 12 12.977 20.883 8.647 1.00 13.42 H new ATOM 174 N SER A 13 14.917 24.852 9.046 1.00 53.01 N ATOM 175 CA SER A 13 15.210 26.247 9.353 1.00 50.13 C ATOM 176 C SER A 13 14.210 26.803 10.362 1.00 3.12 C ATOM 177 O SER A 13 14.590 27.465 11.328 1.00 12.21 O ATOM 178 CB SER A 13 15.184 27.089 8.075 1.00 35.33 C ATOM 179 OG SER A 13 15.335 28.467 8.369 1.00 31.41 O ATOM 0 H SER A 13 14.056 24.708 8.518 1.00 53.01 H new ATOM 0 HA SER A 13 16.207 26.295 9.791 1.00 50.13 H new ATOM 0 HB2 SER A 13 15.983 26.767 7.407 1.00 35.33 H new ATOM 0 HB3 SER A 13 14.244 26.927 7.548 1.00 35.33 H new ATOM 0 HG SER A 13 15.317 28.983 7.536 1.00 31.41 H new ATOM 185 N SER A 14 12.930 26.529 10.131 1.00 65.32 N ATOM 186 CA SER A 14 11.874 27.004 11.017 1.00 24.00 C ATOM 187 C SER A 14 10.762 25.967 11.141 1.00 0.33 C ATOM 188 O SER A 14 10.496 25.211 10.206 1.00 2.24 O ATOM 189 CB SER A 14 11.301 28.324 10.499 1.00 10.53 C ATOM 190 OG SER A 14 11.659 29.403 11.346 1.00 64.12 O ATOM 0 H SER A 14 12.599 25.980 9.337 1.00 65.32 H new ATOM 0 HA SER A 14 12.307 27.167 12.004 1.00 24.00 H new ATOM 0 HB2 SER A 14 11.668 28.512 9.490 1.00 10.53 H new ATOM 0 HB3 SER A 14 10.215 28.253 10.435 1.00 10.53 H new ATOM 0 HG SER A 14 11.282 30.236 10.992 1.00 64.12 H new ATOM 196 N ILE A 15 10.116 25.939 12.302 1.00 72.41 N ATOM 197 CA ILE A 15 9.032 24.996 12.549 1.00 54.22 C ATOM 198 C ILE A 15 7.771 25.718 13.012 1.00 75.14 C ATOM 199 O ILE A 15 7.839 26.811 13.574 1.00 24.43 O ATOM 200 CB ILE A 15 9.427 23.948 13.606 1.00 73.13 C ATOM 201 CG1 ILE A 15 10.840 23.428 13.337 1.00 44.24 C ATOM 202 CG2 ILE A 15 8.427 22.801 13.613 1.00 23.23 C ATOM 203 CD1 ILE A 15 11.014 22.838 11.955 1.00 44.12 C ATOM 0 H ILE A 15 10.324 26.558 13.086 1.00 72.41 H new ATOM 0 HA ILE A 15 8.833 24.490 11.604 1.00 54.22 H new ATOM 0 HB ILE A 15 9.415 24.421 14.588 1.00 73.13 H new ATOM 0 HG12 ILE A 15 11.550 24.245 13.466 1.00 44.24 H new ATOM 0 HG13 ILE A 15 11.087 22.670 14.080 1.00 44.24 H new ATOM 0 HG21 ILE A 15 8.719 22.068 14.365 1.00 23.23 H new ATOM 0 HG22 ILE A 15 7.434 23.185 13.847 1.00 23.23 H new ATOM 0 HG23 ILE A 15 8.410 22.327 12.632 1.00 23.23 H new ATOM 0 HD11 ILE A 15 12.040 22.490 11.835 1.00 44.12 H new ATOM 0 HD12 ILE A 15 10.329 22.000 11.828 1.00 44.12 H new ATOM 0 HD13 ILE A 15 10.799 23.599 11.205 1.00 44.12 H new ATOM 215 N SER A 16 6.619 25.099 12.772 1.00 21.51 N ATOM 216 CA SER A 16 5.341 25.683 13.163 1.00 63.44 C ATOM 217 C SER A 16 4.507 24.683 13.958 1.00 62.45 C ATOM 218 O SER A 16 4.074 23.659 13.427 1.00 13.32 O ATOM 219 CB SER A 16 4.567 26.141 11.925 1.00 34.44 C ATOM 220 OG SER A 16 4.662 27.544 11.755 1.00 54.12 O ATOM 0 H SER A 16 6.545 24.193 12.309 1.00 21.51 H new ATOM 0 HA SER A 16 5.542 26.546 13.797 1.00 63.44 H new ATOM 0 HB2 SER A 16 4.958 25.637 11.041 1.00 34.44 H new ATOM 0 HB3 SER A 16 3.520 25.853 12.020 1.00 34.44 H new ATOM 0 HG SER A 16 4.161 27.811 10.957 1.00 54.12 H new ATOM 226 N ILE A 17 4.287 24.987 15.232 1.00 30.41 N ATOM 227 CA ILE A 17 3.504 24.116 16.100 1.00 24.24 C ATOM 228 C ILE A 17 2.236 24.813 16.579 1.00 12.44 C ATOM 229 O ILE A 17 2.242 26.012 16.859 1.00 1.20 O ATOM 230 CB ILE A 17 4.320 23.661 17.325 1.00 43.11 C ATOM 231 CG1 ILE A 17 5.730 23.245 16.900 1.00 40.03 C ATOM 232 CG2 ILE A 17 3.615 22.515 18.035 1.00 5.11 C ATOM 233 CD1 ILE A 17 6.601 22.795 18.052 1.00 14.21 C ATOM 0 H ILE A 17 4.640 25.829 15.686 1.00 30.41 H new ATOM 0 HA ILE A 17 3.234 23.242 15.508 1.00 24.24 H new ATOM 0 HB ILE A 17 4.402 24.497 18.019 1.00 43.11 H new ATOM 0 HG12 ILE A 17 5.658 22.436 16.173 1.00 40.03 H new ATOM 0 HG13 ILE A 17 6.211 24.084 16.397 1.00 40.03 H new ATOM 0 HG21 ILE A 17 4.204 22.205 18.898 1.00 5.11 H new ATOM 0 HG22 ILE A 17 2.630 22.843 18.367 1.00 5.11 H new ATOM 0 HG23 ILE A 17 3.505 21.675 17.349 1.00 5.11 H new ATOM 0 HD11 ILE A 17 7.585 22.515 17.676 1.00 14.21 H new ATOM 0 HD12 ILE A 17 6.704 23.609 18.770 1.00 14.21 H new ATOM 0 HD13 ILE A 17 6.142 21.936 18.541 1.00 14.21 H new ATOM 245 N SER A 18 1.149 24.054 16.673 1.00 11.15 N ATOM 246 CA SER A 18 -0.129 24.600 17.117 1.00 24.52 C ATOM 247 C SER A 18 -0.678 23.805 18.298 1.00 70.42 C ATOM 248 O SER A 18 -1.691 23.113 18.195 1.00 32.54 O ATOM 249 CB SER A 18 -1.138 24.590 15.968 1.00 40.44 C ATOM 250 OG SER A 18 -2.447 24.865 16.436 1.00 20.41 O ATOM 0 H SER A 18 1.127 23.059 16.448 1.00 11.15 H new ATOM 0 HA SER A 18 0.035 25.629 17.438 1.00 24.52 H new ATOM 0 HB2 SER A 18 -0.852 25.332 15.222 1.00 40.44 H new ATOM 0 HB3 SER A 18 -1.122 23.618 15.474 1.00 40.44 H new ATOM 0 HG SER A 18 -2.713 24.180 17.085 1.00 20.41 H new ATOM 256 N PRO A 19 0.006 23.905 19.447 1.00 30.12 N ATOM 257 CA PRO A 19 -0.394 23.203 20.670 1.00 12.14 C ATOM 258 C PRO A 19 -1.677 23.769 21.270 1.00 3.23 C ATOM 259 O PRO A 19 -2.031 24.923 21.025 1.00 72.41 O ATOM 260 CB PRO A 19 0.787 23.436 21.616 1.00 52.42 C ATOM 261 CG PRO A 19 1.415 24.698 21.133 1.00 64.34 C ATOM 262 CD PRO A 19 1.222 24.712 19.641 1.00 25.43 C ATOM 0 HA PRO A 19 -0.607 22.150 20.484 1.00 12.14 H new ATOM 0 HB2 PRO A 19 0.454 23.530 22.650 1.00 52.42 H new ATOM 0 HB3 PRO A 19 1.491 22.605 21.582 1.00 52.42 H new ATOM 0 HG2 PRO A 19 0.948 25.568 21.595 1.00 64.34 H new ATOM 0 HG3 PRO A 19 2.474 24.730 21.390 1.00 64.34 H new ATOM 0 HD2 PRO A 19 1.096 25.726 19.262 1.00 25.43 H new ATOM 0 HD3 PRO A 19 2.078 24.281 19.121 1.00 25.43 H new ATOM 270 N ILE A 20 -2.368 22.951 22.057 1.00 4.32 N ATOM 271 CA ILE A 20 -3.610 23.372 22.693 1.00 42.20 C ATOM 272 C ILE A 20 -3.660 22.926 24.150 1.00 34.42 C ATOM 273 O ILE A 20 -3.527 21.740 24.452 1.00 42.45 O ATOM 274 CB ILE A 20 -4.839 22.812 21.953 1.00 21.01 C ATOM 275 CG1 ILE A 20 -6.127 23.276 22.635 1.00 14.04 C ATOM 276 CG2 ILE A 20 -4.778 21.293 21.901 1.00 75.33 C ATOM 277 CD1 ILE A 20 -7.026 24.095 21.736 1.00 75.33 C ATOM 0 H ILE A 20 -2.089 21.993 22.269 1.00 4.32 H new ATOM 0 HA ILE A 20 -3.635 24.461 22.648 1.00 42.20 H new ATOM 0 HB ILE A 20 -4.834 23.192 20.931 1.00 21.01 H new ATOM 0 HG12 ILE A 20 -6.677 22.403 22.987 1.00 14.04 H new ATOM 0 HG13 ILE A 20 -5.870 23.867 23.514 1.00 14.04 H new ATOM 0 HG21 ILE A 20 -5.653 20.912 21.375 1.00 75.33 H new ATOM 0 HG22 ILE A 20 -3.875 20.983 21.375 1.00 75.33 H new ATOM 0 HG23 ILE A 20 -4.762 20.895 22.915 1.00 75.33 H new ATOM 0 HD11 ILE A 20 -7.920 24.389 22.286 1.00 75.33 H new ATOM 0 HD12 ILE A 20 -6.494 24.987 21.404 1.00 75.33 H new ATOM 0 HD13 ILE A 20 -7.313 23.500 20.869 1.00 75.33 H new ATOM 289 N ASN A 21 -3.856 23.883 25.051 1.00 51.55 N ATOM 290 CA ASN A 21 -3.926 23.589 26.477 1.00 21.21 C ATOM 291 C ASN A 21 -5.346 23.210 26.885 1.00 32.44 C ATOM 292 O ASN A 21 -6.225 24.066 26.988 1.00 40.32 O ATOM 293 CB ASN A 21 -3.454 24.795 27.292 1.00 61.31 C ATOM 294 CG ASN A 21 -2.176 25.400 26.742 1.00 35.43 C ATOM 295 OD1 ASN A 21 -1.255 24.683 26.351 1.00 73.31 O ATOM 296 ND2 ASN A 21 -2.116 26.726 26.711 1.00 62.21 N ATOM 0 H ASN A 21 -3.969 24.870 24.818 1.00 51.55 H new ATOM 0 HA ASN A 21 -3.270 22.743 26.680 1.00 21.21 H new ATOM 0 HB2 ASN A 21 -4.237 25.553 27.301 1.00 61.31 H new ATOM 0 HB3 ASN A 21 -3.293 24.491 28.326 1.00 61.31 H new ATOM 0 HD21 ASN A 21 -1.282 27.191 26.352 1.00 62.21 H new ATOM 0 HD22 ASN A 21 -2.904 27.280 27.046 1.00 62.21 H new ATOM 303 N THR A 22 -5.565 21.919 27.118 1.00 24.03 N ATOM 304 CA THR A 22 -6.877 21.425 27.515 1.00 53.42 C ATOM 305 C THR A 22 -6.777 20.513 28.732 1.00 50.10 C ATOM 306 O THR A 22 -5.716 19.962 29.021 1.00 44.34 O ATOM 307 CB THR A 22 -7.559 20.657 26.367 1.00 51.43 C ATOM 308 OG1 THR A 22 -6.956 21.009 25.116 1.00 31.23 O ATOM 309 CG2 THR A 22 -9.049 20.963 26.321 1.00 44.02 C ATOM 0 H THR A 22 -4.849 21.197 27.038 1.00 24.03 H new ATOM 0 HA THR A 22 -7.479 22.298 27.767 1.00 53.42 H new ATOM 0 HB THR A 22 -7.429 19.590 26.546 1.00 51.43 H new ATOM 0 HG1 THR A 22 -7.394 20.515 24.391 1.00 31.23 H new ATOM 0 HG21 THR A 22 -9.509 20.409 25.502 1.00 44.02 H new ATOM 0 HG22 THR A 22 -9.510 20.668 27.263 1.00 44.02 H new ATOM 0 HG23 THR A 22 -9.196 22.032 26.164 1.00 44.02 H new ATOM 317 N ASN A 23 -7.890 20.358 29.442 1.00 24.53 N ATOM 318 CA ASN A 23 -7.926 19.511 30.629 1.00 33.03 C ATOM 319 C ASN A 23 -8.739 18.246 30.370 1.00 21.03 C ATOM 320 O ASN A 23 -9.799 18.294 29.745 1.00 1.25 O ATOM 321 CB ASN A 23 -8.521 20.280 31.811 1.00 30.41 C ATOM 322 CG ASN A 23 -8.000 21.701 31.897 1.00 1.14 C ATOM 323 OD1 ASN A 23 -8.763 22.641 32.120 1.00 2.31 O ATOM 324 ND2 ASN A 23 -6.694 21.864 31.720 1.00 1.15 N ATOM 0 H ASN A 23 -8.778 20.807 29.217 1.00 24.53 H new ATOM 0 HA ASN A 23 -6.903 19.221 30.870 1.00 33.03 H new ATOM 0 HB2 ASN A 23 -9.607 20.299 31.719 1.00 30.41 H new ATOM 0 HB3 ASN A 23 -8.289 19.754 32.737 1.00 30.41 H new ATOM 0 HD21 ASN A 23 -6.286 22.798 31.767 1.00 1.15 H new ATOM 0 HD22 ASN A 23 -6.099 21.056 31.537 1.00 1.15 H new ATOM 331 N ILE A 24 -8.235 17.116 30.855 1.00 10.11 N ATOM 332 CA ILE A 24 -8.915 15.839 30.678 1.00 42.04 C ATOM 333 C ILE A 24 -8.817 14.984 31.937 1.00 45.33 C ATOM 334 O ILE A 24 -7.897 15.145 32.738 1.00 12.41 O ATOM 335 CB ILE A 24 -8.332 15.051 29.489 1.00 11.53 C ATOM 336 CG1 ILE A 24 -6.803 15.049 29.552 1.00 73.24 C ATOM 337 CG2 ILE A 24 -8.813 15.645 28.174 1.00 50.13 C ATOM 338 CD1 ILE A 24 -6.194 13.675 29.383 1.00 31.42 C ATOM 0 H ILE A 24 -7.358 17.059 31.373 1.00 10.11 H new ATOM 0 HA ILE A 24 -9.962 16.065 30.476 1.00 42.04 H new ATOM 0 HB ILE A 24 -8.681 14.020 29.548 1.00 11.53 H new ATOM 0 HG12 ILE A 24 -6.414 15.708 28.776 1.00 73.24 H new ATOM 0 HG13 ILE A 24 -6.486 15.463 30.509 1.00 73.24 H new ATOM 0 HG21 ILE A 24 -8.393 15.078 27.343 1.00 50.13 H new ATOM 0 HG22 ILE A 24 -9.901 15.600 28.131 1.00 50.13 H new ATOM 0 HG23 ILE A 24 -8.490 16.684 28.104 1.00 50.13 H new ATOM 0 HD11 ILE A 24 -5.108 13.749 29.438 1.00 31.42 H new ATOM 0 HD12 ILE A 24 -6.554 13.018 30.175 1.00 31.42 H new ATOM 0 HD13 ILE A 24 -6.481 13.267 28.414 1.00 31.42 H new ATOM 350 N ASN A 25 -9.770 14.073 32.103 1.00 50.42 N ATOM 351 CA ASN A 25 -9.790 13.191 33.264 1.00 14.41 C ATOM 352 C ASN A 25 -10.204 11.778 32.866 1.00 30.23 C ATOM 353 O ASN A 25 -10.793 11.566 31.806 1.00 75.01 O ATOM 354 CB ASN A 25 -10.748 13.735 34.327 1.00 63.03 C ATOM 355 CG ASN A 25 -10.760 12.885 35.583 1.00 40.22 C ATOM 356 OD1 ASN A 25 -11.821 12.576 36.126 1.00 64.32 O ATOM 357 ND2 ASN A 25 -9.577 12.504 36.051 1.00 51.04 N ATOM 0 H ASN A 25 -10.538 13.926 31.448 1.00 50.42 H new ATOM 0 HA ASN A 25 -8.782 13.152 33.678 1.00 14.41 H new ATOM 0 HB2 ASN A 25 -10.460 14.754 34.584 1.00 63.03 H new ATOM 0 HB3 ASN A 25 -11.756 13.783 33.914 1.00 63.03 H new ATOM 0 HD21 ASN A 25 -9.522 11.932 36.893 1.00 51.04 H new ATOM 0 HD22 ASN A 25 -8.723 12.784 35.568 1.00 51.04 H new ATOM 364 N THR A 26 -9.892 10.812 33.725 1.00 64.22 N ATOM 365 CA THR A 26 -10.230 9.418 33.464 1.00 42.53 C ATOM 366 C THR A 26 -9.445 8.876 32.275 1.00 74.15 C ATOM 367 O THR A 26 -9.932 8.021 31.533 1.00 14.43 O ATOM 368 CB THR A 26 -11.736 9.247 33.192 1.00 52.44 C ATOM 369 OG1 THR A 26 -12.467 10.328 33.782 1.00 45.50 O ATOM 370 CG2 THR A 26 -12.240 7.925 33.749 1.00 60.53 C ATOM 0 H THR A 26 -9.406 10.970 34.608 1.00 64.22 H new ATOM 0 HA THR A 26 -9.964 8.855 34.359 1.00 42.53 H new ATOM 0 HB THR A 26 -11.890 9.251 32.113 1.00 52.44 H new ATOM 0 HG1 THR A 26 -13.424 10.212 33.603 1.00 45.50 H new ATOM 0 HG21 THR A 26 -13.306 7.827 33.545 1.00 60.53 H new ATOM 0 HG22 THR A 26 -11.703 7.103 33.276 1.00 60.53 H new ATOM 0 HG23 THR A 26 -12.073 7.896 34.826 1.00 60.53 H new ATOM 378 N THR A 27 -8.227 9.377 32.097 1.00 23.41 N ATOM 379 CA THR A 27 -7.375 8.942 30.997 1.00 4.34 C ATOM 380 C THR A 27 -7.981 9.318 29.650 1.00 0.43 C ATOM 381 O THR A 27 -8.964 8.721 29.212 1.00 14.23 O ATOM 382 CB THR A 27 -7.141 7.420 31.035 1.00 3.22 C ATOM 383 OG1 THR A 27 -7.191 6.950 32.387 1.00 41.31 O ATOM 384 CG2 THR A 27 -5.796 7.064 30.419 1.00 75.24 C ATOM 0 H THR A 27 -7.808 10.085 32.701 1.00 23.41 H new ATOM 0 HA THR A 27 -6.419 9.452 31.117 1.00 4.34 H new ATOM 0 HB THR A 27 -7.928 6.939 30.454 1.00 3.22 H new ATOM 0 HG1 THR A 27 -7.043 5.981 32.402 1.00 41.31 H new ATOM 0 HG21 THR A 27 -5.653 5.984 30.457 1.00 75.24 H new ATOM 0 HG22 THR A 27 -5.771 7.397 29.381 1.00 75.24 H new ATOM 0 HG23 THR A 27 -4.999 7.556 30.977 1.00 75.24 H new ATOM 392 N VAL A 28 -7.388 10.312 28.996 1.00 0.33 N ATOM 393 CA VAL A 28 -7.869 10.767 27.697 1.00 10.03 C ATOM 394 C VAL A 28 -6.710 11.172 26.793 1.00 12.23 C ATOM 395 O VAL A 28 -5.611 11.458 27.267 1.00 44.12 O ATOM 396 CB VAL A 28 -8.834 11.959 27.842 1.00 60.21 C ATOM 397 CG1 VAL A 28 -9.616 12.172 26.555 1.00 72.12 C ATOM 398 CG2 VAL A 28 -9.775 11.742 29.018 1.00 43.54 C ATOM 0 H VAL A 28 -6.574 10.818 29.345 1.00 0.33 H new ATOM 0 HA VAL A 28 -8.402 9.930 27.246 1.00 10.03 H new ATOM 0 HB VAL A 28 -8.248 12.858 28.036 1.00 60.21 H new ATOM 0 HG11 VAL A 28 -10.293 13.018 26.676 1.00 72.12 H new ATOM 0 HG12 VAL A 28 -8.924 12.375 25.738 1.00 72.12 H new ATOM 0 HG13 VAL A 28 -10.193 11.276 26.327 1.00 72.12 H new ATOM 0 HG21 VAL A 28 -10.450 12.593 29.106 1.00 43.54 H new ATOM 0 HG22 VAL A 28 -10.356 10.834 28.856 1.00 43.54 H new ATOM 0 HG23 VAL A 28 -9.194 11.643 29.935 1.00 43.54 H new ATOM 408 N SER A 29 -6.965 11.195 25.489 1.00 45.22 N ATOM 409 CA SER A 29 -5.941 11.562 24.517 1.00 54.51 C ATOM 410 C SER A 29 -6.148 12.992 24.025 1.00 61.34 C ATOM 411 O SER A 29 -7.260 13.385 23.673 1.00 51.52 O ATOM 412 CB SER A 29 -5.963 10.595 23.332 1.00 24.21 C ATOM 413 OG SER A 29 -6.958 10.961 22.393 1.00 75.53 O ATOM 0 H SER A 29 -7.871 10.964 25.081 1.00 45.22 H new ATOM 0 HA SER A 29 -4.970 11.501 25.008 1.00 54.51 H new ATOM 0 HB2 SER A 29 -4.987 10.587 22.847 1.00 24.21 H new ATOM 0 HB3 SER A 29 -6.150 9.582 23.689 1.00 24.21 H new ATOM 0 HG SER A 29 -6.950 10.328 21.645 1.00 75.53 H new ATOM 419 N LYS A 30 -5.068 13.765 24.002 1.00 25.14 N ATOM 420 CA LYS A 30 -5.127 15.151 23.553 1.00 61.44 C ATOM 421 C LYS A 30 -4.516 15.298 22.163 1.00 73.04 C ATOM 422 O LYS A 30 -3.341 14.998 21.957 1.00 4.20 O ATOM 423 CB LYS A 30 -4.396 16.061 24.542 1.00 43.24 C ATOM 424 CG LYS A 30 -5.309 16.686 25.583 1.00 65.34 C ATOM 425 CD LYS A 30 -6.342 17.598 24.943 1.00 62.20 C ATOM 426 CE LYS A 30 -7.753 17.234 25.379 1.00 22.22 C ATOM 427 NZ LYS A 30 -8.780 17.794 24.458 1.00 60.53 N ATOM 0 H LYS A 30 -4.140 13.455 24.289 1.00 25.14 H new ATOM 0 HA LYS A 30 -6.175 15.447 23.504 1.00 61.44 H new ATOM 0 HB2 LYS A 30 -3.622 15.485 25.049 1.00 43.24 H new ATOM 0 HB3 LYS A 30 -3.893 16.854 23.989 1.00 43.24 H new ATOM 0 HG2 LYS A 30 -5.814 15.900 26.144 1.00 65.34 H new ATOM 0 HG3 LYS A 30 -4.713 17.254 26.297 1.00 65.34 H new ATOM 0 HD2 LYS A 30 -6.132 18.633 25.213 1.00 62.20 H new ATOM 0 HD3 LYS A 30 -6.266 17.530 23.858 1.00 62.20 H new ATOM 0 HE2 LYS A 30 -7.853 16.149 25.418 1.00 22.22 H new ATOM 0 HE3 LYS A 30 -7.929 17.606 26.388 1.00 22.22 H new ATOM 0 HZ1 LYS A 30 -9.727 17.641 24.860 1.00 60.53 H new ATOM 0 HZ2 LYS A 30 -8.617 18.814 24.335 1.00 60.53 H new ATOM 0 HZ3 LYS A 30 -8.715 17.319 23.535 1.00 60.53 H new ATOM 441 N GLN A 31 -5.322 15.762 21.213 1.00 13.43 N ATOM 442 CA GLN A 31 -4.860 15.950 19.843 1.00 23.03 C ATOM 443 C GLN A 31 -4.065 17.245 19.710 1.00 62.34 C ATOM 444 O GLN A 31 -4.473 18.291 20.215 1.00 62.32 O ATOM 445 CB GLN A 31 -6.047 15.965 18.879 1.00 31.21 C ATOM 446 CG GLN A 31 -6.439 14.585 18.376 1.00 52.14 C ATOM 447 CD GLN A 31 -5.800 14.247 17.043 1.00 22.44 C ATOM 448 OE1 GLN A 31 -6.455 13.723 16.142 1.00 34.43 O ATOM 449 NE2 GLN A 31 -4.513 14.545 16.911 1.00 4.23 N ATOM 0 H GLN A 31 -6.298 16.015 21.367 1.00 13.43 H new ATOM 0 HA GLN A 31 -4.206 15.116 19.589 1.00 23.03 H new ATOM 0 HB2 GLN A 31 -6.904 16.418 19.378 1.00 31.21 H new ATOM 0 HB3 GLN A 31 -5.804 16.598 18.026 1.00 31.21 H new ATOM 0 HG2 GLN A 31 -6.148 13.837 19.114 1.00 52.14 H new ATOM 0 HG3 GLN A 31 -7.523 14.532 18.279 1.00 52.14 H new ATOM 0 HE21 GLN A 31 -4.008 14.979 17.684 1.00 4.23 H new ATOM 0 HE22 GLN A 31 -4.029 14.340 16.037 1.00 4.23 H new ATOM 458 N PHE A 32 -2.928 17.167 19.026 1.00 4.14 N ATOM 459 CA PHE A 32 -2.074 18.333 18.827 1.00 33.34 C ATOM 460 C PHE A 32 -1.673 18.469 17.362 1.00 62.04 C ATOM 461 O PHE A 32 -1.837 17.538 16.572 1.00 2.42 O ATOM 462 CB PHE A 32 -0.824 18.231 19.703 1.00 3.21 C ATOM 463 CG PHE A 32 -1.123 18.206 21.175 1.00 42.52 C ATOM 464 CD1 PHE A 32 -2.113 19.016 21.707 1.00 34.34 C ATOM 465 CD2 PHE A 32 -0.414 17.374 22.025 1.00 22.24 C ATOM 466 CE1 PHE A 32 -2.390 18.995 23.061 1.00 0.44 C ATOM 467 CE2 PHE A 32 -0.686 17.349 23.380 1.00 32.13 C ATOM 468 CZ PHE A 32 -1.676 18.160 23.899 1.00 54.13 C ATOM 0 H PHE A 32 -2.577 16.309 18.600 1.00 4.14 H new ATOM 0 HA PHE A 32 -2.639 19.220 19.114 1.00 33.34 H new ATOM 0 HB2 PHE A 32 -0.276 17.327 19.436 1.00 3.21 H new ATOM 0 HB3 PHE A 32 -0.169 19.076 19.488 1.00 3.21 H new ATOM 0 HD1 PHE A 32 -2.674 19.671 21.057 1.00 34.34 H new ATOM 0 HD2 PHE A 32 0.361 16.737 21.624 1.00 22.24 H new ATOM 0 HE1 PHE A 32 -3.164 19.631 23.464 1.00 0.44 H new ATOM 0 HE2 PHE A 32 -0.125 16.696 24.032 1.00 32.13 H new ATOM 0 HZ PHE A 32 -1.892 18.142 24.957 1.00 54.13 H new ATOM 478 N PHE A 33 -1.146 19.636 17.005 1.00 74.35 N ATOM 479 CA PHE A 33 -0.723 19.896 15.634 1.00 65.34 C ATOM 480 C PHE A 33 0.779 20.157 15.569 1.00 4.00 C ATOM 481 O PHE A 33 1.331 20.880 16.398 1.00 14.31 O ATOM 482 CB PHE A 33 -1.485 21.092 15.060 1.00 61.12 C ATOM 483 CG PHE A 33 -2.514 20.711 14.034 1.00 31.24 C ATOM 484 CD1 PHE A 33 -3.641 19.992 14.399 1.00 54.42 C ATOM 485 CD2 PHE A 33 -2.354 21.071 12.706 1.00 61.51 C ATOM 486 CE1 PHE A 33 -4.591 19.640 13.458 1.00 43.42 C ATOM 487 CE2 PHE A 33 -3.300 20.722 11.761 1.00 61.23 C ATOM 488 CZ PHE A 33 -4.419 20.005 12.137 1.00 70.23 C ATOM 0 H PHE A 33 -1.002 20.416 17.646 1.00 74.35 H new ATOM 0 HA PHE A 33 -0.947 19.012 15.037 1.00 65.34 H new ATOM 0 HB2 PHE A 33 -1.976 21.625 15.875 1.00 61.12 H new ATOM 0 HB3 PHE A 33 -0.773 21.784 14.610 1.00 61.12 H new ATOM 0 HD1 PHE A 33 -3.779 19.703 15.430 1.00 54.42 H new ATOM 0 HD2 PHE A 33 -1.480 21.631 12.406 1.00 61.51 H new ATOM 0 HE1 PHE A 33 -5.466 19.081 13.755 1.00 43.42 H new ATOM 0 HE2 PHE A 33 -3.164 21.010 10.729 1.00 61.23 H new ATOM 0 HZ PHE A 33 -5.158 19.730 11.399 1.00 70.23 H new ATOM 498 N ALA A 34 1.435 19.562 14.578 1.00 4.10 N ATOM 499 CA ALA A 34 2.873 19.731 14.403 1.00 34.05 C ATOM 500 C ALA A 34 3.245 19.772 12.925 1.00 10.43 C ATOM 501 O ALA A 34 3.010 18.814 12.189 1.00 43.45 O ATOM 502 CB ALA A 34 3.625 18.612 15.108 1.00 31.21 C ATOM 0 H ALA A 34 0.994 18.959 13.884 1.00 4.10 H new ATOM 0 HA ALA A 34 3.159 20.684 14.849 1.00 34.05 H new ATOM 0 HB1 ALA A 34 4.697 18.750 14.969 1.00 31.21 H new ATOM 0 HB2 ALA A 34 3.391 18.631 16.173 1.00 31.21 H new ATOM 0 HB3 ALA A 34 3.326 17.652 14.688 1.00 31.21 H new ATOM 508 N VAL A 35 3.826 20.889 12.497 1.00 22.42 N ATOM 509 CA VAL A 35 4.231 21.055 11.106 1.00 24.45 C ATOM 510 C VAL A 35 5.682 21.514 11.008 1.00 72.32 C ATOM 511 O VAL A 35 6.133 22.352 11.787 1.00 21.11 O ATOM 512 CB VAL A 35 3.332 22.070 10.377 1.00 1.53 C ATOM 513 CG1 VAL A 35 3.638 22.082 8.887 1.00 22.24 C ATOM 514 CG2 VAL A 35 1.865 21.757 10.626 1.00 15.01 C ATOM 0 H VAL A 35 4.027 21.692 13.093 1.00 22.42 H new ATOM 0 HA VAL A 35 4.128 20.081 10.627 1.00 24.45 H new ATOM 0 HB VAL A 35 3.540 23.064 10.774 1.00 1.53 H new ATOM 0 HG11 VAL A 35 2.993 22.805 8.389 1.00 22.24 H new ATOM 0 HG12 VAL A 35 4.681 22.359 8.732 1.00 22.24 H new ATOM 0 HG13 VAL A 35 3.460 21.090 8.471 1.00 22.24 H new ATOM 0 HG21 VAL A 35 1.244 22.484 10.103 1.00 15.01 H new ATOM 0 HG22 VAL A 35 1.639 20.756 10.258 1.00 15.01 H new ATOM 0 HG23 VAL A 35 1.659 21.806 11.695 1.00 15.01 H new ATOM 524 N GLY A 36 6.408 20.958 10.043 1.00 45.34 N ATOM 525 CA GLY A 36 7.801 21.323 9.859 1.00 50.31 C ATOM 526 C GLY A 36 8.034 22.094 8.575 1.00 53.13 C ATOM 527 O GLY A 36 7.439 21.788 7.541 1.00 62.34 O ATOM 0 H GLY A 36 6.057 20.262 9.386 1.00 45.34 H new ATOM 0 HA2 GLY A 36 8.130 21.925 10.706 1.00 50.31 H new ATOM 0 HA3 GLY A 36 8.412 20.420 9.853 1.00 50.31 H new ATOM 531 N THR A 37 8.901 23.100 8.639 1.00 53.03 N ATOM 532 CA THR A 37 9.209 23.919 7.473 1.00 15.12 C ATOM 533 C THR A 37 10.655 23.726 7.032 1.00 11.11 C ATOM 534 O THR A 37 11.584 23.906 7.820 1.00 34.22 O ATOM 535 CB THR A 37 8.965 25.413 7.757 1.00 42.44 C ATOM 536 OG1 THR A 37 8.234 25.568 8.978 1.00 75.31 O ATOM 537 CG2 THR A 37 8.198 26.063 6.615 1.00 63.04 C ATOM 0 H THR A 37 9.402 23.367 9.486 1.00 53.03 H new ATOM 0 HA THR A 37 8.543 23.595 6.674 1.00 15.12 H new ATOM 0 HB THR A 37 9.934 25.904 7.850 1.00 42.44 H new ATOM 0 HG1 THR A 37 8.843 25.464 9.739 1.00 75.31 H new ATOM 0 HG21 THR A 37 8.038 27.118 6.838 1.00 63.04 H new ATOM 0 HG22 THR A 37 8.771 25.970 5.693 1.00 63.04 H new ATOM 0 HG23 THR A 37 7.235 25.567 6.495 1.00 63.04 H new ATOM 545 N TYR A 38 10.839 23.360 5.769 1.00 42.24 N ATOM 546 CA TYR A 38 12.174 23.141 5.223 1.00 15.21 C ATOM 547 C TYR A 38 12.749 24.435 4.655 1.00 72.12 C ATOM 548 O TYR A 38 12.014 25.289 4.158 1.00 22.23 O ATOM 549 CB TYR A 38 12.133 22.067 4.135 1.00 34.01 C ATOM 550 CG TYR A 38 11.596 20.738 4.616 1.00 34.12 C ATOM 551 CD1 TYR A 38 12.242 20.028 5.621 1.00 51.02 C ATOM 552 CD2 TYR A 38 10.443 20.192 4.066 1.00 72.41 C ATOM 553 CE1 TYR A 38 11.755 18.813 6.063 1.00 5.12 C ATOM 554 CE2 TYR A 38 9.948 18.978 4.503 1.00 3.11 C ATOM 555 CZ TYR A 38 10.608 18.293 5.502 1.00 62.43 C ATOM 556 OH TYR A 38 10.120 17.083 5.939 1.00 74.21 O ATOM 0 H TYR A 38 10.081 23.209 5.103 1.00 42.24 H new ATOM 0 HA TYR A 38 12.820 22.803 6.034 1.00 15.21 H new ATOM 0 HB2 TYR A 38 11.516 22.421 3.309 1.00 34.01 H new ATOM 0 HB3 TYR A 38 13.139 21.922 3.741 1.00 34.01 H new ATOM 0 HD1 TYR A 38 13.140 20.433 6.064 1.00 51.02 H new ATOM 0 HD2 TYR A 38 9.924 20.726 3.283 1.00 72.41 H new ATOM 0 HE1 TYR A 38 12.270 18.273 6.844 1.00 5.12 H new ATOM 0 HE2 TYR A 38 9.050 18.568 4.065 1.00 3.11 H new ATOM 0 HH TYR A 38 9.305 16.860 5.442 1.00 74.21 H new ATOM 566 N SER A 39 14.069 24.572 4.731 1.00 33.24 N ATOM 567 CA SER A 39 14.744 25.762 4.228 1.00 63.10 C ATOM 568 C SER A 39 14.466 25.956 2.741 1.00 52.54 C ATOM 569 O SER A 39 14.618 27.056 2.208 1.00 65.22 O ATOM 570 CB SER A 39 16.252 25.658 4.467 1.00 71.12 C ATOM 571 OG SER A 39 16.862 26.936 4.438 1.00 2.52 O ATOM 0 H SER A 39 14.692 23.873 5.136 1.00 33.24 H new ATOM 0 HA SER A 39 14.356 26.626 4.768 1.00 63.10 H new ATOM 0 HB2 SER A 39 16.439 25.184 5.431 1.00 71.12 H new ATOM 0 HB3 SER A 39 16.701 25.020 3.706 1.00 71.12 H new ATOM 0 HG SER A 39 17.825 26.843 4.595 1.00 2.52 H new ATOM 577 N ASP A 40 14.057 24.881 2.076 1.00 13.34 N ATOM 578 CA ASP A 40 13.755 24.932 0.650 1.00 4.24 C ATOM 579 C ASP A 40 12.492 25.747 0.391 1.00 61.03 C ATOM 580 O ASP A 40 12.178 26.076 -0.752 1.00 53.42 O ATOM 581 CB ASP A 40 13.589 23.518 0.092 1.00 40.12 C ATOM 582 CG ASP A 40 14.473 23.264 -1.113 1.00 51.14 C ATOM 583 OD1 ASP A 40 14.148 23.775 -2.205 1.00 72.13 O ATOM 584 OD2 ASP A 40 15.489 22.554 -0.965 1.00 24.51 O ATOM 0 H ASP A 40 13.927 23.963 2.502 1.00 13.34 H new ATOM 0 HA ASP A 40 14.589 25.418 0.144 1.00 4.24 H new ATOM 0 HB2 ASP A 40 13.825 22.793 0.871 1.00 40.12 H new ATOM 0 HB3 ASP A 40 12.547 23.360 -0.186 1.00 40.12 H new ATOM 589 N GLY A 41 11.771 26.068 1.460 1.00 15.14 N ATOM 590 CA GLY A 41 10.549 26.840 1.327 1.00 42.53 C ATOM 591 C GLY A 41 9.316 25.964 1.234 1.00 21.22 C ATOM 592 O GLY A 41 8.421 26.220 0.428 1.00 11.32 O ATOM 0 H GLY A 41 12.011 25.807 2.416 1.00 15.14 H new ATOM 0 HA2 GLY A 41 10.451 27.510 2.182 1.00 42.53 H new ATOM 0 HA3 GLY A 41 10.614 27.466 0.437 1.00 42.53 H new ATOM 596 N THR A 42 9.268 24.923 2.061 1.00 51.54 N ATOM 597 CA THR A 42 8.137 24.004 2.067 1.00 42.01 C ATOM 598 C THR A 42 7.628 23.769 3.484 1.00 35.12 C ATOM 599 O THR A 42 8.286 24.130 4.460 1.00 52.11 O ATOM 600 CB THR A 42 8.511 22.649 1.437 1.00 43.23 C ATOM 601 OG1 THR A 42 9.747 22.766 0.723 1.00 61.43 O ATOM 602 CG2 THR A 42 7.418 22.171 0.493 1.00 31.23 C ATOM 0 H THR A 42 9.999 24.696 2.735 1.00 51.54 H new ATOM 0 HA THR A 42 7.350 24.468 1.473 1.00 42.01 H new ATOM 0 HB THR A 42 8.622 21.919 2.238 1.00 43.23 H new ATOM 0 HG1 THR A 42 9.979 21.900 0.327 1.00 61.43 H new ATOM 0 HG21 THR A 42 7.705 21.212 0.060 1.00 31.23 H new ATOM 0 HG22 THR A 42 6.485 22.056 1.045 1.00 31.23 H new ATOM 0 HG23 THR A 42 7.280 22.902 -0.304 1.00 31.23 H new ATOM 610 N LYS A 43 6.451 23.161 3.592 1.00 62.45 N ATOM 611 CA LYS A 43 5.853 22.875 4.890 1.00 32.41 C ATOM 612 C LYS A 43 5.020 21.598 4.836 1.00 21.21 C ATOM 613 O LYS A 43 4.240 21.393 3.907 1.00 51.33 O ATOM 614 CB LYS A 43 4.979 24.047 5.341 1.00 2.24 C ATOM 615 CG LYS A 43 3.821 24.340 4.403 1.00 65.22 C ATOM 616 CD LYS A 43 3.036 25.561 4.850 1.00 35.24 C ATOM 617 CE LYS A 43 1.551 25.254 4.971 1.00 55.44 C ATOM 618 NZ LYS A 43 0.760 26.468 5.317 1.00 61.01 N ATOM 0 H LYS A 43 5.892 22.857 2.795 1.00 62.45 H new ATOM 0 HA LYS A 43 6.659 22.732 5.610 1.00 32.41 H new ATOM 0 HB2 LYS A 43 4.585 23.834 6.335 1.00 2.24 H new ATOM 0 HB3 LYS A 43 5.599 24.939 5.428 1.00 2.24 H new ATOM 0 HG2 LYS A 43 4.201 24.500 3.394 1.00 65.22 H new ATOM 0 HG3 LYS A 43 3.158 23.476 4.361 1.00 65.22 H new ATOM 0 HD2 LYS A 43 3.417 25.908 5.811 1.00 35.24 H new ATOM 0 HD3 LYS A 43 3.184 26.372 4.137 1.00 35.24 H new ATOM 0 HE2 LYS A 43 1.188 24.840 4.030 1.00 55.44 H new ATOM 0 HE3 LYS A 43 1.399 24.491 5.735 1.00 55.44 H new ATOM 0 HZ1 LYS A 43 -0.247 26.217 5.390 1.00 61.01 H new ATOM 0 HZ2 LYS A 43 1.089 26.849 6.227 1.00 61.01 H new ATOM 0 HZ3 LYS A 43 0.885 27.187 4.576 1.00 61.01 H new ATOM 632 N ALA A 44 5.191 20.743 5.839 1.00 35.32 N ATOM 633 CA ALA A 44 4.452 19.488 5.907 1.00 31.12 C ATOM 634 C ALA A 44 4.057 19.161 7.343 1.00 34.31 C ATOM 635 O ALA A 44 4.898 19.152 8.242 1.00 71.30 O ATOM 636 CB ALA A 44 5.278 18.356 5.314 1.00 4.33 C ATOM 0 H ALA A 44 5.835 20.896 6.615 1.00 35.32 H new ATOM 0 HA ALA A 44 3.539 19.601 5.323 1.00 31.12 H new ATOM 0 HB1 ALA A 44 4.714 17.425 5.371 1.00 4.33 H new ATOM 0 HB2 ALA A 44 5.505 18.579 4.271 1.00 4.33 H new ATOM 0 HB3 ALA A 44 6.208 18.252 5.874 1.00 4.33 H new ATOM 642 N ASP A 45 2.772 18.893 7.552 1.00 43.22 N ATOM 643 CA ASP A 45 2.265 18.565 8.879 1.00 4.02 C ATOM 644 C ASP A 45 2.750 17.187 9.321 1.00 51.54 C ATOM 645 O ASP A 45 2.104 16.174 9.049 1.00 4.11 O ATOM 646 CB ASP A 45 0.737 18.609 8.890 1.00 14.41 C ATOM 647 CG ASP A 45 0.130 17.971 7.656 1.00 21.42 C ATOM 648 OD1 ASP A 45 0.790 17.096 7.056 1.00 15.43 O ATOM 649 OD2 ASP A 45 -1.004 18.345 7.290 1.00 43.40 O ATOM 0 H ASP A 45 2.063 18.897 6.819 1.00 43.22 H new ATOM 0 HA ASP A 45 2.647 19.307 9.580 1.00 4.02 H new ATOM 0 HB2 ASP A 45 0.368 18.097 9.779 1.00 14.41 H new ATOM 0 HB3 ASP A 45 0.407 19.645 8.959 1.00 14.41 H new ATOM 654 N LEU A 46 3.890 17.157 10.001 1.00 3.22 N ATOM 655 CA LEU A 46 4.463 15.904 10.480 1.00 73.42 C ATOM 656 C LEU A 46 4.723 15.962 11.981 1.00 5.35 C ATOM 657 O LEU A 46 5.426 16.850 12.467 1.00 61.40 O ATOM 658 CB LEU A 46 5.764 15.598 9.736 1.00 31.42 C ATOM 659 CG LEU A 46 5.726 14.405 8.779 1.00 12.54 C ATOM 660 CD1 LEU A 46 6.994 14.352 7.942 1.00 4.12 C ATOM 661 CD2 LEU A 46 5.539 13.108 9.552 1.00 63.44 C ATOM 0 H LEU A 46 4.436 17.986 10.233 1.00 3.22 H new ATOM 0 HA LEU A 46 3.745 15.107 10.286 1.00 73.42 H new ATOM 0 HB2 LEU A 46 6.052 16.484 9.169 1.00 31.42 H new ATOM 0 HB3 LEU A 46 6.548 15.422 10.473 1.00 31.42 H new ATOM 0 HG LEU A 46 4.877 14.529 8.107 1.00 12.54 H new ATOM 0 HD11 LEU A 46 6.949 13.497 7.267 1.00 4.12 H new ATOM 0 HD12 LEU A 46 7.084 15.269 7.360 1.00 4.12 H new ATOM 0 HD13 LEU A 46 7.859 14.252 8.598 1.00 4.12 H new ATOM 0 HD21 LEU A 46 5.514 12.270 8.856 1.00 63.44 H new ATOM 0 HD22 LEU A 46 6.367 12.977 10.248 1.00 63.44 H new ATOM 0 HD23 LEU A 46 4.601 13.147 10.107 1.00 63.44 H new ATOM 673 N THR A 47 4.154 15.010 12.714 1.00 64.55 N ATOM 674 CA THR A 47 4.326 14.952 14.160 1.00 72.23 C ATOM 675 C THR A 47 5.146 13.734 14.568 1.00 63.41 C ATOM 676 O THR A 47 5.622 13.644 15.700 1.00 54.42 O ATOM 677 CB THR A 47 2.968 14.908 14.885 1.00 13.31 C ATOM 678 OG1 THR A 47 2.372 13.615 14.734 1.00 65.25 O ATOM 679 CG2 THR A 47 2.028 15.972 14.338 1.00 73.10 C ATOM 0 H THR A 47 3.569 14.268 12.329 1.00 64.55 H new ATOM 0 HA THR A 47 4.857 15.858 14.452 1.00 72.23 H new ATOM 0 HB THR A 47 3.140 15.106 15.943 1.00 13.31 H new ATOM 0 HG1 THR A 47 1.446 13.715 14.431 1.00 65.25 H new ATOM 0 HG21 THR A 47 1.075 15.922 14.865 1.00 73.10 H new ATOM 0 HG22 THR A 47 2.471 16.958 14.482 1.00 73.10 H new ATOM 0 HG23 THR A 47 1.863 15.800 13.274 1.00 73.10 H new ATOM 687 N SER A 48 5.309 12.797 13.639 1.00 45.34 N ATOM 688 CA SER A 48 6.071 11.582 13.903 1.00 13.13 C ATOM 689 C SER A 48 7.570 11.850 13.816 1.00 0.42 C ATOM 690 O SER A 48 8.372 11.168 14.454 1.00 40.30 O ATOM 691 CB SER A 48 5.679 10.484 12.913 1.00 62.22 C ATOM 692 OG SER A 48 6.306 9.256 13.239 1.00 63.40 O ATOM 0 H SER A 48 4.923 12.856 12.697 1.00 45.34 H new ATOM 0 HA SER A 48 5.838 11.250 14.915 1.00 13.13 H new ATOM 0 HB2 SER A 48 4.597 10.356 12.917 1.00 62.22 H new ATOM 0 HB3 SER A 48 5.961 10.783 11.903 1.00 62.22 H new ATOM 0 HG SER A 48 5.899 8.886 14.050 1.00 63.40 H new ATOM 698 N SER A 49 7.941 12.849 13.021 1.00 12.35 N ATOM 699 CA SER A 49 9.344 13.207 12.847 1.00 73.43 C ATOM 700 C SER A 49 9.855 14.003 14.043 1.00 14.15 C ATOM 701 O SER A 49 10.953 13.759 14.544 1.00 73.34 O ATOM 702 CB SER A 49 9.529 14.018 11.563 1.00 1.10 C ATOM 703 OG SER A 49 10.386 13.347 10.655 1.00 54.31 O ATOM 0 H SER A 49 7.290 13.425 12.487 1.00 12.35 H new ATOM 0 HA SER A 49 9.922 12.286 12.773 1.00 73.43 H new ATOM 0 HB2 SER A 49 8.560 14.189 11.094 1.00 1.10 H new ATOM 0 HB3 SER A 49 9.944 14.997 11.804 1.00 1.10 H new ATOM 0 HG SER A 49 10.487 13.885 9.842 1.00 54.31 H new ATOM 709 N VAL A 50 9.049 14.958 14.498 1.00 24.02 N ATOM 710 CA VAL A 50 9.418 15.791 15.637 1.00 72.22 C ATOM 711 C VAL A 50 9.652 14.945 16.883 1.00 23.13 C ATOM 712 O VAL A 50 9.137 13.833 16.999 1.00 35.42 O ATOM 713 CB VAL A 50 8.332 16.841 15.939 1.00 61.30 C ATOM 714 CG1 VAL A 50 8.299 17.903 14.851 1.00 3.43 C ATOM 715 CG2 VAL A 50 6.973 16.174 16.085 1.00 33.34 C ATOM 0 H VAL A 50 8.137 15.174 14.095 1.00 24.02 H new ATOM 0 HA VAL A 50 10.343 16.302 15.370 1.00 72.22 H new ATOM 0 HB VAL A 50 8.575 17.329 16.883 1.00 61.30 H new ATOM 0 HG11 VAL A 50 7.526 18.636 15.081 1.00 3.43 H new ATOM 0 HG12 VAL A 50 9.267 18.401 14.799 1.00 3.43 H new ATOM 0 HG13 VAL A 50 8.080 17.434 13.892 1.00 3.43 H new ATOM 0 HG21 VAL A 50 6.218 16.930 16.298 1.00 33.34 H new ATOM 0 HG22 VAL A 50 6.719 15.659 15.159 1.00 33.34 H new ATOM 0 HG23 VAL A 50 7.007 15.454 16.903 1.00 33.34 H new ATOM 725 N THR A 51 10.434 15.479 17.816 1.00 5.41 N ATOM 726 CA THR A 51 10.739 14.774 19.055 1.00 55.13 C ATOM 727 C THR A 51 9.829 15.235 20.188 1.00 52.34 C ATOM 728 O THR A 51 9.812 16.414 20.542 1.00 42.11 O ATOM 729 CB THR A 51 12.206 14.981 19.473 1.00 3.34 C ATOM 730 OG1 THR A 51 13.011 15.253 18.321 1.00 50.04 O ATOM 731 CG2 THR A 51 12.742 13.753 20.194 1.00 10.30 C ATOM 0 H THR A 51 10.868 16.399 17.737 1.00 5.41 H new ATOM 0 HA THR A 51 10.570 13.714 18.865 1.00 55.13 H new ATOM 0 HB THR A 51 12.249 15.831 20.154 1.00 3.34 H new ATOM 0 HG1 THR A 51 12.859 16.175 18.026 1.00 50.04 H new ATOM 0 HG21 THR A 51 13.780 13.923 20.480 1.00 10.30 H new ATOM 0 HG22 THR A 51 12.146 13.566 21.087 1.00 10.30 H new ATOM 0 HG23 THR A 51 12.685 12.889 19.532 1.00 10.30 H new ATOM 739 N TRP A 52 9.074 14.299 20.752 1.00 4.52 N ATOM 740 CA TRP A 52 8.162 14.611 21.847 1.00 70.04 C ATOM 741 C TRP A 52 8.709 14.099 23.174 1.00 24.32 C ATOM 742 O TRP A 52 8.950 12.903 23.337 1.00 65.43 O ATOM 743 CB TRP A 52 6.785 14.001 21.579 1.00 0.01 C ATOM 744 CG TRP A 52 5.716 15.026 21.346 1.00 25.12 C ATOM 745 CD1 TRP A 52 4.497 15.092 21.957 1.00 32.40 C ATOM 746 CD2 TRP A 52 5.772 16.130 20.436 1.00 11.15 C ATOM 747 NE1 TRP A 52 3.791 16.170 21.482 1.00 55.32 N ATOM 748 CE2 TRP A 52 4.551 16.824 20.549 1.00 61.12 C ATOM 749 CE3 TRP A 52 6.734 16.601 19.540 1.00 43.43 C ATOM 750 CZ2 TRP A 52 4.270 17.961 19.797 1.00 51.52 C ATOM 751 CZ3 TRP A 52 6.454 17.730 18.794 1.00 54.41 C ATOM 752 CH2 TRP A 52 5.230 18.401 18.927 1.00 63.35 C ATOM 0 H TRP A 52 9.075 13.319 20.470 1.00 4.52 H new ATOM 0 HA TRP A 52 8.066 15.695 21.910 1.00 70.04 H new ATOM 0 HB2 TRP A 52 6.848 13.348 20.709 1.00 0.01 H new ATOM 0 HB3 TRP A 52 6.501 13.377 22.426 1.00 0.01 H new ATOM 0 HD1 TRP A 52 4.140 14.398 22.704 1.00 32.40 H new ATOM 0 HE1 TRP A 52 2.852 16.440 21.776 1.00 55.32 H new ATOM 0 HE3 TRP A 52 7.680 16.092 19.432 1.00 43.43 H new ATOM 0 HZ2 TRP A 52 3.327 18.478 19.897 1.00 51.52 H new ATOM 0 HZ3 TRP A 52 7.190 18.102 18.097 1.00 54.41 H new ATOM 0 HH2 TRP A 52 5.041 19.282 18.331 1.00 63.35 H new ATOM 763 N SER A 53 8.903 15.011 24.121 1.00 2.21 N ATOM 764 CA SER A 53 9.426 14.651 25.434 1.00 11.20 C ATOM 765 C SER A 53 8.596 15.291 26.543 1.00 31.41 C ATOM 766 O SER A 53 8.632 16.505 26.739 1.00 2.30 O ATOM 767 CB SER A 53 10.888 15.085 25.561 1.00 74.42 C ATOM 768 OG SER A 53 11.765 14.014 25.258 1.00 41.15 O ATOM 0 H SER A 53 8.706 16.005 24.004 1.00 2.21 H new ATOM 0 HA SER A 53 9.366 13.568 25.537 1.00 11.20 H new ATOM 0 HB2 SER A 53 11.083 15.920 24.888 1.00 74.42 H new ATOM 0 HB3 SER A 53 11.079 15.440 26.574 1.00 74.42 H new ATOM 0 HG SER A 53 12.693 14.317 25.345 1.00 41.15 H new ATOM 774 N SER A 54 7.848 14.463 27.266 1.00 22.11 N ATOM 775 CA SER A 54 7.006 14.946 28.353 1.00 15.55 C ATOM 776 C SER A 54 7.619 14.606 29.708 1.00 35.04 C ATOM 777 O SER A 54 8.392 13.657 29.831 1.00 23.41 O ATOM 778 CB SER A 54 5.604 14.342 28.249 1.00 61.25 C ATOM 779 OG SER A 54 5.117 13.960 29.523 1.00 14.32 O ATOM 0 H SER A 54 7.808 13.455 27.118 1.00 22.11 H new ATOM 0 HA SER A 54 6.934 16.030 28.268 1.00 15.55 H new ATOM 0 HB2 SER A 54 4.925 15.066 27.799 1.00 61.25 H new ATOM 0 HB3 SER A 54 5.627 13.474 27.590 1.00 61.25 H new ATOM 0 HG SER A 54 4.219 13.579 29.429 1.00 14.32 H new ATOM 785 N SER A 55 7.266 15.389 30.724 1.00 65.54 N ATOM 786 CA SER A 55 7.784 15.174 32.070 1.00 62.53 C ATOM 787 C SER A 55 7.634 13.712 32.483 1.00 42.45 C ATOM 788 O SER A 55 8.607 12.959 32.504 1.00 54.34 O ATOM 789 CB SER A 55 7.056 16.075 33.069 1.00 63.11 C ATOM 790 OG SER A 55 7.602 17.383 33.067 1.00 34.21 O ATOM 0 H SER A 55 6.624 16.177 30.640 1.00 65.54 H new ATOM 0 HA SER A 55 8.844 15.426 32.069 1.00 62.53 H new ATOM 0 HB2 SER A 55 5.996 16.119 32.818 1.00 63.11 H new ATOM 0 HB3 SER A 55 7.129 15.648 34.069 1.00 63.11 H new ATOM 0 HG SER A 55 6.900 18.030 32.848 1.00 34.21 H new ATOM 796 N ASN A 56 6.408 13.320 32.810 1.00 35.42 N ATOM 797 CA ASN A 56 6.129 11.949 33.223 1.00 13.03 C ATOM 798 C ASN A 56 6.514 10.961 32.127 1.00 45.14 C ATOM 799 O ASN A 56 5.959 10.990 31.029 1.00 41.32 O ATOM 800 CB ASN A 56 4.647 11.790 33.570 1.00 11.31 C ATOM 801 CG ASN A 56 4.350 12.144 35.015 1.00 61.14 C ATOM 802 OD1 ASN A 56 4.494 11.312 35.911 1.00 53.40 O ATOM 803 ND2 ASN A 56 3.933 13.383 35.246 1.00 2.24 N ATOM 0 H ASN A 56 5.592 13.931 32.797 1.00 35.42 H new ATOM 0 HA ASN A 56 6.728 11.734 34.108 1.00 13.03 H new ATOM 0 HB2 ASN A 56 4.053 12.426 32.914 1.00 11.31 H new ATOM 0 HB3 ASN A 56 4.341 10.761 33.380 1.00 11.31 H new ATOM 0 HD21 ASN A 56 3.717 13.679 36.198 1.00 2.24 H new ATOM 0 HD22 ASN A 56 3.828 14.039 34.472 1.00 2.24 H new ATOM 810 N GLN A 57 7.469 10.088 32.433 1.00 14.00 N ATOM 811 CA GLN A 57 7.928 9.091 31.473 1.00 3.42 C ATOM 812 C GLN A 57 6.785 8.176 31.049 1.00 55.35 C ATOM 813 O GLN A 57 6.761 7.677 29.923 1.00 14.44 O ATOM 814 CB GLN A 57 9.065 8.262 32.072 1.00 23.24 C ATOM 815 CG GLN A 57 10.344 8.299 31.251 1.00 0.53 C ATOM 816 CD GLN A 57 10.696 6.950 30.657 1.00 21.12 C ATOM 817 OE1 GLN A 57 11.632 6.287 31.104 1.00 5.05 O ATOM 818 NE2 GLN A 57 9.945 6.535 29.644 1.00 64.05 N ATOM 0 H GLN A 57 7.939 10.051 33.337 1.00 14.00 H new ATOM 0 HA GLN A 57 8.295 9.615 30.591 1.00 3.42 H new ATOM 0 HB2 GLN A 57 9.278 8.626 33.077 1.00 23.24 H new ATOM 0 HB3 GLN A 57 8.736 7.227 32.170 1.00 23.24 H new ATOM 0 HG2 GLN A 57 10.235 9.028 30.448 1.00 0.53 H new ATOM 0 HG3 GLN A 57 11.166 8.640 31.881 1.00 0.53 H new ATOM 0 HE21 GLN A 57 9.179 7.117 29.305 1.00 64.05 H new ATOM 0 HE22 GLN A 57 10.134 5.634 29.204 1.00 64.05 H new ATOM 827 N SER A 58 5.838 7.960 31.956 1.00 21.24 N ATOM 828 CA SER A 58 4.693 7.101 31.677 1.00 1.12 C ATOM 829 C SER A 58 3.639 7.848 30.866 1.00 60.15 C ATOM 830 O SER A 58 3.071 7.305 29.919 1.00 75.22 O ATOM 831 CB SER A 58 4.081 6.591 32.983 1.00 12.22 C ATOM 832 OG SER A 58 4.929 5.644 33.608 1.00 31.53 O ATOM 0 H SER A 58 5.841 8.368 32.891 1.00 21.24 H new ATOM 0 HA SER A 58 5.042 6.251 31.091 1.00 1.12 H new ATOM 0 HB2 SER A 58 3.907 7.429 33.658 1.00 12.22 H new ATOM 0 HB3 SER A 58 3.111 6.137 32.781 1.00 12.22 H new ATOM 0 HG SER A 58 4.516 5.335 34.441 1.00 31.53 H new ATOM 838 N GLN A 59 3.384 9.096 31.244 1.00 5.23 N ATOM 839 CA GLN A 59 2.398 9.918 30.552 1.00 24.15 C ATOM 840 C GLN A 59 2.994 10.539 29.294 1.00 44.33 C ATOM 841 O GLN A 59 2.316 11.266 28.568 1.00 64.44 O ATOM 842 CB GLN A 59 1.878 11.017 31.481 1.00 74.44 C ATOM 843 CG GLN A 59 1.307 10.489 32.787 1.00 5.55 C ATOM 844 CD GLN A 59 1.596 11.405 33.961 1.00 33.31 C ATOM 845 OE1 GLN A 59 1.728 12.618 33.799 1.00 5.11 O ATOM 846 NE2 GLN A 59 1.694 10.827 35.153 1.00 60.24 N ATOM 0 H GLN A 59 3.846 9.560 32.026 1.00 5.23 H new ATOM 0 HA GLN A 59 1.567 9.276 30.259 1.00 24.15 H new ATOM 0 HB2 GLN A 59 2.691 11.709 31.703 1.00 74.44 H new ATOM 0 HB3 GLN A 59 1.108 11.586 30.961 1.00 74.44 H new ATOM 0 HG2 GLN A 59 0.229 10.365 32.684 1.00 5.55 H new ATOM 0 HG3 GLN A 59 1.724 9.502 32.989 1.00 5.55 H new ATOM 0 HE21 GLN A 59 1.577 9.818 35.241 1.00 60.24 H new ATOM 0 HE22 GLN A 59 1.886 11.393 35.980 1.00 60.24 H new ATOM 855 N ALA A 60 4.267 10.249 29.042 1.00 54.11 N ATOM 856 CA ALA A 60 4.953 10.778 27.870 1.00 3.10 C ATOM 857 C ALA A 60 4.847 9.817 26.691 1.00 51.01 C ATOM 858 O ALA A 60 5.850 9.277 26.224 1.00 30.21 O ATOM 859 CB ALA A 60 6.413 11.058 28.195 1.00 21.13 C ATOM 0 H ALA A 60 4.843 9.651 29.634 1.00 54.11 H new ATOM 0 HA ALA A 60 4.469 11.713 27.588 1.00 3.10 H new ATOM 0 HB1 ALA A 60 6.913 11.453 27.311 1.00 21.13 H new ATOM 0 HB2 ALA A 60 6.473 11.788 29.002 1.00 21.13 H new ATOM 0 HB3 ALA A 60 6.900 10.134 28.505 1.00 21.13 H new ATOM 865 N LYS A 61 3.625 9.607 26.213 1.00 31.14 N ATOM 866 CA LYS A 61 3.386 8.711 25.088 1.00 43.11 C ATOM 867 C LYS A 61 2.597 9.416 23.989 1.00 20.14 C ATOM 868 O LYS A 61 1.641 10.141 24.266 1.00 43.15 O ATOM 869 CB LYS A 61 2.631 7.464 25.553 1.00 1.13 C ATOM 870 CG LYS A 61 3.326 6.162 25.193 1.00 2.45 C ATOM 871 CD LYS A 61 3.407 5.225 26.387 1.00 43.23 C ATOM 872 CE LYS A 61 4.484 4.168 26.193 1.00 54.00 C ATOM 873 NZ LYS A 61 4.027 2.823 26.642 1.00 43.35 N ATOM 0 H LYS A 61 2.784 10.046 26.588 1.00 31.14 H new ATOM 0 HA LYS A 61 4.353 8.412 24.683 1.00 43.11 H new ATOM 0 HB2 LYS A 61 2.502 7.510 26.634 1.00 1.13 H new ATOM 0 HB3 LYS A 61 1.634 7.468 25.112 1.00 1.13 H new ATOM 0 HG2 LYS A 61 2.787 5.673 24.381 1.00 2.45 H new ATOM 0 HG3 LYS A 61 4.330 6.374 24.827 1.00 2.45 H new ATOM 0 HD2 LYS A 61 3.618 5.800 27.289 1.00 43.23 H new ATOM 0 HD3 LYS A 61 2.442 4.740 26.537 1.00 43.23 H new ATOM 0 HE2 LYS A 61 4.764 4.124 25.141 1.00 54.00 H new ATOM 0 HE3 LYS A 61 5.377 4.453 26.749 1.00 54.00 H new ATOM 0 HZ1 LYS A 61 4.788 2.130 26.494 1.00 43.35 H new ATOM 0 HZ2 LYS A 61 3.783 2.859 27.652 1.00 43.35 H new ATOM 0 HZ3 LYS A 61 3.190 2.540 26.094 1.00 43.35 H new ATOM 887 N VAL A 62 3.002 9.197 22.742 1.00 0.03 N ATOM 888 CA VAL A 62 2.331 9.809 21.602 1.00 51.21 C ATOM 889 C VAL A 62 2.151 8.807 20.467 1.00 33.14 C ATOM 890 O VAL A 62 2.997 7.939 20.252 1.00 54.13 O ATOM 891 CB VAL A 62 3.114 11.027 21.077 1.00 64.11 C ATOM 892 CG1 VAL A 62 2.928 12.221 22.001 1.00 63.30 C ATOM 893 CG2 VAL A 62 4.589 10.685 20.924 1.00 51.52 C ATOM 0 H VAL A 62 3.792 8.600 22.496 1.00 0.03 H new ATOM 0 HA VAL A 62 1.352 10.138 21.951 1.00 51.21 H new ATOM 0 HB VAL A 62 2.722 11.294 20.096 1.00 64.11 H new ATOM 0 HG11 VAL A 62 3.489 13.072 21.614 1.00 63.30 H new ATOM 0 HG12 VAL A 62 1.870 12.478 22.055 1.00 63.30 H new ATOM 0 HG13 VAL A 62 3.292 11.970 22.997 1.00 63.30 H new ATOM 0 HG21 VAL A 62 5.128 11.556 20.552 1.00 51.52 H new ATOM 0 HG22 VAL A 62 4.997 10.392 21.891 1.00 51.52 H new ATOM 0 HG23 VAL A 62 4.700 9.861 20.219 1.00 51.52 H new ATOM 903 N SER A 63 1.043 8.933 19.744 1.00 14.01 N ATOM 904 CA SER A 63 0.749 8.036 18.633 1.00 60.13 C ATOM 905 C SER A 63 1.206 8.643 17.309 1.00 35.15 C ATOM 906 O SER A 63 0.700 8.290 16.245 1.00 20.20 O ATOM 907 CB SER A 63 -0.749 7.732 18.577 1.00 33.32 C ATOM 908 OG SER A 63 -0.994 6.487 17.945 1.00 1.22 O ATOM 0 H SER A 63 0.334 9.648 19.908 1.00 14.01 H new ATOM 0 HA SER A 63 1.295 7.107 18.795 1.00 60.13 H new ATOM 0 HB2 SER A 63 -1.158 7.717 19.587 1.00 33.32 H new ATOM 0 HB3 SER A 63 -1.264 8.526 18.036 1.00 33.32 H new ATOM 0 HG SER A 63 -0.567 6.478 17.063 1.00 1.22 H new ATOM 914 N ASN A 64 2.166 9.559 17.386 1.00 75.11 N ATOM 915 CA ASN A 64 2.691 10.217 16.195 1.00 70.51 C ATOM 916 C ASN A 64 3.342 9.204 15.257 1.00 55.41 C ATOM 917 O ASN A 64 4.399 8.653 15.559 1.00 22.14 O ATOM 918 CB ASN A 64 3.707 11.292 16.587 1.00 74.33 C ATOM 919 CG ASN A 64 4.892 10.720 17.340 1.00 1.00 C ATOM 920 OD1 ASN A 64 4.811 9.636 17.918 1.00 75.03 O ATOM 921 ND2 ASN A 64 6.002 11.449 17.337 1.00 1.01 N ATOM 0 H ASN A 64 2.596 9.862 18.260 1.00 75.11 H new ATOM 0 HA ASN A 64 1.858 10.687 15.672 1.00 70.51 H new ATOM 0 HB2 ASN A 64 4.061 11.798 15.689 1.00 74.33 H new ATOM 0 HB3 ASN A 64 3.216 12.044 17.205 1.00 74.33 H new ATOM 0 HD21 ASN A 64 6.832 11.116 17.827 1.00 1.01 H new ATOM 0 HD22 ASN A 64 6.024 12.342 16.845 1.00 1.01 H new ATOM 928 N ALA A 65 2.701 8.966 14.117 1.00 65.12 N ATOM 929 CA ALA A 65 3.219 8.023 13.133 1.00 33.42 C ATOM 930 C ALA A 65 2.333 7.982 11.893 1.00 74.12 C ATOM 931 O ALA A 65 2.821 7.821 10.774 1.00 1.44 O ATOM 932 CB ALA A 65 3.338 6.635 13.745 1.00 72.41 C ATOM 0 H ALA A 65 1.823 9.413 13.852 1.00 65.12 H new ATOM 0 HA ALA A 65 4.210 8.360 12.829 1.00 33.42 H new ATOM 0 HB1 ALA A 65 3.726 5.941 13.000 1.00 72.41 H new ATOM 0 HB2 ALA A 65 4.017 6.670 14.597 1.00 72.41 H new ATOM 0 HB3 ALA A 65 2.356 6.299 14.078 1.00 72.41 H new ATOM 938 N SER A 66 1.028 8.128 12.098 1.00 35.44 N ATOM 939 CA SER A 66 0.073 8.103 10.997 1.00 73.15 C ATOM 940 C SER A 66 0.383 9.201 9.984 1.00 64.33 C ATOM 941 O SER A 66 0.430 8.953 8.779 1.00 23.23 O ATOM 942 CB SER A 66 -1.353 8.270 11.526 1.00 71.05 C ATOM 943 OG SER A 66 -1.935 7.014 11.828 1.00 32.02 O ATOM 0 H SER A 66 0.608 8.265 13.017 1.00 35.44 H new ATOM 0 HA SER A 66 0.157 7.138 10.498 1.00 73.15 H new ATOM 0 HB2 SER A 66 -1.342 8.894 12.420 1.00 71.05 H new ATOM 0 HB3 SER A 66 -1.961 8.787 10.784 1.00 71.05 H new ATOM 0 HG SER A 66 -2.845 7.148 12.166 1.00 32.02 H new ATOM 949 N GLU A 67 0.595 10.415 10.482 1.00 32.33 N ATOM 950 CA GLU A 67 0.900 11.551 9.621 1.00 2.11 C ATOM 951 C GLU A 67 1.064 12.827 10.442 1.00 41.23 C ATOM 952 O GLU A 67 2.180 13.296 10.666 1.00 4.24 O ATOM 953 CB GLU A 67 -0.204 11.740 8.578 1.00 3.35 C ATOM 954 CG GLU A 67 0.215 11.350 7.171 1.00 42.30 C ATOM 955 CD GLU A 67 -0.909 10.703 6.386 1.00 32.10 C ATOM 956 OE1 GLU A 67 -2.079 11.083 6.603 1.00 1.22 O ATOM 957 OE2 GLU A 67 -0.620 9.817 5.555 1.00 30.34 O ATOM 0 H GLU A 67 0.561 10.637 11.477 1.00 32.33 H new ATOM 0 HA GLU A 67 1.841 11.345 9.110 1.00 2.11 H new ATOM 0 HB2 GLU A 67 -1.071 11.146 8.867 1.00 3.35 H new ATOM 0 HB3 GLU A 67 -0.518 12.784 8.578 1.00 3.35 H new ATOM 0 HG2 GLU A 67 0.560 12.237 6.640 1.00 42.30 H new ATOM 0 HG3 GLU A 67 1.059 10.662 7.225 1.00 42.30 H new ATOM 964 N THR A 68 -0.057 13.386 10.887 1.00 73.41 N ATOM 965 CA THR A 68 -0.040 14.608 11.681 1.00 64.23 C ATOM 966 C THR A 68 -0.881 14.456 12.943 1.00 64.21 C ATOM 967 O THR A 68 -1.377 15.439 13.493 1.00 74.02 O ATOM 968 CB THR A 68 -0.561 15.811 10.872 1.00 62.41 C ATOM 969 OG1 THR A 68 -0.415 17.014 11.634 1.00 31.24 O ATOM 970 CG2 THR A 68 -2.022 15.617 10.495 1.00 62.12 C ATOM 0 H THR A 68 -0.989 13.011 10.711 1.00 73.41 H new ATOM 0 HA THR A 68 0.998 14.789 11.960 1.00 64.23 H new ATOM 0 HB THR A 68 0.027 15.888 9.957 1.00 62.41 H new ATOM 0 HG1 THR A 68 -0.785 16.880 12.532 1.00 31.24 H new ATOM 0 HG21 THR A 68 -2.368 16.479 9.924 1.00 62.12 H new ATOM 0 HG22 THR A 68 -2.125 14.716 9.890 1.00 62.12 H new ATOM 0 HG23 THR A 68 -2.621 15.517 11.400 1.00 62.12 H new ATOM 978 N LYS A 69 -1.037 13.218 13.399 1.00 65.52 N ATOM 979 CA LYS A 69 -1.816 12.936 14.598 1.00 31.24 C ATOM 980 C LYS A 69 -1.339 13.788 15.770 1.00 21.00 C ATOM 981 O LYS A 69 -1.917 14.833 16.066 1.00 45.12 O ATOM 982 CB LYS A 69 -1.717 11.452 14.959 1.00 23.03 C ATOM 983 CG LYS A 69 -2.716 10.578 14.222 1.00 53.25 C ATOM 984 CD LYS A 69 -4.147 10.939 14.585 1.00 60.31 C ATOM 985 CE LYS A 69 -4.979 11.234 13.346 1.00 32.24 C ATOM 986 NZ LYS A 69 -5.072 10.051 12.446 1.00 14.22 N ATOM 0 H LYS A 69 -0.633 12.393 12.955 1.00 65.52 H new ATOM 0 HA LYS A 69 -2.857 13.184 14.391 1.00 31.24 H new ATOM 0 HB2 LYS A 69 -0.709 11.100 14.740 1.00 23.03 H new ATOM 0 HB3 LYS A 69 -1.869 11.337 16.032 1.00 23.03 H new ATOM 0 HG2 LYS A 69 -2.574 10.688 13.147 1.00 53.25 H new ATOM 0 HG3 LYS A 69 -2.532 9.531 14.462 1.00 53.25 H new ATOM 0 HD2 LYS A 69 -4.600 10.119 15.142 1.00 60.31 H new ATOM 0 HD3 LYS A 69 -4.149 11.809 15.241 1.00 60.31 H new ATOM 0 HE2 LYS A 69 -5.981 11.542 13.646 1.00 32.24 H new ATOM 0 HE3 LYS A 69 -4.538 12.070 12.803 1.00 32.24 H new ATOM 0 HZ1 LYS A 69 -5.859 10.183 11.779 1.00 14.22 H new ATOM 0 HZ2 LYS A 69 -4.183 9.947 11.917 1.00 14.22 H new ATOM 0 HZ3 LYS A 69 -5.240 9.196 13.013 1.00 14.22 H new ATOM 1000 N GLY A 70 -0.279 13.334 16.433 1.00 14.42 N ATOM 1001 CA GLY A 70 0.258 14.068 17.564 1.00 51.40 C ATOM 1002 C GLY A 70 -0.472 13.759 18.856 1.00 54.32 C ATOM 1003 O GLY A 70 -0.068 14.208 19.929 1.00 1.12 O ATOM 0 H GLY A 70 0.217 12.472 16.207 1.00 14.42 H new ATOM 0 HA2 GLY A 70 1.315 13.827 17.681 1.00 51.40 H new ATOM 0 HA3 GLY A 70 0.195 15.137 17.362 1.00 51.40 H new ATOM 1007 N LEU A 71 -1.552 12.992 18.754 1.00 12.30 N ATOM 1008 CA LEU A 71 -2.343 12.625 19.924 1.00 64.32 C ATOM 1009 C LEU A 71 -1.452 12.064 21.028 1.00 33.31 C ATOM 1010 O LEU A 71 -0.669 11.142 20.800 1.00 32.54 O ATOM 1011 CB LEU A 71 -3.409 11.597 19.541 1.00 64.31 C ATOM 1012 CG LEU A 71 -2.891 10.258 19.013 1.00 14.02 C ATOM 1013 CD1 LEU A 71 -3.273 9.129 19.957 1.00 21.45 C ATOM 1014 CD2 LEU A 71 -3.430 9.992 17.615 1.00 32.31 C ATOM 0 H LEU A 71 -1.900 12.612 17.874 1.00 12.30 H new ATOM 0 HA LEU A 71 -2.832 13.524 20.299 1.00 64.32 H new ATOM 0 HB2 LEU A 71 -4.030 11.404 20.416 1.00 64.31 H new ATOM 0 HB3 LEU A 71 -4.055 12.039 18.782 1.00 64.31 H new ATOM 0 HG LEU A 71 -1.803 10.306 18.958 1.00 14.02 H new ATOM 0 HD11 LEU A 71 -2.896 8.184 19.565 1.00 21.45 H new ATOM 0 HD12 LEU A 71 -2.839 9.314 20.940 1.00 21.45 H new ATOM 0 HD13 LEU A 71 -4.358 9.079 20.044 1.00 21.45 H new ATOM 0 HD21 LEU A 71 -3.051 9.035 17.255 1.00 32.31 H new ATOM 0 HD22 LEU A 71 -4.519 9.963 17.644 1.00 32.31 H new ATOM 0 HD23 LEU A 71 -3.106 10.787 16.943 1.00 32.31 H new ATOM 1026 N VAL A 72 -1.579 12.625 22.226 1.00 14.42 N ATOM 1027 CA VAL A 72 -0.789 12.179 23.367 1.00 10.33 C ATOM 1028 C VAL A 72 -1.669 11.514 24.419 1.00 74.40 C ATOM 1029 O VAL A 72 -2.780 11.970 24.695 1.00 24.52 O ATOM 1030 CB VAL A 72 -0.030 13.351 24.017 1.00 44.54 C ATOM 1031 CG1 VAL A 72 -1.003 14.327 24.661 1.00 42.14 C ATOM 1032 CG2 VAL A 72 0.974 12.836 25.037 1.00 63.45 C ATOM 0 H VAL A 72 -2.222 13.390 22.432 1.00 14.42 H new ATOM 0 HA VAL A 72 -0.069 11.454 22.988 1.00 10.33 H new ATOM 0 HB VAL A 72 0.518 13.882 23.238 1.00 44.54 H new ATOM 0 HG11 VAL A 72 -0.448 15.148 25.115 1.00 42.14 H new ATOM 0 HG12 VAL A 72 -1.678 14.722 23.902 1.00 42.14 H new ATOM 0 HG13 VAL A 72 -1.581 13.812 25.428 1.00 42.14 H new ATOM 0 HG21 VAL A 72 1.501 13.678 25.486 1.00 63.45 H new ATOM 0 HG22 VAL A 72 0.450 12.280 25.814 1.00 63.45 H new ATOM 0 HG23 VAL A 72 1.691 12.181 24.543 1.00 63.45 H new ATOM 1042 N THR A 73 -1.167 10.431 25.005 1.00 43.23 N ATOM 1043 CA THR A 73 -1.907 9.701 26.026 1.00 10.31 C ATOM 1044 C THR A 73 -1.162 9.709 27.356 1.00 13.32 C ATOM 1045 O THR A 73 0.066 9.762 27.391 1.00 43.35 O ATOM 1046 CB THR A 73 -2.161 8.243 25.602 1.00 64.55 C ATOM 1047 OG1 THR A 73 -2.342 8.170 24.183 1.00 64.41 O ATOM 1048 CG2 THR A 73 -3.387 7.680 26.304 1.00 71.11 C ATOM 0 H THR A 73 -0.250 10.040 24.789 1.00 43.23 H new ATOM 0 HA THR A 73 -2.864 10.208 26.145 1.00 10.31 H new ATOM 0 HB THR A 73 -1.293 7.649 25.889 1.00 64.55 H new ATOM 0 HG1 THR A 73 -2.501 7.239 23.921 1.00 64.41 H new ATOM 0 HG21 THR A 73 -3.546 6.649 25.988 1.00 71.11 H new ATOM 0 HG22 THR A 73 -3.234 7.710 27.383 1.00 71.11 H new ATOM 0 HG23 THR A 73 -4.261 8.277 26.045 1.00 71.11 H new ATOM 1056 N GLY A 74 -1.915 9.656 28.451 1.00 22.31 N ATOM 1057 CA GLY A 74 -1.308 9.657 29.769 1.00 2.33 C ATOM 1058 C GLY A 74 -1.629 8.403 30.557 1.00 33.21 C ATOM 1059 O GLY A 74 -2.652 7.758 30.321 1.00 44.45 O ATOM 0 H GLY A 74 -2.934 9.612 28.448 1.00 22.31 H new ATOM 0 HA2 GLY A 74 -0.227 9.752 29.667 1.00 2.33 H new ATOM 0 HA3 GLY A 74 -1.653 10.529 30.324 1.00 2.33 H new ATOM 1063 N ILE A 75 -0.755 8.054 31.495 1.00 44.53 N ATOM 1064 CA ILE A 75 -0.951 6.868 32.319 1.00 42.50 C ATOM 1065 C ILE A 75 -1.486 7.240 33.698 1.00 63.21 C ATOM 1066 O ILE A 75 -2.420 6.617 34.201 1.00 70.42 O ATOM 1067 CB ILE A 75 0.359 6.075 32.485 1.00 10.52 C ATOM 1068 CG1 ILE A 75 0.888 5.631 31.120 1.00 21.53 C ATOM 1069 CG2 ILE A 75 0.139 4.873 33.392 1.00 50.54 C ATOM 1070 CD1 ILE A 75 -0.018 4.648 30.412 1.00 52.42 C ATOM 0 H ILE A 75 0.096 8.576 31.703 1.00 44.53 H new ATOM 0 HA ILE A 75 -1.681 6.243 31.805 1.00 42.50 H new ATOM 0 HB ILE A 75 1.103 6.723 32.948 1.00 10.52 H new ATOM 0 HG12 ILE A 75 1.022 6.509 30.488 1.00 21.53 H new ATOM 0 HG13 ILE A 75 1.871 5.178 31.250 1.00 21.53 H new ATOM 0 HG21 ILE A 75 1.074 4.323 33.500 1.00 50.54 H new ATOM 0 HG22 ILE A 75 -0.197 5.213 34.372 1.00 50.54 H new ATOM 0 HG23 ILE A 75 -0.618 4.221 32.955 1.00 50.54 H new ATOM 0 HD11 ILE A 75 0.419 4.377 29.451 1.00 52.42 H new ATOM 0 HD12 ILE A 75 -0.133 3.753 31.024 1.00 52.42 H new ATOM 0 HD13 ILE A 75 -0.994 5.105 30.250 1.00 52.42 H new ATOM 1082 N ALA A 76 -0.888 8.260 34.303 1.00 5.44 N ATOM 1083 CA ALA A 76 -1.306 8.718 35.623 1.00 71.24 C ATOM 1084 C ALA A 76 -1.663 10.200 35.602 1.00 40.20 C ATOM 1085 O ALA A 76 -1.507 10.872 34.582 1.00 33.22 O ATOM 1086 CB ALA A 76 -0.212 8.451 36.646 1.00 70.54 C ATOM 0 H ALA A 76 -0.112 8.786 33.900 1.00 5.44 H new ATOM 0 HA ALA A 76 -2.198 8.160 35.908 1.00 71.24 H new ATOM 0 HB1 ALA A 76 -0.538 8.798 37.626 1.00 70.54 H new ATOM 0 HB2 ALA A 76 -0.008 7.381 36.689 1.00 70.54 H new ATOM 0 HB3 ALA A 76 0.695 8.982 36.356 1.00 70.54 H new ATOM 1092 N SER A 77 -2.143 10.704 36.734 1.00 11.43 N ATOM 1093 CA SER A 77 -2.527 12.107 36.844 1.00 25.05 C ATOM 1094 C SER A 77 -1.296 12.996 36.997 1.00 12.14 C ATOM 1095 O SER A 77 -0.165 12.546 36.819 1.00 52.34 O ATOM 1096 CB SER A 77 -3.467 12.309 38.034 1.00 24.45 C ATOM 1097 OG SER A 77 -2.754 12.275 39.259 1.00 41.12 O ATOM 0 H SER A 77 -2.275 10.162 37.588 1.00 11.43 H new ATOM 0 HA SER A 77 -3.047 12.389 35.928 1.00 25.05 H new ATOM 0 HB2 SER A 77 -3.983 13.264 37.936 1.00 24.45 H new ATOM 0 HB3 SER A 77 -4.232 11.532 38.033 1.00 24.45 H new ATOM 0 HG SER A 77 -3.377 12.408 40.004 1.00 41.12 H new ATOM 1103 N GLY A 78 -1.527 14.263 37.330 1.00 63.21 N ATOM 1104 CA GLY A 78 -0.429 15.196 37.501 1.00 2.25 C ATOM 1105 C GLY A 78 -0.392 16.254 36.416 1.00 13.14 C ATOM 1106 O GLY A 78 -1.322 16.366 35.618 1.00 5.01 O ATOM 0 H GLY A 78 -2.454 14.659 37.484 1.00 63.21 H new ATOM 0 HA2 GLY A 78 -0.516 15.680 38.474 1.00 2.25 H new ATOM 0 HA3 GLY A 78 0.513 14.647 37.501 1.00 2.25 H new ATOM 1110 N ASN A 79 0.684 17.034 36.388 1.00 31.41 N ATOM 1111 CA ASN A 79 0.837 18.090 35.394 1.00 34.31 C ATOM 1112 C ASN A 79 2.040 17.821 34.495 1.00 12.03 C ATOM 1113 O ASN A 79 3.049 18.526 34.539 1.00 34.53 O ATOM 1114 CB ASN A 79 0.993 19.447 36.082 1.00 52.51 C ATOM 1115 CG ASN A 79 -0.234 19.833 36.886 1.00 23.55 C ATOM 1116 OD1 ASN A 79 -1.269 20.194 36.326 1.00 3.15 O ATOM 1117 ND2 ASN A 79 -0.122 19.757 38.208 1.00 73.45 N ATOM 0 H ASN A 79 1.463 16.955 37.042 1.00 31.41 H new ATOM 0 HA ASN A 79 -0.060 18.105 34.775 1.00 34.31 H new ATOM 0 HB2 ASN A 79 1.861 19.420 36.740 1.00 52.51 H new ATOM 0 HB3 ASN A 79 1.187 20.212 35.330 1.00 52.51 H new ATOM 0 HD21 ASN A 79 -0.914 20.003 38.802 1.00 73.45 H new ATOM 0 HD22 ASN A 79 0.756 19.452 38.629 1.00 73.45 H new ATOM 1124 N PRO A 80 1.933 16.778 33.659 1.00 35.32 N ATOM 1125 CA PRO A 80 3.001 16.392 32.733 1.00 5.21 C ATOM 1126 C PRO A 80 3.184 17.403 31.606 1.00 71.54 C ATOM 1127 O PRO A 80 2.376 17.467 30.678 1.00 21.12 O ATOM 1128 CB PRO A 80 2.521 15.050 32.176 1.00 61.02 C ATOM 1129 CG PRO A 80 1.038 15.092 32.312 1.00 2.04 C ATOM 1130 CD PRO A 80 0.759 15.894 33.553 1.00 2.32 C ATOM 0 HA PRO A 80 3.971 16.340 33.228 1.00 5.21 H new ATOM 0 HB2 PRO A 80 2.820 14.924 31.135 1.00 61.02 H new ATOM 0 HB3 PRO A 80 2.946 14.215 32.733 1.00 61.02 H new ATOM 0 HG2 PRO A 80 0.579 15.553 31.438 1.00 2.04 H new ATOM 0 HG3 PRO A 80 0.625 14.087 32.396 1.00 2.04 H new ATOM 0 HD2 PRO A 80 -0.166 16.463 33.464 1.00 2.32 H new ATOM 0 HD3 PRO A 80 0.657 15.255 34.430 1.00 2.32 H new ATOM 1138 N THR A 81 4.251 18.191 31.690 1.00 20.14 N ATOM 1139 CA THR A 81 4.539 19.199 30.678 1.00 61.33 C ATOM 1140 C THR A 81 5.098 18.561 29.411 1.00 4.11 C ATOM 1141 O THR A 81 6.097 17.841 29.456 1.00 54.50 O ATOM 1142 CB THR A 81 5.542 20.246 31.197 1.00 13.52 C ATOM 1143 OG1 THR A 81 6.035 19.857 32.484 1.00 61.24 O ATOM 1144 CG2 THR A 81 4.890 21.618 31.292 1.00 24.13 C ATOM 0 H THR A 81 4.931 18.150 32.450 1.00 20.14 H new ATOM 0 HA THR A 81 3.596 19.694 30.447 1.00 61.33 H new ATOM 0 HB THR A 81 6.372 20.303 30.493 1.00 13.52 H new ATOM 0 HG1 THR A 81 6.673 20.527 32.806 1.00 61.24 H new ATOM 0 HG21 THR A 81 5.617 22.342 31.661 1.00 24.13 H new ATOM 0 HG22 THR A 81 4.541 21.924 30.306 1.00 24.13 H new ATOM 0 HG23 THR A 81 4.044 21.572 31.978 1.00 24.13 H new ATOM 1152 N ILE A 82 4.450 18.830 28.283 1.00 51.10 N ATOM 1153 CA ILE A 82 4.885 18.283 27.004 1.00 54.54 C ATOM 1154 C ILE A 82 5.788 19.265 26.265 1.00 53.23 C ATOM 1155 O ILE A 82 5.382 20.386 25.956 1.00 33.00 O ATOM 1156 CB ILE A 82 3.684 17.931 26.105 1.00 44.31 C ATOM 1157 CG1 ILE A 82 2.791 16.897 26.792 1.00 32.15 C ATOM 1158 CG2 ILE A 82 4.166 17.412 24.758 1.00 15.02 C ATOM 1159 CD1 ILE A 82 1.595 16.484 25.963 1.00 43.44 C ATOM 0 H ILE A 82 3.622 19.423 28.229 1.00 51.10 H new ATOM 0 HA ILE A 82 5.444 17.373 27.223 1.00 54.54 H new ATOM 0 HB ILE A 82 3.098 18.834 25.936 1.00 44.31 H new ATOM 0 HG12 ILE A 82 3.385 16.013 27.024 1.00 32.15 H new ATOM 0 HG13 ILE A 82 2.442 17.304 27.741 1.00 32.15 H new ATOM 0 HG21 ILE A 82 3.307 17.167 24.134 1.00 15.02 H new ATOM 0 HG22 ILE A 82 4.766 18.178 24.266 1.00 15.02 H new ATOM 0 HG23 ILE A 82 4.772 16.518 24.908 1.00 15.02 H new ATOM 0 HD11 ILE A 82 1.007 15.749 26.513 1.00 43.44 H new ATOM 0 HD12 ILE A 82 0.978 17.358 25.753 1.00 43.44 H new ATOM 0 HD13 ILE A 82 1.936 16.047 25.025 1.00 43.44 H new ATOM 1171 N ILE A 83 7.013 18.836 25.983 1.00 62.02 N ATOM 1172 CA ILE A 83 7.973 19.676 25.277 1.00 12.12 C ATOM 1173 C ILE A 83 8.236 19.148 23.871 1.00 4.11 C ATOM 1174 O ILE A 83 8.490 17.959 23.681 1.00 11.01 O ATOM 1175 CB ILE A 83 9.309 19.766 26.038 1.00 13.24 C ATOM 1176 CG1 ILE A 83 9.061 20.120 27.506 1.00 25.13 C ATOM 1177 CG2 ILE A 83 10.221 20.794 25.387 1.00 44.24 C ATOM 1178 CD1 ILE A 83 8.410 21.471 27.701 1.00 50.12 C ATOM 0 H ILE A 83 7.365 17.912 26.232 1.00 62.02 H new ATOM 0 HA ILE A 83 7.534 20.671 25.212 1.00 12.12 H new ATOM 0 HB ILE A 83 9.801 18.794 25.996 1.00 13.24 H new ATOM 0 HG12 ILE A 83 8.429 19.353 27.954 1.00 25.13 H new ATOM 0 HG13 ILE A 83 10.011 20.103 28.041 1.00 25.13 H new ATOM 0 HG21 ILE A 83 11.161 20.846 25.936 1.00 44.24 H new ATOM 0 HG22 ILE A 83 10.419 20.503 24.355 1.00 44.24 H new ATOM 0 HG23 ILE A 83 9.737 21.771 25.402 1.00 44.24 H new ATOM 0 HD11 ILE A 83 8.265 21.655 28.766 1.00 50.12 H new ATOM 0 HD12 ILE A 83 9.051 22.247 27.283 1.00 50.12 H new ATOM 0 HD13 ILE A 83 7.445 21.486 27.195 1.00 50.12 H new ATOM 1190 N ALA A 84 8.176 20.041 22.889 1.00 43.13 N ATOM 1191 CA ALA A 84 8.412 19.666 21.500 1.00 3.21 C ATOM 1192 C ALA A 84 9.771 20.164 21.020 1.00 2.53 C ATOM 1193 O ALA A 84 10.107 21.338 21.183 1.00 43.11 O ATOM 1194 CB ALA A 84 7.304 20.211 20.611 1.00 62.32 C ATOM 0 H ALA A 84 7.966 21.029 23.029 1.00 43.13 H new ATOM 0 HA ALA A 84 8.411 18.578 21.438 1.00 3.21 H new ATOM 0 HB1 ALA A 84 7.493 19.924 19.577 1.00 62.32 H new ATOM 0 HB2 ALA A 84 6.346 19.802 20.932 1.00 62.32 H new ATOM 0 HB3 ALA A 84 7.278 21.298 20.687 1.00 62.32 H new ATOM 1200 N THR A 85 10.551 19.265 20.428 1.00 21.04 N ATOM 1201 CA THR A 85 11.874 19.613 19.927 1.00 64.24 C ATOM 1202 C THR A 85 12.020 19.242 18.455 1.00 34.22 C ATOM 1203 O THR A 85 11.883 18.076 18.082 1.00 13.44 O ATOM 1204 CB THR A 85 12.983 18.911 20.733 1.00 24.11 C ATOM 1205 OG1 THR A 85 12.402 18.042 21.712 1.00 62.24 O ATOM 1206 CG2 THR A 85 13.880 19.930 21.421 1.00 73.43 C ATOM 0 H THR A 85 10.289 18.290 20.284 1.00 21.04 H new ATOM 0 HA THR A 85 11.980 20.692 20.040 1.00 64.24 H new ATOM 0 HB THR A 85 13.589 18.325 20.041 1.00 24.11 H new ATOM 0 HG1 THR A 85 13.114 17.598 22.219 1.00 62.24 H new ATOM 0 HG21 THR A 85 14.655 19.411 21.984 1.00 73.43 H new ATOM 0 HG22 THR A 85 14.344 20.571 20.671 1.00 73.43 H new ATOM 0 HG23 THR A 85 13.284 20.539 22.101 1.00 73.43 H new ATOM 1214 N TYR A 86 12.298 20.239 17.623 1.00 0.23 N ATOM 1215 CA TYR A 86 12.460 20.017 16.191 1.00 1.43 C ATOM 1216 C TYR A 86 13.344 21.095 15.570 1.00 73.22 C ATOM 1217 O TYR A 86 12.912 22.229 15.370 1.00 54.21 O ATOM 1218 CB TYR A 86 11.096 19.999 15.499 1.00 22.22 C ATOM 1219 CG TYR A 86 11.099 19.270 14.175 1.00 62.53 C ATOM 1220 CD1 TYR A 86 11.726 18.037 14.039 1.00 33.11 C ATOM 1221 CD2 TYR A 86 10.474 19.813 13.059 1.00 45.11 C ATOM 1222 CE1 TYR A 86 11.731 17.368 12.831 1.00 65.33 C ATOM 1223 CE2 TYR A 86 10.474 19.150 11.847 1.00 50.23 C ATOM 1224 CZ TYR A 86 11.104 17.928 11.738 1.00 42.24 C ATOM 1225 OH TYR A 86 11.107 17.264 10.532 1.00 15.04 O ATOM 0 H TYR A 86 12.416 21.209 17.915 1.00 0.23 H new ATOM 0 HA TYR A 86 12.944 19.050 16.051 1.00 1.43 H new ATOM 0 HB2 TYR A 86 10.368 19.530 16.161 1.00 22.22 H new ATOM 0 HB3 TYR A 86 10.766 21.025 15.338 1.00 22.22 H new ATOM 0 HD1 TYR A 86 12.218 17.595 14.893 1.00 33.11 H new ATOM 0 HD2 TYR A 86 9.980 20.770 13.141 1.00 45.11 H new ATOM 0 HE1 TYR A 86 12.224 16.411 12.743 1.00 65.33 H new ATOM 0 HE2 TYR A 86 9.983 19.586 10.990 1.00 50.23 H new ATOM 0 HH TYR A 86 10.621 17.794 9.866 1.00 15.04 H new ATOM 1235 N GLY A 87 14.586 20.730 15.266 1.00 74.25 N ATOM 1236 CA GLY A 87 15.511 21.675 14.669 1.00 25.13 C ATOM 1237 C GLY A 87 15.915 22.776 15.630 1.00 54.13 C ATOM 1238 O GLY A 87 16.491 22.509 16.684 1.00 0.21 O ATOM 0 H GLY A 87 14.968 19.797 15.423 1.00 74.25 H new ATOM 0 HA2 GLY A 87 16.402 21.144 14.334 1.00 25.13 H new ATOM 0 HA3 GLY A 87 15.053 22.118 13.785 1.00 25.13 H new ATOM 1242 N SER A 88 15.613 24.018 15.264 1.00 34.13 N ATOM 1243 CA SER A 88 15.952 25.164 16.099 1.00 43.30 C ATOM 1244 C SER A 88 14.707 25.735 16.771 1.00 22.11 C ATOM 1245 O SER A 88 14.784 26.706 17.524 1.00 33.22 O ATOM 1246 CB SER A 88 16.635 26.247 15.261 1.00 1.24 C ATOM 1247 OG SER A 88 17.886 25.798 14.769 1.00 0.55 O ATOM 0 H SER A 88 15.134 24.256 14.395 1.00 34.13 H new ATOM 0 HA SER A 88 16.639 24.826 16.875 1.00 43.30 H new ATOM 0 HB2 SER A 88 15.991 26.526 14.427 1.00 1.24 H new ATOM 0 HB3 SER A 88 16.779 27.143 15.866 1.00 1.24 H new ATOM 0 HG SER A 88 18.301 26.507 14.235 1.00 0.55 H new ATOM 1253 N VAL A 89 13.560 25.124 16.493 1.00 53.21 N ATOM 1254 CA VAL A 89 12.297 25.569 17.071 1.00 41.35 C ATOM 1255 C VAL A 89 11.711 24.508 17.995 1.00 3.11 C ATOM 1256 O VAL A 89 11.821 23.311 17.731 1.00 75.14 O ATOM 1257 CB VAL A 89 11.267 25.906 15.976 1.00 1.20 C ATOM 1258 CG1 VAL A 89 9.935 26.296 16.598 1.00 11.21 C ATOM 1259 CG2 VAL A 89 11.790 27.016 15.076 1.00 31.23 C ATOM 0 H VAL A 89 13.479 24.320 15.871 1.00 53.21 H new ATOM 0 HA VAL A 89 12.512 26.469 17.647 1.00 41.35 H new ATOM 0 HB VAL A 89 11.109 25.018 15.364 1.00 1.20 H new ATOM 0 HG11 VAL A 89 9.220 26.531 15.809 1.00 11.21 H new ATOM 0 HG12 VAL A 89 9.556 25.467 17.196 1.00 11.21 H new ATOM 0 HG13 VAL A 89 10.073 27.170 17.235 1.00 11.21 H new ATOM 0 HG21 VAL A 89 11.050 27.241 14.308 1.00 31.23 H new ATOM 0 HG22 VAL A 89 11.978 27.909 15.672 1.00 31.23 H new ATOM 0 HG23 VAL A 89 12.717 26.694 14.602 1.00 31.23 H new ATOM 1269 N SER A 90 11.089 24.956 19.081 1.00 73.51 N ATOM 1270 CA SER A 90 10.488 24.044 20.048 1.00 53.15 C ATOM 1271 C SER A 90 9.090 24.513 20.440 1.00 0.23 C ATOM 1272 O SER A 90 8.769 25.697 20.340 1.00 60.52 O ATOM 1273 CB SER A 90 11.370 23.934 21.293 1.00 74.43 C ATOM 1274 OG SER A 90 12.184 25.083 21.445 1.00 52.43 O ATOM 0 H SER A 90 10.988 25.944 19.313 1.00 73.51 H new ATOM 0 HA SER A 90 10.405 23.062 19.583 1.00 53.15 H new ATOM 0 HB2 SER A 90 10.744 23.809 22.176 1.00 74.43 H new ATOM 0 HB3 SER A 90 11.999 23.046 21.220 1.00 74.43 H new ATOM 0 HG SER A 90 12.737 24.988 22.249 1.00 52.43 H new ATOM 1280 N GLY A 91 8.262 23.575 20.889 1.00 73.32 N ATOM 1281 CA GLY A 91 6.908 23.910 21.290 1.00 1.11 C ATOM 1282 C GLY A 91 6.628 23.558 22.738 1.00 44.03 C ATOM 1283 O GLY A 91 7.447 22.920 23.397 1.00 23.44 O ATOM 0 H GLY A 91 8.505 22.589 20.982 1.00 73.32 H new ATOM 0 HA2 GLY A 91 6.741 24.977 21.140 1.00 1.11 H new ATOM 0 HA3 GLY A 91 6.202 23.384 20.648 1.00 1.11 H new ATOM 1287 N ASN A 92 5.468 23.977 23.233 1.00 25.25 N ATOM 1288 CA ASN A 92 5.084 23.704 24.613 1.00 31.45 C ATOM 1289 C ASN A 92 3.587 23.427 24.716 1.00 21.44 C ATOM 1290 O ASN A 92 2.767 24.174 24.182 1.00 63.14 O ATOM 1291 CB ASN A 92 5.459 24.884 25.512 1.00 34.44 C ATOM 1292 CG ASN A 92 4.526 26.066 25.333 1.00 34.35 C ATOM 1293 OD1 ASN A 92 4.680 26.858 24.404 1.00 65.32 O ATOM 1294 ND2 ASN A 92 3.550 26.190 26.226 1.00 24.12 N ATOM 0 H ASN A 92 4.778 24.506 22.700 1.00 25.25 H new ATOM 0 HA ASN A 92 5.624 22.817 24.946 1.00 31.45 H new ATOM 0 HB2 ASN A 92 5.440 24.564 26.554 1.00 34.44 H new ATOM 0 HB3 ASN A 92 6.481 25.194 25.292 1.00 34.44 H new ATOM 0 HD21 ASN A 92 2.891 26.966 26.157 1.00 24.12 H new ATOM 0 HD22 ASN A 92 3.460 25.510 26.981 1.00 24.12 H new ATOM 1301 N THR A 93 3.237 22.347 25.409 1.00 73.14 N ATOM 1302 CA THR A 93 1.840 21.970 25.582 1.00 54.22 C ATOM 1303 C THR A 93 1.559 21.546 27.019 1.00 74.23 C ATOM 1304 O THR A 93 2.216 20.651 27.551 1.00 33.30 O ATOM 1305 CB THR A 93 1.445 20.823 24.633 1.00 24.51 C ATOM 1306 OG1 THR A 93 2.394 20.722 23.566 1.00 63.54 O ATOM 1307 CG2 THR A 93 0.053 21.047 24.062 1.00 65.33 C ATOM 0 H THR A 93 3.902 21.719 25.859 1.00 73.14 H new ATOM 0 HA THR A 93 1.243 22.850 25.343 1.00 54.22 H new ATOM 0 HB THR A 93 1.440 19.894 25.204 1.00 24.51 H new ATOM 0 HG1 THR A 93 2.137 19.989 22.968 1.00 63.54 H new ATOM 0 HG21 THR A 93 -0.203 20.224 23.395 1.00 65.33 H new ATOM 0 HG22 THR A 93 -0.671 21.094 24.876 1.00 65.33 H new ATOM 0 HG23 THR A 93 0.034 21.984 23.506 1.00 65.33 H new ATOM 1315 N ILE A 94 0.579 22.193 27.641 1.00 30.30 N ATOM 1316 CA ILE A 94 0.211 21.880 29.016 1.00 14.02 C ATOM 1317 C ILE A 94 -1.139 21.173 29.077 1.00 53.34 C ATOM 1318 O ILE A 94 -2.127 21.649 28.516 1.00 53.33 O ATOM 1319 CB ILE A 94 0.152 23.150 29.886 1.00 61.31 C ATOM 1320 CG1 ILE A 94 -0.633 24.250 29.169 1.00 61.14 C ATOM 1321 CG2 ILE A 94 1.557 23.627 30.222 1.00 61.03 C ATOM 1322 CD1 ILE A 94 -1.255 25.259 30.108 1.00 20.02 C ATOM 0 H ILE A 94 0.026 22.937 27.215 1.00 30.30 H new ATOM 0 HA ILE A 94 0.984 21.217 29.406 1.00 14.02 H new ATOM 0 HB ILE A 94 -0.362 22.911 30.817 1.00 61.31 H new ATOM 0 HG12 ILE A 94 0.033 24.770 28.480 1.00 61.14 H new ATOM 0 HG13 ILE A 94 -1.419 23.792 28.569 1.00 61.14 H new ATOM 0 HG21 ILE A 94 1.499 24.525 30.837 1.00 61.03 H new ATOM 0 HG22 ILE A 94 2.085 22.846 30.769 1.00 61.03 H new ATOM 0 HG23 ILE A 94 2.095 23.852 29.301 1.00 61.03 H new ATOM 0 HD11 ILE A 94 -1.795 26.009 29.530 1.00 20.02 H new ATOM 0 HD12 ILE A 94 -1.946 24.752 30.781 1.00 20.02 H new ATOM 0 HD13 ILE A 94 -0.472 25.745 30.691 1.00 20.02 H new ATOM 1334 N LEU A 95 -1.175 20.036 29.762 1.00 71.11 N ATOM 1335 CA LEU A 95 -2.405 19.263 29.898 1.00 0.21 C ATOM 1336 C LEU A 95 -2.700 18.964 31.364 1.00 34.23 C ATOM 1337 O LEU A 95 -1.787 18.750 32.162 1.00 31.14 O ATOM 1338 CB LEU A 95 -2.299 17.956 29.110 1.00 13.32 C ATOM 1339 CG LEU A 95 -2.115 18.097 27.599 1.00 71.22 C ATOM 1340 CD1 LEU A 95 -3.078 19.131 27.038 1.00 51.44 C ATOM 1341 CD2 LEU A 95 -0.677 18.470 27.269 1.00 31.21 C ATOM 0 H LEU A 95 -0.367 19.628 30.232 1.00 71.11 H new ATOM 0 HA LEU A 95 -3.225 19.857 29.495 1.00 0.21 H new ATOM 0 HB2 LEU A 95 -1.461 17.383 29.506 1.00 13.32 H new ATOM 0 HB3 LEU A 95 -3.200 17.370 29.293 1.00 13.32 H new ATOM 0 HG LEU A 95 -2.336 17.136 27.135 1.00 71.22 H new ATOM 0 HD11 LEU A 95 -2.932 19.218 25.961 1.00 51.44 H new ATOM 0 HD12 LEU A 95 -4.103 18.822 27.242 1.00 51.44 H new ATOM 0 HD13 LEU A 95 -2.890 20.096 27.508 1.00 51.44 H new ATOM 0 HD21 LEU A 95 -0.565 18.566 26.189 1.00 31.21 H new ATOM 0 HD22 LEU A 95 -0.429 19.418 27.745 1.00 31.21 H new ATOM 0 HD23 LEU A 95 -0.006 17.693 27.636 1.00 31.21 H new ATOM 1353 N THR A 96 -3.983 18.948 31.713 1.00 12.11 N ATOM 1354 CA THR A 96 -4.400 18.674 33.083 1.00 64.25 C ATOM 1355 C THR A 96 -5.029 17.290 33.199 1.00 4.23 C ATOM 1356 O THR A 96 -6.132 17.055 32.707 1.00 50.15 O ATOM 1357 CB THR A 96 -5.405 19.727 33.585 1.00 33.44 C ATOM 1358 OG1 THR A 96 -4.813 21.030 33.543 1.00 71.45 O ATOM 1359 CG2 THR A 96 -5.852 19.413 35.006 1.00 41.45 C ATOM 0 H THR A 96 -4.752 19.122 31.065 1.00 12.11 H new ATOM 0 HA THR A 96 -3.503 18.715 33.701 1.00 64.25 H new ATOM 0 HB THR A 96 -6.278 19.705 32.932 1.00 33.44 H new ATOM 0 HG1 THR A 96 -5.394 21.668 34.007 1.00 71.45 H new ATOM 0 HG21 THR A 96 -6.562 20.170 35.340 1.00 41.45 H new ATOM 0 HG22 THR A 96 -6.329 18.433 35.029 1.00 41.45 H new ATOM 0 HG23 THR A 96 -4.986 19.411 35.668 1.00 41.45 H new ATOM 1367 N VAL A 97 -4.320 16.376 33.855 1.00 12.53 N ATOM 1368 CA VAL A 97 -4.810 15.016 34.038 1.00 34.45 C ATOM 1369 C VAL A 97 -5.046 14.710 35.513 1.00 1.34 C ATOM 1370 O VAL A 97 -4.162 14.905 36.347 1.00 71.23 O ATOM 1371 CB VAL A 97 -3.825 13.982 33.462 1.00 23.35 C ATOM 1372 CG1 VAL A 97 -3.863 13.997 31.942 1.00 63.21 C ATOM 1373 CG2 VAL A 97 -2.416 14.248 33.971 1.00 31.15 C ATOM 0 H VAL A 97 -3.405 16.554 34.268 1.00 12.53 H new ATOM 0 HA VAL A 97 -5.755 14.946 33.500 1.00 34.45 H new ATOM 0 HB VAL A 97 -4.128 12.991 33.799 1.00 23.35 H new ATOM 0 HG11 VAL A 97 -3.160 13.260 31.553 1.00 63.21 H new ATOM 0 HG12 VAL A 97 -4.869 13.754 31.601 1.00 63.21 H new ATOM 0 HG13 VAL A 97 -3.586 14.988 31.581 1.00 63.21 H new ATOM 0 HG21 VAL A 97 -1.733 13.508 33.554 1.00 31.15 H new ATOM 0 HG22 VAL A 97 -2.101 15.246 33.665 1.00 31.15 H new ATOM 0 HG23 VAL A 97 -2.403 14.181 35.059 1.00 31.15 H new ATOM 1383 N ASN A 98 -6.245 14.230 35.829 1.00 45.04 N ATOM 1384 CA ASN A 98 -6.597 13.897 37.204 1.00 11.30 C ATOM 1385 C ASN A 98 -6.924 12.413 37.338 1.00 55.22 C ATOM 1386 O ASN A 98 -7.826 12.029 38.084 1.00 43.32 O ATOM 1387 CB ASN A 98 -7.790 14.738 37.664 1.00 22.34 C ATOM 1388 CG ASN A 98 -7.503 16.226 37.612 1.00 71.11 C ATOM 1389 OD1 ASN A 98 -7.199 16.847 38.630 1.00 12.13 O ATOM 1390 ND2 ASN A 98 -7.599 16.805 36.421 1.00 52.13 N ATOM 0 H ASN A 98 -6.989 14.063 35.151 1.00 45.04 H new ATOM 0 HA ASN A 98 -5.738 14.119 37.837 1.00 11.30 H new ATOM 0 HB2 ASN A 98 -8.652 14.515 37.035 1.00 22.34 H new ATOM 0 HB3 ASN A 98 -8.057 14.458 38.683 1.00 22.34 H new ATOM 0 HD21 ASN A 98 -7.418 17.804 36.323 1.00 52.13 H new ATOM 0 HD22 ASN A 98 -7.854 16.251 35.604 1.00 52.13 H new ATOM 1397 N LYS A 99 -6.186 11.582 36.610 1.00 1.13 N ATOM 1398 CA LYS A 99 -6.395 10.140 36.648 1.00 61.52 C ATOM 1399 C LYS A 99 -6.057 9.576 38.025 1.00 40.54 C ATOM 1400 O LYS A 99 -4.891 9.335 38.340 1.00 52.14 O ATOM 1401 CB LYS A 99 -5.541 9.452 35.580 1.00 22.13 C ATOM 1402 CG LYS A 99 -5.734 7.946 35.524 1.00 44.31 C ATOM 1403 CD LYS A 99 -4.701 7.220 36.369 1.00 63.21 C ATOM 1404 CE LYS A 99 -5.346 6.507 37.547 1.00 33.03 C ATOM 1405 NZ LYS A 99 -4.407 6.369 38.694 1.00 24.43 N ATOM 0 H LYS A 99 -5.437 11.883 35.986 1.00 1.13 H new ATOM 0 HA LYS A 99 -7.448 9.946 36.444 1.00 61.52 H new ATOM 0 HB2 LYS A 99 -5.781 9.877 34.605 1.00 22.13 H new ATOM 0 HB3 LYS A 99 -4.490 9.668 35.772 1.00 22.13 H new ATOM 0 HG2 LYS A 99 -6.735 7.693 35.874 1.00 44.31 H new ATOM 0 HG3 LYS A 99 -5.663 7.607 34.490 1.00 44.31 H new ATOM 0 HD2 LYS A 99 -4.168 6.497 35.752 1.00 63.21 H new ATOM 0 HD3 LYS A 99 -3.962 7.933 36.734 1.00 63.21 H new ATOM 0 HE2 LYS A 99 -6.230 7.059 37.866 1.00 33.03 H new ATOM 0 HE3 LYS A 99 -5.683 5.519 37.233 1.00 33.03 H new ATOM 0 HZ1 LYS A 99 -4.944 6.150 39.558 1.00 24.43 H new ATOM 0 HZ2 LYS A 99 -3.733 5.601 38.501 1.00 24.43 H new ATOM 0 HZ3 LYS A 99 -3.887 7.260 38.826 1.00 24.43 H new ATOM 1419 N THR A 100 -7.084 9.368 38.842 1.00 34.51 N ATOM 1420 CA THR A 100 -6.896 8.833 40.185 1.00 74.54 C ATOM 1421 C THR A 100 -7.139 7.328 40.216 1.00 63.22 C ATOM 1422 O THR A 100 -6.422 6.588 40.889 1.00 24.24 O ATOM 1423 CB THR A 100 -7.836 9.513 41.197 1.00 12.55 C ATOM 1424 OG1 THR A 100 -9.171 9.548 40.681 1.00 51.14 O ATOM 1425 CG2 THR A 100 -7.368 10.928 41.503 1.00 15.41 C ATOM 0 H THR A 100 -8.055 9.562 38.597 1.00 34.51 H new ATOM 0 HA THR A 100 -5.863 9.038 40.465 1.00 74.54 H new ATOM 0 HB THR A 100 -7.820 8.933 42.120 1.00 12.55 H new ATOM 0 HG1 THR A 100 -9.762 9.981 41.332 1.00 51.14 H new ATOM 0 HG21 THR A 100 -8.047 11.389 42.220 1.00 15.41 H new ATOM 0 HG22 THR A 100 -6.363 10.896 41.924 1.00 15.41 H new ATOM 0 HG23 THR A 100 -7.358 11.515 40.584 1.00 15.41 H new