USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 550 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 34:sc= -0.348 USER MOD Set 1.2: A 83 SER OG : rot -69:sc= -0.636 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -102:sc= 1.03 USER MOD Single : A 39 LYS NZ :NH3+ 155:sc= 0.673 (180deg=0.364) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0106 USER MOD Single : A 48 HIS : no HD1:sc= -0.42 X(o=-0.42,f=-0.025) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.411 K(o=-0.41,f=-1.1!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -37:sc= -0.024 USER MOD Single : A 76 HIS : no HE2:sc= -1.15 K(o=-1.1,f=-3.3!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 154:sc= -4! USER MOD Single : A 93 LYS NZ :NH3+ -127:sc= -0.444 (180deg=-1.67!) USER MOD Single : A 95 HIS : no HD1:sc= -0.841 K(o=-0.84,f=-1.5) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 49:sc= 0.907 USER MOD Single : A 107 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.142) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 MET CE :methyl -144:sc= 0 (180deg=-0.00936) USER MOD Single : A 116 THR OG1 : rot -136:sc= -1.49 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.031 USER MOD ----------------------------------------------------------------- ATOM 153 N ALA A 35 0.666 6.486 8.008 1.00 74.24 N ATOM 154 CA ALA A 35 0.192 5.966 6.731 1.00 33.55 C ATOM 155 C ALA A 35 -0.988 5.019 6.929 1.00 60.20 C ATOM 156 O ALA A 35 -1.801 4.829 6.024 1.00 33.21 O ATOM 157 CB ALA A 35 1.321 5.258 5.998 1.00 3.32 C ATOM 0 HA ALA A 35 -0.147 6.807 6.127 1.00 33.55 H new ATOM 0 HB1 ALA A 35 0.953 4.875 5.046 1.00 3.32 H new ATOM 0 HB2 ALA A 35 2.134 5.961 5.816 1.00 3.32 H new ATOM 0 HB3 ALA A 35 1.686 4.430 6.606 1.00 3.32 H new ATOM 163 N ILE A 36 -1.074 4.426 8.115 1.00 3.51 N ATOM 164 CA ILE A 36 -2.154 3.500 8.430 1.00 41.21 C ATOM 165 C ILE A 36 -3.513 4.105 8.091 1.00 64.10 C ATOM 166 O ILE A 36 -4.444 3.393 7.716 1.00 52.34 O ATOM 167 CB ILE A 36 -2.138 3.101 9.917 1.00 21.24 C ATOM 168 CG1 ILE A 36 -3.023 1.875 10.148 1.00 62.33 C ATOM 169 CG2 ILE A 36 -2.599 4.265 10.783 1.00 60.43 C ATOM 170 CD1 ILE A 36 -2.263 0.667 10.649 1.00 35.51 C ATOM 0 H ILE A 36 -0.408 4.571 8.874 1.00 3.51 H new ATOM 0 HA ILE A 36 -1.994 2.609 7.822 1.00 41.21 H new ATOM 0 HB ILE A 36 -1.116 2.846 10.199 1.00 21.24 H new ATOM 0 HG12 ILE A 36 -3.801 2.129 10.868 1.00 62.33 H new ATOM 0 HG13 ILE A 36 -3.524 1.618 9.215 1.00 62.33 H new ATOM 0 HG21 ILE A 36 -2.582 3.967 11.831 1.00 60.43 H new ATOM 0 HG22 ILE A 36 -1.932 5.114 10.636 1.00 60.43 H new ATOM 0 HG23 ILE A 36 -3.614 4.548 10.502 1.00 60.43 H new ATOM 0 HD11 ILE A 36 -2.954 -0.164 10.791 1.00 35.51 H new ATOM 0 HD12 ILE A 36 -1.503 0.387 9.920 1.00 35.51 H new ATOM 0 HD13 ILE A 36 -1.784 0.906 11.598 1.00 35.51 H new ATOM 182 N LYS A 37 -3.617 5.422 8.226 1.00 12.03 N ATOM 183 CA LYS A 37 -4.861 6.125 7.932 1.00 32.35 C ATOM 184 C LYS A 37 -5.254 5.946 6.469 1.00 34.12 C ATOM 185 O LYS A 37 -6.427 5.743 6.153 1.00 43.53 O ATOM 186 CB LYS A 37 -4.717 7.614 8.255 1.00 12.40 C ATOM 187 CG LYS A 37 -5.201 7.985 9.646 1.00 75.23 C ATOM 188 CD LYS A 37 -5.923 9.323 9.648 1.00 64.53 C ATOM 189 CE LYS A 37 -6.268 9.767 11.060 1.00 74.22 C ATOM 190 NZ LYS A 37 -6.625 11.212 11.115 1.00 41.04 N ATOM 0 H LYS A 37 -2.855 6.025 8.537 1.00 12.03 H new ATOM 0 HA LYS A 37 -5.647 5.699 8.555 1.00 32.35 H new ATOM 0 HB2 LYS A 37 -3.670 7.899 8.156 1.00 12.40 H new ATOM 0 HB3 LYS A 37 -5.275 8.192 7.519 1.00 12.40 H new ATOM 0 HG2 LYS A 37 -5.870 7.209 10.018 1.00 75.23 H new ATOM 0 HG3 LYS A 37 -4.352 8.028 10.328 1.00 75.23 H new ATOM 0 HD2 LYS A 37 -5.296 10.077 9.171 1.00 64.53 H new ATOM 0 HD3 LYS A 37 -6.835 9.246 9.056 1.00 64.53 H new ATOM 0 HE2 LYS A 37 -7.101 9.172 11.434 1.00 74.22 H new ATOM 0 HE3 LYS A 37 -5.420 9.577 11.718 1.00 74.22 H new ATOM 0 HZ1 LYS A 37 -6.854 11.476 12.095 1.00 41.04 H new ATOM 0 HZ2 LYS A 37 -5.821 11.781 10.782 1.00 41.04 H new ATOM 0 HZ3 LYS A 37 -7.450 11.389 10.507 1.00 41.04 H new ATOM 204 N SER A 38 -4.267 6.021 5.583 1.00 54.21 N ATOM 205 CA SER A 38 -4.511 5.870 4.153 1.00 44.41 C ATOM 206 C SER A 38 -4.999 4.460 3.831 1.00 45.33 C ATOM 207 O SER A 38 -5.945 4.278 3.065 1.00 21.05 O ATOM 208 CB SER A 38 -3.238 6.173 3.362 1.00 45.54 C ATOM 209 OG SER A 38 -3.016 7.571 3.269 1.00 61.31 O ATOM 0 H SER A 38 -3.291 6.185 5.829 1.00 54.21 H new ATOM 0 HA SER A 38 -5.287 6.580 3.865 1.00 44.41 H new ATOM 0 HB2 SER A 38 -2.384 5.697 3.845 1.00 45.54 H new ATOM 0 HB3 SER A 38 -3.317 5.747 2.362 1.00 45.54 H new ATOM 0 HG SER A 38 -3.289 7.887 2.382 1.00 61.31 H new ATOM 215 N LYS A 39 -4.346 3.465 4.422 1.00 11.53 N ATOM 216 CA LYS A 39 -4.712 2.071 4.201 1.00 5.34 C ATOM 217 C LYS A 39 -6.120 1.791 4.717 1.00 64.41 C ATOM 218 O LYS A 39 -6.843 0.966 4.159 1.00 63.44 O ATOM 219 CB LYS A 39 -3.709 1.145 4.892 1.00 72.51 C ATOM 220 CG LYS A 39 -4.236 0.528 6.176 1.00 30.33 C ATOM 221 CD LYS A 39 -3.143 -0.214 6.928 1.00 15.41 C ATOM 222 CE LYS A 39 -3.725 -1.245 7.883 1.00 12.01 C ATOM 223 NZ LYS A 39 -2.691 -2.205 8.359 1.00 71.41 N ATOM 0 H LYS A 39 -3.560 3.598 5.058 1.00 11.53 H new ATOM 0 HA LYS A 39 -4.693 1.880 3.128 1.00 5.34 H new ATOM 0 HB2 LYS A 39 -3.429 0.348 4.204 1.00 72.51 H new ATOM 0 HB3 LYS A 39 -2.802 1.707 5.114 1.00 72.51 H new ATOM 0 HG2 LYS A 39 -4.651 1.309 6.813 1.00 30.33 H new ATOM 0 HG3 LYS A 39 -5.050 -0.159 5.943 1.00 30.33 H new ATOM 0 HD2 LYS A 39 -2.481 -0.708 6.216 1.00 15.41 H new ATOM 0 HD3 LYS A 39 -2.536 0.499 7.486 1.00 15.41 H new ATOM 0 HE2 LYS A 39 -4.170 -0.737 8.738 1.00 12.01 H new ATOM 0 HE3 LYS A 39 -4.526 -1.791 7.384 1.00 12.01 H new ATOM 0 HZ1 LYS A 39 -2.979 -2.599 9.277 1.00 71.41 H new ATOM 0 HZ2 LYS A 39 -2.589 -2.976 7.668 1.00 71.41 H new ATOM 0 HZ3 LYS A 39 -1.782 -1.712 8.464 1.00 71.41 H new ATOM 237 N VAL A 40 -6.503 2.483 5.785 1.00 61.42 N ATOM 238 CA VAL A 40 -7.825 2.309 6.374 1.00 35.30 C ATOM 239 C VAL A 40 -8.922 2.691 5.386 1.00 22.13 C ATOM 240 O VAL A 40 -9.937 2.005 5.276 1.00 1.03 O ATOM 241 CB VAL A 40 -7.985 3.152 7.653 1.00 11.42 C ATOM 242 CG1 VAL A 40 -9.438 3.169 8.104 1.00 4.51 C ATOM 243 CG2 VAL A 40 -7.081 2.624 8.757 1.00 74.32 C ATOM 0 H VAL A 40 -5.917 3.169 6.260 1.00 61.42 H new ATOM 0 HA VAL A 40 -7.921 1.254 6.629 1.00 35.30 H new ATOM 0 HB VAL A 40 -7.687 4.177 7.431 1.00 11.42 H new ATOM 0 HG11 VAL A 40 -9.531 3.769 9.009 1.00 4.51 H new ATOM 0 HG12 VAL A 40 -10.058 3.599 7.318 1.00 4.51 H new ATOM 0 HG13 VAL A 40 -9.767 2.150 8.309 1.00 4.51 H new ATOM 0 HG21 VAL A 40 -7.208 3.232 9.653 1.00 74.32 H new ATOM 0 HG22 VAL A 40 -7.345 1.590 8.980 1.00 74.32 H new ATOM 0 HG23 VAL A 40 -6.042 2.671 8.430 1.00 74.32 H new ATOM 253 N GLU A 41 -8.708 3.790 4.670 1.00 73.24 N ATOM 254 CA GLU A 41 -9.680 4.263 3.690 1.00 24.24 C ATOM 255 C GLU A 41 -9.978 3.183 2.654 1.00 43.22 C ATOM 256 O GLU A 41 -11.058 3.155 2.064 1.00 22.24 O ATOM 257 CB GLU A 41 -9.162 5.523 2.994 1.00 13.51 C ATOM 258 CG GLU A 41 -8.390 5.240 1.717 1.00 3.55 C ATOM 259 CD GLU A 41 -9.291 5.134 0.502 1.00 23.44 C ATOM 260 OE1 GLU A 41 -10.151 6.020 0.319 1.00 4.32 O ATOM 261 OE2 GLU A 41 -9.135 4.161 -0.267 1.00 53.20 O ATOM 0 H GLU A 41 -7.872 4.369 4.749 1.00 73.24 H new ATOM 0 HA GLU A 41 -10.604 4.501 4.217 1.00 24.24 H new ATOM 0 HB2 GLU A 41 -10.006 6.172 2.762 1.00 13.51 H new ATOM 0 HB3 GLU A 41 -8.519 6.070 3.683 1.00 13.51 H new ATOM 0 HG2 GLU A 41 -7.660 6.033 1.555 1.00 3.55 H new ATOM 0 HG3 GLU A 41 -7.832 4.311 1.833 1.00 3.55 H new ATOM 268 N ALA A 42 -9.011 2.297 2.438 1.00 74.23 N ATOM 269 CA ALA A 42 -9.170 1.214 1.475 1.00 74.33 C ATOM 270 C ALA A 42 -9.750 -0.031 2.139 1.00 70.24 C ATOM 271 O ALA A 42 -10.293 -0.908 1.467 1.00 32.22 O ATOM 272 CB ALA A 42 -7.836 0.891 0.819 1.00 52.53 C ATOM 0 H ALA A 42 -8.110 2.308 2.916 1.00 74.23 H new ATOM 0 HA ALA A 42 -9.870 1.544 0.707 1.00 74.33 H new ATOM 0 HB1 ALA A 42 -7.970 0.081 0.102 1.00 52.53 H new ATOM 0 HB2 ALA A 42 -7.461 1.774 0.302 1.00 52.53 H new ATOM 0 HB3 ALA A 42 -7.120 0.586 1.582 1.00 52.53 H new ATOM 278 N ALA A 43 -9.630 -0.101 3.460 1.00 71.24 N ATOM 279 CA ALA A 43 -10.144 -1.238 4.214 1.00 31.42 C ATOM 280 C ALA A 43 -11.647 -1.398 4.010 1.00 23.14 C ATOM 281 O ALA A 43 -12.182 -2.503 4.108 1.00 30.32 O ATOM 282 CB ALA A 43 -9.824 -1.078 5.692 1.00 31.23 C ATOM 0 H ALA A 43 -9.182 0.616 4.031 1.00 71.24 H new ATOM 0 HA ALA A 43 -9.656 -2.139 3.843 1.00 31.42 H new ATOM 0 HB1 ALA A 43 -10.213 -1.934 6.243 1.00 31.23 H new ATOM 0 HB2 ALA A 43 -8.744 -1.021 5.826 1.00 31.23 H new ATOM 0 HB3 ALA A 43 -10.285 -0.164 6.067 1.00 31.23 H new ATOM 288 N LEU A 44 -12.322 -0.290 3.727 1.00 1.23 N ATOM 289 CA LEU A 44 -13.764 -0.307 3.510 1.00 70.52 C ATOM 290 C LEU A 44 -14.147 -1.365 2.479 1.00 62.50 C ATOM 291 O LEU A 44 -15.239 -1.931 2.532 1.00 23.05 O ATOM 292 CB LEU A 44 -14.247 1.069 3.048 1.00 14.05 C ATOM 293 CG LEU A 44 -14.439 2.115 4.147 1.00 41.42 C ATOM 294 CD1 LEU A 44 -15.441 1.626 5.181 1.00 2.11 C ATOM 295 CD2 LEU A 44 -13.108 2.448 4.805 1.00 43.03 C ATOM 0 H LEU A 44 -11.894 0.632 3.642 1.00 1.23 H new ATOM 0 HA LEU A 44 -14.246 -0.556 4.456 1.00 70.52 H new ATOM 0 HB2 LEU A 44 -13.532 1.459 2.324 1.00 14.05 H new ATOM 0 HB3 LEU A 44 -15.195 0.943 2.524 1.00 14.05 H new ATOM 0 HG LEU A 44 -14.833 3.024 3.692 1.00 41.42 H new ATOM 0 HD11 LEU A 44 -15.564 2.384 5.955 1.00 2.11 H new ATOM 0 HD12 LEU A 44 -16.401 1.441 4.698 1.00 2.11 H new ATOM 0 HD13 LEU A 44 -15.077 0.703 5.632 1.00 2.11 H new ATOM 0 HD21 LEU A 44 -13.264 3.194 5.584 1.00 43.03 H new ATOM 0 HD22 LEU A 44 -12.684 1.546 5.246 1.00 43.03 H new ATOM 0 HD23 LEU A 44 -12.421 2.843 4.057 1.00 43.03 H new ATOM 307 N SER A 45 -13.241 -1.628 1.543 1.00 25.43 N ATOM 308 CA SER A 45 -13.483 -2.617 0.499 1.00 2.15 C ATOM 309 C SER A 45 -12.956 -3.986 0.915 1.00 24.41 C ATOM 310 O SER A 45 -12.170 -4.119 1.854 1.00 13.24 O ATOM 311 CB SER A 45 -12.824 -2.180 -0.809 1.00 52.22 C ATOM 312 OG SER A 45 -12.418 -0.823 -0.749 1.00 20.14 O ATOM 0 H SER A 45 -12.332 -1.169 1.486 1.00 25.43 H new ATOM 0 HA SER A 45 -14.560 -2.693 0.347 1.00 2.15 H new ATOM 0 HB2 SER A 45 -11.960 -2.812 -1.013 1.00 52.22 H new ATOM 0 HB3 SER A 45 -13.522 -2.318 -1.635 1.00 52.22 H new ATOM 0 HG SER A 45 -11.998 -0.569 -1.597 1.00 20.14 H new ATOM 318 N PRO A 46 -13.398 -5.032 0.200 1.00 5.13 N ATOM 319 CA PRO A 46 -12.983 -6.411 0.475 1.00 52.22 C ATOM 320 C PRO A 46 -11.521 -6.659 0.118 1.00 31.31 C ATOM 321 O PRO A 46 -11.214 -7.465 -0.761 1.00 42.21 O ATOM 322 CB PRO A 46 -13.901 -7.242 -0.423 1.00 60.24 C ATOM 323 CG PRO A 46 -14.278 -6.324 -1.535 1.00 21.23 C ATOM 324 CD PRO A 46 -14.335 -4.948 -0.932 1.00 1.30 C ATOM 0 HA PRO A 46 -13.062 -6.657 1.534 1.00 52.22 H new ATOM 0 HB2 PRO A 46 -13.390 -8.129 -0.798 1.00 60.24 H new ATOM 0 HB3 PRO A 46 -14.780 -7.587 0.121 1.00 60.24 H new ATOM 0 HG2 PRO A 46 -13.546 -6.367 -2.342 1.00 21.23 H new ATOM 0 HG3 PRO A 46 -15.241 -6.603 -1.963 1.00 21.23 H new ATOM 0 HD2 PRO A 46 -14.033 -4.183 -1.647 1.00 1.30 H new ATOM 0 HD3 PRO A 46 -15.343 -4.696 -0.602 1.00 1.30 H new ATOM 332 N THR A 47 -10.622 -5.962 0.806 1.00 42.34 N ATOM 333 CA THR A 47 -9.192 -6.105 0.561 1.00 35.51 C ATOM 334 C THR A 47 -8.411 -6.135 1.869 1.00 12.43 C ATOM 335 O THR A 47 -8.982 -5.977 2.949 1.00 30.11 O ATOM 336 CB THR A 47 -8.656 -4.962 -0.320 1.00 62.42 C ATOM 337 OG1 THR A 47 -7.280 -5.195 -0.640 1.00 63.24 O ATOM 338 CG2 THR A 47 -8.798 -3.622 0.386 1.00 72.22 C ATOM 0 H THR A 47 -10.859 -5.292 1.538 1.00 42.34 H new ATOM 0 HA THR A 47 -9.054 -7.051 0.038 1.00 35.51 H new ATOM 0 HB THR A 47 -9.243 -4.934 -1.238 1.00 62.42 H new ATOM 0 HG1 THR A 47 -7.122 -6.159 -0.723 1.00 63.24 H new ATOM 0 HG21 THR A 47 -8.413 -2.830 -0.256 1.00 72.22 H new ATOM 0 HG22 THR A 47 -9.850 -3.434 0.602 1.00 72.22 H new ATOM 0 HG23 THR A 47 -8.234 -3.640 1.318 1.00 72.22 H new ATOM 346 N HIS A 48 -7.101 -6.335 1.766 1.00 61.04 N ATOM 347 CA HIS A 48 -6.240 -6.382 2.942 1.00 4.04 C ATOM 348 C HIS A 48 -5.008 -5.503 2.750 1.00 61.13 C ATOM 349 O HIS A 48 -4.273 -5.651 1.774 1.00 62.21 O ATOM 350 CB HIS A 48 -5.814 -7.822 3.230 1.00 2.52 C ATOM 351 CG HIS A 48 -4.774 -7.936 4.303 1.00 14.40 C ATOM 352 ND1 HIS A 48 -3.802 -8.912 4.309 1.00 61.33 N ATOM 353 CD2 HIS A 48 -4.559 -7.186 5.410 1.00 5.30 C ATOM 354 CE1 HIS A 48 -3.033 -8.761 5.373 1.00 53.54 C ATOM 355 NE2 HIS A 48 -3.472 -7.719 6.057 1.00 63.10 N ATOM 0 H HIS A 48 -6.613 -6.467 0.880 1.00 61.04 H new ATOM 0 HA HIS A 48 -6.806 -6.001 3.792 1.00 4.04 H new ATOM 0 HB2 HIS A 48 -6.691 -8.400 3.522 1.00 2.52 H new ATOM 0 HB3 HIS A 48 -5.429 -8.269 2.313 1.00 2.52 H new ATOM 0 HD2 HIS A 48 -5.135 -6.329 5.725 1.00 5.30 H new ATOM 0 HE1 HIS A 48 -2.190 -9.382 5.638 1.00 53.54 H new ATOM 0 HE2 HIS A 48 -3.068 -7.368 6.925 1.00 63.10 H new ATOM 363 N PHE A 49 -4.789 -4.586 3.687 1.00 34.44 N ATOM 364 CA PHE A 49 -3.647 -3.682 3.619 1.00 12.22 C ATOM 365 C PHE A 49 -2.707 -3.905 4.799 1.00 1.34 C ATOM 366 O PHE A 49 -3.096 -3.751 5.958 1.00 41.43 O ATOM 367 CB PHE A 49 -4.123 -2.227 3.599 1.00 24.32 C ATOM 368 CG PHE A 49 -4.532 -1.749 2.236 1.00 13.22 C ATOM 369 CD1 PHE A 49 -5.470 -2.450 1.494 1.00 5.40 C ATOM 370 CD2 PHE A 49 -3.981 -0.599 1.695 1.00 3.55 C ATOM 371 CE1 PHE A 49 -5.848 -2.013 0.239 1.00 43.44 C ATOM 372 CE2 PHE A 49 -4.355 -0.156 0.441 1.00 14.42 C ATOM 373 CZ PHE A 49 -5.291 -0.863 -0.288 1.00 35.12 C ATOM 0 H PHE A 49 -5.387 -4.450 4.502 1.00 34.44 H new ATOM 0 HA PHE A 49 -3.102 -3.892 2.699 1.00 12.22 H new ATOM 0 HB2 PHE A 49 -4.966 -2.120 4.281 1.00 24.32 H new ATOM 0 HB3 PHE A 49 -3.325 -1.587 3.975 1.00 24.32 H new ATOM 0 HD1 PHE A 49 -5.910 -3.348 1.902 1.00 5.40 H new ATOM 0 HD2 PHE A 49 -3.249 -0.041 2.261 1.00 3.55 H new ATOM 0 HE1 PHE A 49 -6.578 -2.570 -0.330 1.00 43.44 H new ATOM 0 HE2 PHE A 49 -3.916 0.742 0.031 1.00 14.42 H new ATOM 0 HZ PHE A 49 -5.587 -0.518 -1.268 1.00 35.12 H new ATOM 383 N LYS A 50 -1.465 -4.269 4.498 1.00 61.42 N ATOM 384 CA LYS A 50 -0.466 -4.514 5.531 1.00 53.10 C ATOM 385 C LYS A 50 0.565 -3.391 5.568 1.00 13.32 C ATOM 386 O LYS A 50 1.280 -3.159 4.593 1.00 45.00 O ATOM 387 CB LYS A 50 0.233 -5.854 5.287 1.00 13.32 C ATOM 388 CG LYS A 50 1.343 -6.150 6.281 1.00 71.55 C ATOM 389 CD LYS A 50 2.677 -6.349 5.583 1.00 41.33 C ATOM 390 CE LYS A 50 3.677 -7.058 6.482 1.00 25.04 C ATOM 391 NZ LYS A 50 4.294 -8.235 5.808 1.00 15.25 N ATOM 0 H LYS A 50 -1.126 -4.401 3.545 1.00 61.42 H new ATOM 0 HA LYS A 50 -0.976 -4.547 6.494 1.00 53.10 H new ATOM 0 HB2 LYS A 50 -0.506 -6.654 5.332 1.00 13.32 H new ATOM 0 HB3 LYS A 50 0.648 -5.860 4.279 1.00 13.32 H new ATOM 0 HG2 LYS A 50 1.423 -5.329 6.994 1.00 71.55 H new ATOM 0 HG3 LYS A 50 1.093 -7.044 6.852 1.00 71.55 H new ATOM 0 HD2 LYS A 50 2.529 -6.930 4.673 1.00 41.33 H new ATOM 0 HD3 LYS A 50 3.079 -5.382 5.282 1.00 41.33 H new ATOM 0 HE2 LYS A 50 4.459 -6.358 6.778 1.00 25.04 H new ATOM 0 HE3 LYS A 50 3.178 -7.383 7.395 1.00 25.04 H new ATOM 0 HZ1 LYS A 50 4.970 -8.690 6.454 1.00 15.25 H new ATOM 0 HZ2 LYS A 50 3.551 -8.915 5.548 1.00 15.25 H new ATOM 0 HZ3 LYS A 50 4.792 -7.922 4.951 1.00 15.25 H new ATOM 405 N LEU A 51 0.636 -2.697 6.699 1.00 44.34 N ATOM 406 CA LEU A 51 1.582 -1.598 6.863 1.00 52.22 C ATOM 407 C LEU A 51 2.470 -1.821 8.083 1.00 55.33 C ATOM 408 O LEU A 51 1.979 -1.932 9.207 1.00 11.41 O ATOM 409 CB LEU A 51 0.833 -0.270 6.998 1.00 64.55 C ATOM 410 CG LEU A 51 1.683 0.995 6.874 1.00 52.22 C ATOM 411 CD1 LEU A 51 0.879 2.117 6.234 1.00 1.02 C ATOM 412 CD2 LEU A 51 2.205 1.422 8.238 1.00 51.03 C ATOM 0 H LEU A 51 0.051 -2.875 7.515 1.00 44.34 H new ATOM 0 HA LEU A 51 2.216 -1.562 5.977 1.00 52.22 H new ATOM 0 HB2 LEU A 51 0.054 -0.236 6.237 1.00 64.55 H new ATOM 0 HB3 LEU A 51 0.333 -0.254 7.967 1.00 64.55 H new ATOM 0 HG LEU A 51 2.537 0.775 6.233 1.00 52.22 H new ATOM 0 HD11 LEU A 51 1.500 3.009 6.154 1.00 1.02 H new ATOM 0 HD12 LEU A 51 0.554 1.810 5.240 1.00 1.02 H new ATOM 0 HD13 LEU A 51 0.006 2.336 6.849 1.00 1.02 H new ATOM 0 HD21 LEU A 51 2.808 2.324 8.131 1.00 51.03 H new ATOM 0 HD22 LEU A 51 1.365 1.624 8.902 1.00 51.03 H new ATOM 0 HD23 LEU A 51 2.817 0.624 8.659 1.00 51.03 H new ATOM 424 N ILE A 52 3.777 -1.884 7.854 1.00 54.41 N ATOM 425 CA ILE A 52 4.733 -2.090 8.935 1.00 53.10 C ATOM 426 C ILE A 52 5.809 -1.010 8.931 1.00 53.34 C ATOM 427 O ILE A 52 6.593 -0.905 7.990 1.00 62.23 O ATOM 428 CB ILE A 52 5.407 -3.471 8.835 1.00 14.50 C ATOM 429 CG1 ILE A 52 6.011 -3.667 7.444 1.00 61.11 C ATOM 430 CG2 ILE A 52 4.404 -4.573 9.144 1.00 52.22 C ATOM 431 CD1 ILE A 52 7.500 -3.937 7.464 1.00 75.41 C ATOM 0 H ILE A 52 4.198 -1.795 6.929 1.00 54.41 H new ATOM 0 HA ILE A 52 4.171 -2.036 9.867 1.00 53.10 H new ATOM 0 HB ILE A 52 6.211 -3.522 9.570 1.00 14.50 H new ATOM 0 HG12 ILE A 52 5.506 -4.498 6.951 1.00 61.11 H new ATOM 0 HG13 ILE A 52 5.819 -2.777 6.845 1.00 61.11 H new ATOM 0 HG21 ILE A 52 4.895 -5.543 9.069 1.00 52.22 H new ATOM 0 HG22 ILE A 52 4.016 -4.439 10.154 1.00 52.22 H new ATOM 0 HG23 ILE A 52 3.581 -4.527 8.430 1.00 52.22 H new ATOM 0 HD11 ILE A 52 7.860 -4.066 6.443 1.00 75.41 H new ATOM 0 HD12 ILE A 52 8.016 -3.096 7.928 1.00 75.41 H new ATOM 0 HD13 ILE A 52 7.698 -4.844 8.036 1.00 75.41 H new ATOM 443 N ASN A 53 5.840 -0.209 9.991 1.00 14.12 N ATOM 444 CA ASN A 53 6.821 0.863 10.111 1.00 40.11 C ATOM 445 C ASN A 53 7.844 0.547 11.198 1.00 33.45 C ATOM 446 O ASN A 53 7.485 0.325 12.355 1.00 2.34 O ATOM 447 CB ASN A 53 6.124 2.189 10.421 1.00 12.11 C ATOM 448 CG ASN A 53 7.010 3.140 11.204 1.00 43.15 C ATOM 449 OD1 ASN A 53 7.199 2.979 12.409 1.00 4.43 O ATOM 450 ND2 ASN A 53 7.558 4.136 10.518 1.00 1.32 N ATOM 0 H ASN A 53 5.197 -0.282 10.779 1.00 14.12 H new ATOM 0 HA ASN A 53 7.345 0.949 9.159 1.00 40.11 H new ATOM 0 HB2 ASN A 53 5.822 2.664 9.488 1.00 12.11 H new ATOM 0 HB3 ASN A 53 5.214 1.994 10.989 1.00 12.11 H new ATOM 0 HD21 ASN A 53 8.164 4.807 10.990 1.00 1.32 H new ATOM 0 HD22 ASN A 53 7.373 4.230 9.519 1.00 1.32 H new ATOM 457 N ASP A 54 9.116 0.528 10.819 1.00 4.14 N ATOM 458 CA ASP A 54 10.191 0.240 11.762 1.00 74.13 C ATOM 459 C ASP A 54 11.225 1.361 11.767 1.00 51.24 C ATOM 460 O ASP A 54 12.430 1.109 11.769 1.00 51.12 O ATOM 461 CB ASP A 54 10.863 -1.089 11.412 1.00 42.11 C ATOM 462 CG ASP A 54 11.122 -1.946 12.635 1.00 32.31 C ATOM 463 OD1 ASP A 54 10.172 -2.601 13.111 1.00 32.23 O ATOM 464 OD2 ASP A 54 12.274 -1.961 13.116 1.00 21.23 O ATOM 0 H ASP A 54 9.429 0.709 9.865 1.00 4.14 H new ATOM 0 HA ASP A 54 9.756 0.167 12.759 1.00 74.13 H new ATOM 0 HB2 ASP A 54 10.232 -1.639 10.713 1.00 42.11 H new ATOM 0 HB3 ASP A 54 11.807 -0.893 10.903 1.00 42.11 H new ATOM 469 N SER A 55 10.745 2.601 11.765 1.00 4.33 N ATOM 470 CA SER A 55 11.628 3.762 11.765 1.00 40.45 C ATOM 471 C SER A 55 12.722 3.614 12.817 1.00 63.12 C ATOM 472 O SER A 55 12.590 2.833 13.761 1.00 4.33 O ATOM 473 CB SER A 55 10.827 5.039 12.022 1.00 13.44 C ATOM 474 OG SER A 55 11.664 6.083 12.487 1.00 44.12 O ATOM 0 H SER A 55 9.750 2.827 11.763 1.00 4.33 H new ATOM 0 HA SER A 55 12.099 3.828 10.784 1.00 40.45 H new ATOM 0 HB2 SER A 55 10.329 5.350 11.104 1.00 13.44 H new ATOM 0 HB3 SER A 55 10.046 4.840 12.756 1.00 13.44 H new ATOM 0 HG SER A 55 11.127 6.888 12.642 1.00 44.12 H new ATOM 734 N THR A 75 15.645 -0.223 4.323 1.00 41.22 N ATOM 735 CA THR A 75 14.217 0.063 4.368 1.00 13.20 C ATOM 736 C THR A 75 13.589 -0.473 5.649 1.00 1.24 C ATOM 737 O THR A 75 13.846 -1.608 6.052 1.00 44.23 O ATOM 738 CB THR A 75 13.485 -0.545 3.157 1.00 54.43 C ATOM 739 OG1 THR A 75 13.040 -1.869 3.468 1.00 71.43 O ATOM 740 CG2 THR A 75 14.392 -0.582 1.938 1.00 45.43 C ATOM 0 HA THR A 75 14.110 1.147 4.341 1.00 13.20 H new ATOM 0 HB THR A 75 12.624 0.083 2.929 1.00 54.43 H new ATOM 0 HG1 THR A 75 13.709 -2.316 4.027 1.00 71.43 H new ATOM 0 HG21 THR A 75 13.852 -1.016 1.096 1.00 45.43 H new ATOM 0 HG22 THR A 75 14.704 0.431 1.686 1.00 45.43 H new ATOM 0 HG23 THR A 75 15.271 -1.189 2.157 1.00 45.43 H new ATOM 748 N HIS A 76 12.763 0.351 6.287 1.00 11.31 N ATOM 749 CA HIS A 76 12.097 -0.042 7.523 1.00 53.30 C ATOM 750 C HIS A 76 10.581 0.057 7.378 1.00 12.05 C ATOM 751 O HIS A 76 9.832 -0.481 8.195 1.00 65.01 O ATOM 752 CB HIS A 76 12.568 0.837 8.683 1.00 70.32 C ATOM 753 CG HIS A 76 14.040 0.744 8.945 1.00 74.13 C ATOM 754 ND1 HIS A 76 14.832 -0.264 8.437 1.00 53.33 N ATOM 755 CD2 HIS A 76 14.862 1.541 9.666 1.00 13.10 C ATOM 756 CE1 HIS A 76 16.079 -0.083 8.835 1.00 33.24 C ATOM 757 NE2 HIS A 76 16.123 1.005 9.582 1.00 43.00 N ATOM 0 H HIS A 76 12.539 1.294 5.968 1.00 11.31 H new ATOM 0 HA HIS A 76 12.358 -1.079 7.733 1.00 53.30 H new ATOM 0 HB2 HIS A 76 12.310 1.874 8.470 1.00 70.32 H new ATOM 0 HB3 HIS A 76 12.028 0.553 9.586 1.00 70.32 H new ATOM 0 HD1 HIS A 76 14.506 -1.029 7.847 1.00 53.33 H new ATOM 0 HD2 HIS A 76 14.579 2.432 10.206 1.00 13.10 H new ATOM 0 HE1 HIS A 76 16.919 -0.717 8.591 1.00 33.24 H new ATOM 765 N PHE A 77 10.134 0.748 6.334 1.00 22.21 N ATOM 766 CA PHE A 77 8.709 0.918 6.084 1.00 54.03 C ATOM 767 C PHE A 77 8.283 0.163 4.828 1.00 63.11 C ATOM 768 O PHE A 77 8.956 0.220 3.798 1.00 12.42 O ATOM 769 CB PHE A 77 8.368 2.403 5.939 1.00 33.20 C ATOM 770 CG PHE A 77 6.892 2.676 5.884 1.00 4.22 C ATOM 771 CD1 PHE A 77 6.171 2.424 4.729 1.00 55.23 C ATOM 772 CD2 PHE A 77 6.227 3.188 6.987 1.00 64.21 C ATOM 773 CE1 PHE A 77 4.811 2.675 4.674 1.00 5.12 C ATOM 774 CE2 PHE A 77 4.869 3.440 6.939 1.00 63.24 C ATOM 775 CZ PHE A 77 4.161 3.184 5.781 1.00 43.04 C ATOM 0 H PHE A 77 10.739 1.199 5.648 1.00 22.21 H new ATOM 0 HA PHE A 77 8.165 0.509 6.935 1.00 54.03 H new ATOM 0 HB2 PHE A 77 8.800 2.950 6.777 1.00 33.20 H new ATOM 0 HB3 PHE A 77 8.835 2.788 5.032 1.00 33.20 H new ATOM 0 HD1 PHE A 77 6.676 2.027 3.861 1.00 55.23 H new ATOM 0 HD2 PHE A 77 6.776 3.392 7.894 1.00 64.21 H new ATOM 0 HE1 PHE A 77 4.259 2.473 3.768 1.00 5.12 H new ATOM 0 HE2 PHE A 77 4.362 3.837 7.806 1.00 63.24 H new ATOM 0 HZ PHE A 77 3.100 3.382 5.741 1.00 43.04 H new ATOM 785 N ARG A 78 7.162 -0.545 4.921 1.00 55.15 N ATOM 786 CA ARG A 78 6.647 -1.313 3.794 1.00 51.14 C ATOM 787 C ARG A 78 5.121 -1.330 3.799 1.00 64.34 C ATOM 788 O ARG A 78 4.496 -1.637 4.815 1.00 63.13 O ATOM 789 CB ARG A 78 7.184 -2.745 3.837 1.00 52.31 C ATOM 790 CG ARG A 78 6.094 -3.804 3.831 1.00 20.31 C ATOM 791 CD ARG A 78 6.681 -5.207 3.783 1.00 11.20 C ATOM 792 NE ARG A 78 6.787 -5.709 2.415 1.00 0.22 N ATOM 793 CZ ARG A 78 7.064 -6.973 2.116 1.00 55.41 C ATOM 794 NH1 ARG A 78 7.260 -7.859 3.083 1.00 42.54 N ATOM 795 NH2 ARG A 78 7.143 -7.353 0.848 1.00 63.41 N ATOM 0 H ARG A 78 6.593 -0.603 5.766 1.00 55.15 H new ATOM 0 HA ARG A 78 6.985 -0.833 2.875 1.00 51.14 H new ATOM 0 HB2 ARG A 78 7.839 -2.905 2.980 1.00 52.31 H new ATOM 0 HB3 ARG A 78 7.794 -2.869 4.732 1.00 52.31 H new ATOM 0 HG2 ARG A 78 5.476 -3.697 4.723 1.00 20.31 H new ATOM 0 HG3 ARG A 78 5.442 -3.652 2.971 1.00 20.31 H new ATOM 0 HD2 ARG A 78 7.668 -5.203 4.245 1.00 11.20 H new ATOM 0 HD3 ARG A 78 6.057 -5.881 4.369 1.00 11.20 H new ATOM 0 HE ARG A 78 6.640 -5.053 1.648 1.00 0.22 H new ATOM 0 HH11 ARG A 78 7.198 -7.570 4.059 1.00 42.54 H new ATOM 0 HH12 ARG A 78 7.473 -8.829 2.850 1.00 42.54 H new ATOM 0 HH21 ARG A 78 6.991 -6.674 0.102 1.00 63.41 H new ATOM 0 HH22 ARG A 78 7.356 -8.324 0.619 1.00 63.41 H new ATOM 809 N LEU A 79 4.528 -0.997 2.658 1.00 72.00 N ATOM 810 CA LEU A 79 3.074 -0.974 2.530 1.00 42.32 C ATOM 811 C LEU A 79 2.608 -1.929 1.437 1.00 65.21 C ATOM 812 O LEU A 79 2.938 -1.754 0.264 1.00 23.31 O ATOM 813 CB LEU A 79 2.593 0.445 2.222 1.00 43.42 C ATOM 814 CG LEU A 79 1.092 0.693 2.378 1.00 43.24 C ATOM 815 CD1 LEU A 79 0.323 0.048 1.235 1.00 31.24 C ATOM 816 CD2 LEU A 79 0.601 0.167 3.719 1.00 53.21 C ATOM 0 H LEU A 79 5.030 -0.739 1.809 1.00 72.00 H new ATOM 0 HA LEU A 79 2.645 -1.300 3.478 1.00 42.32 H new ATOM 0 HB2 LEU A 79 3.125 1.137 2.874 1.00 43.42 H new ATOM 0 HB3 LEU A 79 2.877 0.689 1.198 1.00 43.42 H new ATOM 0 HG LEU A 79 0.915 1.768 2.346 1.00 43.24 H new ATOM 0 HD11 LEU A 79 -0.743 0.235 1.363 1.00 31.24 H new ATOM 0 HD12 LEU A 79 0.655 0.473 0.288 1.00 31.24 H new ATOM 0 HD13 LEU A 79 0.506 -1.027 1.234 1.00 31.24 H new ATOM 0 HD21 LEU A 79 -0.469 0.352 3.813 1.00 53.21 H new ATOM 0 HD22 LEU A 79 0.791 -0.905 3.781 1.00 53.21 H new ATOM 0 HD23 LEU A 79 1.129 0.676 4.525 1.00 53.21 H new ATOM 828 N GLU A 80 1.838 -2.939 1.830 1.00 31.10 N ATOM 829 CA GLU A 80 1.325 -3.922 0.882 1.00 2.34 C ATOM 830 C GLU A 80 -0.200 -3.965 0.913 1.00 0.24 C ATOM 831 O GLU A 80 -0.818 -3.701 1.945 1.00 54.34 O ATOM 832 CB GLU A 80 1.892 -5.309 1.195 1.00 74.02 C ATOM 833 CG GLU A 80 3.188 -5.616 0.464 1.00 2.02 C ATOM 834 CD GLU A 80 3.700 -7.014 0.746 1.00 34.45 C ATOM 835 OE1 GLU A 80 3.364 -7.566 1.817 1.00 54.45 O ATOM 836 OE2 GLU A 80 4.437 -7.559 -0.102 1.00 55.02 O ATOM 0 H GLU A 80 1.556 -3.098 2.797 1.00 31.10 H new ATOM 0 HA GLU A 80 1.642 -3.624 -0.118 1.00 2.34 H new ATOM 0 HB2 GLU A 80 2.063 -5.389 2.269 1.00 74.02 H new ATOM 0 HB3 GLU A 80 1.150 -6.063 0.933 1.00 74.02 H new ATOM 0 HG2 GLU A 80 3.032 -5.500 -0.609 1.00 2.02 H new ATOM 0 HG3 GLU A 80 3.946 -4.890 0.756 1.00 2.02 H new ATOM 843 N VAL A 81 -0.801 -4.298 -0.225 1.00 43.50 N ATOM 844 CA VAL A 81 -2.252 -4.375 -0.329 1.00 31.34 C ATOM 845 C VAL A 81 -2.677 -5.511 -1.252 1.00 12.01 C ATOM 846 O VAL A 81 -2.245 -5.586 -2.403 1.00 73.51 O ATOM 847 CB VAL A 81 -2.849 -3.055 -0.850 1.00 1.43 C ATOM 848 CG1 VAL A 81 -1.752 -2.143 -1.378 1.00 65.41 C ATOM 849 CG2 VAL A 81 -3.890 -3.328 -1.925 1.00 20.02 C ATOM 0 H VAL A 81 -0.304 -4.519 -1.088 1.00 43.50 H new ATOM 0 HA VAL A 81 -2.631 -4.565 0.675 1.00 31.34 H new ATOM 0 HB VAL A 81 -3.341 -2.548 -0.020 1.00 1.43 H new ATOM 0 HG11 VAL A 81 -2.194 -1.215 -1.742 1.00 65.41 H new ATOM 0 HG12 VAL A 81 -1.047 -1.920 -0.577 1.00 65.41 H new ATOM 0 HG13 VAL A 81 -1.228 -2.640 -2.194 1.00 65.41 H new ATOM 0 HG21 VAL A 81 -4.301 -2.384 -2.282 1.00 20.02 H new ATOM 0 HG22 VAL A 81 -3.425 -3.858 -2.756 1.00 20.02 H new ATOM 0 HG23 VAL A 81 -4.691 -3.938 -1.509 1.00 20.02 H new ATOM 859 N THR A 82 -3.528 -6.396 -0.740 1.00 52.31 N ATOM 860 CA THR A 82 -4.013 -7.529 -1.518 1.00 63.30 C ATOM 861 C THR A 82 -5.529 -7.488 -1.665 1.00 11.04 C ATOM 862 O THR A 82 -6.259 -7.575 -0.677 1.00 53.13 O ATOM 863 CB THR A 82 -3.605 -8.867 -0.874 1.00 14.11 C ATOM 864 OG1 THR A 82 -2.189 -8.901 -0.667 1.00 61.24 O ATOM 865 CG2 THR A 82 -4.024 -10.039 -1.748 1.00 65.33 C ATOM 0 H THR A 82 -3.895 -6.349 0.210 1.00 52.31 H new ATOM 0 HA THR A 82 -3.555 -7.455 -2.504 1.00 63.30 H new ATOM 0 HB THR A 82 -4.113 -8.951 0.087 1.00 14.11 H new ATOM 0 HG1 THR A 82 -1.939 -9.755 -0.256 1.00 61.24 H new ATOM 0 HG21 THR A 82 -3.725 -10.973 -1.272 1.00 65.33 H new ATOM 0 HG22 THR A 82 -5.106 -10.028 -1.877 1.00 65.33 H new ATOM 0 HG23 THR A 82 -3.541 -9.957 -2.722 1.00 65.33 H new ATOM 873 N SER A 83 -5.997 -7.357 -2.902 1.00 12.02 N ATOM 874 CA SER A 83 -7.428 -7.303 -3.176 1.00 50.52 C ATOM 875 C SER A 83 -7.856 -8.466 -4.064 1.00 61.40 C ATOM 876 O SER A 83 -7.561 -8.491 -5.259 1.00 20.30 O ATOM 877 CB SER A 83 -7.789 -5.975 -3.846 1.00 71.44 C ATOM 878 OG SER A 83 -6.659 -5.127 -3.939 1.00 11.34 O ATOM 0 H SER A 83 -5.406 -7.286 -3.730 1.00 12.02 H new ATOM 0 HA SER A 83 -7.958 -7.380 -2.227 1.00 50.52 H new ATOM 0 HB2 SER A 83 -8.189 -6.164 -4.842 1.00 71.44 H new ATOM 0 HB3 SER A 83 -8.574 -5.478 -3.276 1.00 71.44 H new ATOM 0 HG SER A 83 -6.405 -4.822 -3.043 1.00 11.34 H new ATOM 884 N ASP A 84 -8.553 -9.429 -3.471 1.00 61.41 N ATOM 885 CA ASP A 84 -9.023 -10.598 -4.207 1.00 11.02 C ATOM 886 C ASP A 84 -7.856 -11.497 -4.601 1.00 20.50 C ATOM 887 O ASP A 84 -8.033 -12.480 -5.321 1.00 23.53 O ATOM 888 CB ASP A 84 -9.794 -10.164 -5.455 1.00 44.01 C ATOM 889 CG ASP A 84 -11.246 -10.596 -5.417 1.00 64.34 C ATOM 890 OD1 ASP A 84 -11.502 -11.818 -5.375 1.00 4.22 O ATOM 891 OD2 ASP A 84 -12.128 -9.712 -5.431 1.00 4.03 O ATOM 0 H ASP A 84 -8.805 -9.424 -2.483 1.00 61.41 H new ATOM 0 HA ASP A 84 -9.690 -11.164 -3.556 1.00 11.02 H new ATOM 0 HB2 ASP A 84 -9.743 -9.079 -5.551 1.00 44.01 H new ATOM 0 HB3 ASP A 84 -9.316 -10.585 -6.339 1.00 44.01 H new ATOM 896 N ALA A 85 -6.664 -11.154 -4.125 1.00 64.21 N ATOM 897 CA ALA A 85 -5.467 -11.931 -4.428 1.00 55.11 C ATOM 898 C ALA A 85 -5.385 -12.257 -5.915 1.00 35.13 C ATOM 899 O ALA A 85 -5.729 -13.361 -6.340 1.00 22.35 O ATOM 900 CB ALA A 85 -5.447 -13.210 -3.604 1.00 13.12 C ATOM 0 H ALA A 85 -6.501 -10.343 -3.528 1.00 64.21 H new ATOM 0 HA ALA A 85 -4.597 -11.329 -4.167 1.00 55.11 H new ATOM 0 HB1 ALA A 85 -4.549 -13.781 -3.840 1.00 13.12 H new ATOM 0 HB2 ALA A 85 -5.450 -12.959 -2.543 1.00 13.12 H new ATOM 0 HB3 ALA A 85 -6.328 -13.807 -3.838 1.00 13.12 H new ATOM 906 N PHE A 86 -4.931 -11.289 -6.703 1.00 70.34 N ATOM 907 CA PHE A 86 -4.805 -11.472 -8.145 1.00 72.42 C ATOM 908 C PHE A 86 -4.258 -10.211 -8.808 1.00 32.33 C ATOM 909 O PHE A 86 -5.015 -9.314 -9.181 1.00 4.14 O ATOM 910 CB PHE A 86 -6.162 -11.835 -8.754 1.00 1.42 C ATOM 911 CG PHE A 86 -6.199 -13.210 -9.357 1.00 65.05 C ATOM 912 CD1 PHE A 86 -5.367 -13.539 -10.416 1.00 63.23 C ATOM 913 CD2 PHE A 86 -7.066 -14.173 -8.867 1.00 44.45 C ATOM 914 CE1 PHE A 86 -5.400 -14.802 -10.974 1.00 64.50 C ATOM 915 CE2 PHE A 86 -7.103 -15.439 -9.421 1.00 62.24 C ATOM 916 CZ PHE A 86 -6.268 -15.754 -10.475 1.00 33.11 C ATOM 0 H PHE A 86 -4.644 -10.369 -6.368 1.00 70.34 H new ATOM 0 HA PHE A 86 -4.104 -12.288 -8.323 1.00 72.42 H new ATOM 0 HB2 PHE A 86 -6.928 -11.765 -7.982 1.00 1.42 H new ATOM 0 HB3 PHE A 86 -6.414 -11.103 -9.521 1.00 1.42 H new ATOM 0 HD1 PHE A 86 -4.685 -12.799 -10.809 1.00 63.23 H new ATOM 0 HD2 PHE A 86 -7.721 -13.932 -8.043 1.00 44.45 H new ATOM 0 HE1 PHE A 86 -4.748 -15.045 -11.800 1.00 64.50 H new ATOM 0 HE2 PHE A 86 -7.784 -16.181 -9.030 1.00 62.24 H new ATOM 0 HZ PHE A 86 -6.294 -16.743 -10.908 1.00 33.11 H new ATOM 926 N LYS A 87 -2.939 -10.151 -8.952 1.00 12.04 N ATOM 927 CA LYS A 87 -2.288 -9.002 -9.570 1.00 31.11 C ATOM 928 C LYS A 87 -2.712 -8.856 -11.028 1.00 25.34 C ATOM 929 O LYS A 87 -2.761 -9.836 -11.771 1.00 43.52 O ATOM 930 CB LYS A 87 -0.767 -9.142 -9.481 1.00 11.05 C ATOM 931 CG LYS A 87 -0.068 -7.886 -8.991 1.00 24.12 C ATOM 932 CD LYS A 87 -0.008 -6.823 -10.075 1.00 3.52 C ATOM 933 CE LYS A 87 0.885 -7.254 -11.229 1.00 45.44 C ATOM 934 NZ LYS A 87 1.205 -6.117 -12.137 1.00 31.23 N ATOM 0 H LYS A 87 -2.299 -10.885 -8.649 1.00 12.04 H new ATOM 0 HA LYS A 87 -2.596 -8.107 -9.029 1.00 31.11 H new ATOM 0 HB2 LYS A 87 -0.525 -9.967 -8.811 1.00 11.05 H new ATOM 0 HB3 LYS A 87 -0.377 -9.405 -10.464 1.00 11.05 H new ATOM 0 HG2 LYS A 87 -0.594 -7.491 -8.122 1.00 24.12 H new ATOM 0 HG3 LYS A 87 0.943 -8.134 -8.667 1.00 24.12 H new ATOM 0 HD2 LYS A 87 -1.013 -6.623 -10.446 1.00 3.52 H new ATOM 0 HD3 LYS A 87 0.367 -5.891 -9.652 1.00 3.52 H new ATOM 0 HE2 LYS A 87 1.810 -7.676 -10.835 1.00 45.44 H new ATOM 0 HE3 LYS A 87 0.391 -8.043 -11.795 1.00 45.44 H new ATOM 0 HZ1 LYS A 87 1.815 -6.451 -12.910 1.00 31.23 H new ATOM 0 HZ2 LYS A 87 0.324 -5.731 -12.533 1.00 31.23 H new ATOM 0 HZ3 LYS A 87 1.699 -5.374 -11.602 1.00 31.23 H new ATOM 948 N GLY A 88 -3.015 -7.626 -11.432 1.00 72.30 N ATOM 949 CA GLY A 88 -3.429 -7.376 -12.800 1.00 44.23 C ATOM 950 C GLY A 88 -3.151 -5.951 -13.238 1.00 33.41 C ATOM 951 O GLY A 88 -2.251 -5.705 -14.043 1.00 35.15 O ATOM 0 H GLY A 88 -2.981 -6.799 -10.836 1.00 72.30 H new ATOM 0 HA2 GLY A 88 -2.909 -8.065 -13.465 1.00 44.23 H new ATOM 0 HA3 GLY A 88 -4.495 -7.581 -12.897 1.00 44.23 H new ATOM 955 N LEU A 89 -3.926 -5.011 -12.709 1.00 44.35 N ATOM 956 CA LEU A 89 -3.761 -3.602 -13.052 1.00 45.24 C ATOM 957 C LEU A 89 -2.546 -3.009 -12.345 1.00 4.31 C ATOM 958 O LEU A 89 -2.076 -3.543 -11.340 1.00 31.35 O ATOM 959 CB LEU A 89 -5.017 -2.815 -12.678 1.00 13.14 C ATOM 960 CG LEU A 89 -6.296 -3.200 -13.422 1.00 52.41 C ATOM 961 CD1 LEU A 89 -7.486 -3.200 -12.475 1.00 5.04 C ATOM 962 CD2 LEU A 89 -6.541 -2.252 -14.587 1.00 64.33 C ATOM 0 H LEU A 89 -4.674 -5.198 -12.042 1.00 44.35 H new ATOM 0 HA LEU A 89 -3.603 -3.531 -14.128 1.00 45.24 H new ATOM 0 HB2 LEU A 89 -5.192 -2.935 -11.609 1.00 13.14 H new ATOM 0 HB3 LEU A 89 -4.824 -1.757 -12.852 1.00 13.14 H new ATOM 0 HG LEU A 89 -6.173 -4.208 -13.818 1.00 52.41 H new ATOM 0 HD11 LEU A 89 -8.387 -3.476 -13.023 1.00 5.04 H new ATOM 0 HD12 LEU A 89 -7.314 -3.919 -11.674 1.00 5.04 H new ATOM 0 HD13 LEU A 89 -7.612 -2.205 -12.049 1.00 5.04 H new ATOM 0 HD21 LEU A 89 -7.455 -2.541 -15.105 1.00 64.33 H new ATOM 0 HD22 LEU A 89 -6.643 -1.234 -14.212 1.00 64.33 H new ATOM 0 HD23 LEU A 89 -5.701 -2.302 -15.279 1.00 64.33 H new ATOM 974 N THR A 90 -2.042 -1.899 -12.876 1.00 71.54 N ATOM 975 CA THR A 90 -0.883 -1.232 -12.296 1.00 24.21 C ATOM 976 C THR A 90 -1.038 -1.072 -10.788 1.00 62.12 C ATOM 977 O THR A 90 -2.072 -0.607 -10.306 1.00 62.20 O ATOM 978 CB THR A 90 -0.658 0.155 -12.927 1.00 35.21 C ATOM 979 OG1 THR A 90 0.566 0.721 -12.444 1.00 74.33 O ATOM 980 CG2 THR A 90 -1.816 1.089 -12.608 1.00 24.24 C ATOM 0 H THR A 90 -2.419 -1.443 -13.707 1.00 71.54 H new ATOM 0 HA THR A 90 -0.019 -1.863 -12.505 1.00 24.21 H new ATOM 0 HB THR A 90 -0.598 0.032 -14.008 1.00 35.21 H new ATOM 0 HG1 THR A 90 0.918 1.353 -13.105 1.00 74.33 H new ATOM 0 HG21 THR A 90 -1.635 2.062 -13.064 1.00 24.24 H new ATOM 0 HG22 THR A 90 -2.741 0.670 -13.003 1.00 24.24 H new ATOM 0 HG23 THR A 90 -1.903 1.205 -11.528 1.00 24.24 H new ATOM 988 N LEU A 91 -0.006 -1.460 -10.047 1.00 34.52 N ATOM 989 CA LEU A 91 -0.028 -1.359 -8.592 1.00 21.31 C ATOM 990 C LEU A 91 0.060 0.097 -8.146 1.00 34.21 C ATOM 991 O LEU A 91 -0.405 0.455 -7.063 1.00 42.05 O ATOM 992 CB LEU A 91 1.128 -2.159 -7.989 1.00 34.55 C ATOM 993 CG LEU A 91 2.522 -1.553 -8.150 1.00 74.11 C ATOM 994 CD1 LEU A 91 3.433 -1.999 -7.018 1.00 22.13 C ATOM 995 CD2 LEU A 91 3.116 -1.934 -9.498 1.00 21.23 C ATOM 0 H LEU A 91 0.856 -1.847 -10.430 1.00 34.52 H new ATOM 0 HA LEU A 91 -0.972 -1.772 -8.238 1.00 21.31 H new ATOM 0 HB2 LEU A 91 0.933 -2.294 -6.925 1.00 34.55 H new ATOM 0 HB3 LEU A 91 1.131 -3.151 -8.441 1.00 34.55 H new ATOM 0 HG LEU A 91 2.432 -0.467 -8.109 1.00 74.11 H new ATOM 0 HD11 LEU A 91 4.421 -1.557 -7.150 1.00 22.13 H new ATOM 0 HD12 LEU A 91 3.015 -1.674 -6.065 1.00 22.13 H new ATOM 0 HD13 LEU A 91 3.518 -3.086 -7.026 1.00 22.13 H new ATOM 0 HD21 LEU A 91 4.108 -1.494 -9.596 1.00 21.23 H new ATOM 0 HD22 LEU A 91 3.191 -3.019 -9.569 1.00 21.23 H new ATOM 0 HD23 LEU A 91 2.474 -1.562 -10.297 1.00 21.23 H new ATOM 1007 N VAL A 92 0.657 0.934 -8.989 1.00 75.41 N ATOM 1008 CA VAL A 92 0.802 2.352 -8.684 1.00 1.23 C ATOM 1009 C VAL A 92 -0.557 3.016 -8.497 1.00 51.43 C ATOM 1010 O VAL A 92 -0.681 4.015 -7.788 1.00 62.42 O ATOM 1011 CB VAL A 92 1.573 3.089 -9.794 1.00 12.22 C ATOM 1012 CG1 VAL A 92 2.873 2.365 -10.113 1.00 55.12 C ATOM 1013 CG2 VAL A 92 0.711 3.228 -11.040 1.00 75.41 C ATOM 0 H VAL A 92 1.048 0.654 -9.889 1.00 75.41 H new ATOM 0 HA VAL A 92 1.367 2.419 -7.754 1.00 1.23 H new ATOM 0 HB VAL A 92 1.820 4.089 -9.438 1.00 12.22 H new ATOM 0 HG11 VAL A 92 3.404 2.901 -10.900 1.00 55.12 H new ATOM 0 HG12 VAL A 92 3.495 2.323 -9.219 1.00 55.12 H new ATOM 0 HG13 VAL A 92 2.652 1.352 -10.449 1.00 55.12 H new ATOM 0 HG21 VAL A 92 1.272 3.751 -11.814 1.00 75.41 H new ATOM 0 HG22 VAL A 92 0.431 2.238 -11.401 1.00 75.41 H new ATOM 0 HG23 VAL A 92 -0.189 3.794 -10.799 1.00 75.41 H new ATOM 1023 N LYS A 93 -1.577 2.454 -9.137 1.00 52.24 N ATOM 1024 CA LYS A 93 -2.929 2.990 -9.042 1.00 12.32 C ATOM 1025 C LYS A 93 -3.457 2.884 -7.615 1.00 71.43 C ATOM 1026 O LYS A 93 -3.967 3.855 -7.058 1.00 1.21 O ATOM 1027 CB LYS A 93 -3.863 2.246 -9.999 1.00 52.24 C ATOM 1028 CG LYS A 93 -5.303 2.727 -9.942 1.00 54.50 C ATOM 1029 CD LYS A 93 -6.270 1.572 -9.754 1.00 32.33 C ATOM 1030 CE LYS A 93 -6.053 0.874 -8.420 1.00 22.12 C ATOM 1031 NZ LYS A 93 -7.173 -0.049 -8.087 1.00 43.13 N ATOM 0 H LYS A 93 -1.492 1.627 -9.728 1.00 52.24 H new ATOM 0 HA LYS A 93 -2.896 4.043 -9.321 1.00 12.32 H new ATOM 0 HB2 LYS A 93 -3.491 2.359 -11.017 1.00 52.24 H new ATOM 0 HB3 LYS A 93 -3.835 1.182 -9.766 1.00 52.24 H new ATOM 0 HG2 LYS A 93 -5.418 3.436 -9.122 1.00 54.50 H new ATOM 0 HG3 LYS A 93 -5.546 3.260 -10.861 1.00 54.50 H new ATOM 0 HD2 LYS A 93 -7.294 1.941 -9.810 1.00 32.33 H new ATOM 0 HD3 LYS A 93 -6.144 0.855 -10.565 1.00 32.33 H new ATOM 0 HE2 LYS A 93 -5.118 0.314 -8.451 1.00 22.12 H new ATOM 0 HE3 LYS A 93 -5.951 1.620 -7.632 1.00 22.12 H new ATOM 0 HZ1 LYS A 93 -7.537 0.175 -7.139 1.00 43.13 H new ATOM 0 HZ2 LYS A 93 -7.935 0.063 -8.786 1.00 43.13 H new ATOM 0 HZ3 LYS A 93 -6.830 -1.031 -8.103 1.00 43.13 H new ATOM 1045 N ARG A 94 -3.331 1.697 -7.029 1.00 0.53 N ATOM 1046 CA ARG A 94 -3.795 1.464 -5.667 1.00 41.42 C ATOM 1047 C ARG A 94 -2.962 2.260 -4.666 1.00 21.23 C ATOM 1048 O ARG A 94 -3.494 2.822 -3.708 1.00 11.50 O ATOM 1049 CB ARG A 94 -3.729 -0.026 -5.330 1.00 71.34 C ATOM 1050 CG ARG A 94 -4.927 -0.817 -5.832 1.00 4.30 C ATOM 1051 CD ARG A 94 -5.400 -1.826 -4.797 1.00 63.53 C ATOM 1052 NE ARG A 94 -6.855 -1.951 -4.780 1.00 4.22 N ATOM 1053 CZ ARG A 94 -7.658 -1.104 -4.146 1.00 31.11 C ATOM 1054 NH1 ARG A 94 -7.149 -0.076 -3.480 1.00 54.01 N ATOM 1055 NH2 ARG A 94 -8.971 -1.284 -4.176 1.00 15.32 N ATOM 0 H ARG A 94 -2.911 0.882 -7.477 1.00 0.53 H new ATOM 0 HA ARG A 94 -4.830 1.798 -5.601 1.00 41.42 H new ATOM 0 HB2 ARG A 94 -2.820 -0.447 -5.760 1.00 71.34 H new ATOM 0 HB3 ARG A 94 -3.654 -0.143 -4.249 1.00 71.34 H new ATOM 0 HG2 ARG A 94 -5.741 -0.133 -6.074 1.00 4.30 H new ATOM 0 HG3 ARG A 94 -4.662 -1.336 -6.753 1.00 4.30 H new ATOM 0 HD2 ARG A 94 -4.955 -2.798 -5.009 1.00 63.53 H new ATOM 0 HD3 ARG A 94 -5.051 -1.524 -3.810 1.00 63.53 H new ATOM 0 HE ARG A 94 -7.278 -2.732 -5.283 1.00 4.22 H new ATOM 0 HH11 ARG A 94 -6.139 0.065 -3.454 1.00 54.01 H new ATOM 0 HH12 ARG A 94 -7.767 0.573 -2.994 1.00 54.01 H new ATOM 0 HH21 ARG A 94 -9.366 -2.074 -4.686 1.00 15.32 H new ATOM 0 HH22 ARG A 94 -9.586 -0.633 -3.689 1.00 15.32 H new ATOM 1069 N HIS A 95 -1.654 2.302 -4.894 1.00 3.43 N ATOM 1070 CA HIS A 95 -0.747 3.028 -4.011 1.00 2.22 C ATOM 1071 C HIS A 95 -1.021 4.528 -4.066 1.00 41.42 C ATOM 1072 O HIS A 95 -0.969 5.215 -3.046 1.00 44.33 O ATOM 1073 CB HIS A 95 0.706 2.750 -4.396 1.00 51.02 C ATOM 1074 CG HIS A 95 1.679 3.724 -3.807 1.00 24.53 C ATOM 1075 ND1 HIS A 95 1.571 4.210 -2.522 1.00 3.13 N ATOM 1076 CD2 HIS A 95 2.785 4.299 -4.334 1.00 11.34 C ATOM 1077 CE1 HIS A 95 2.568 5.045 -2.283 1.00 73.15 C ATOM 1078 NE2 HIS A 95 3.319 5.116 -3.368 1.00 1.33 N ATOM 0 H HIS A 95 -1.198 1.842 -5.682 1.00 3.43 H new ATOM 0 HA HIS A 95 -0.918 2.681 -2.992 1.00 2.22 H new ATOM 0 HB2 HIS A 95 0.972 1.743 -4.074 1.00 51.02 H new ATOM 0 HB3 HIS A 95 0.796 2.771 -5.482 1.00 51.02 H new ATOM 0 HD2 HIS A 95 3.175 4.144 -5.329 1.00 11.34 H new ATOM 0 HE1 HIS A 95 2.739 5.578 -1.359 1.00 73.15 H new ATOM 0 HE2 HIS A 95 4.159 5.685 -3.471 1.00 1.33 H new ATOM 1086 N GLN A 96 -1.313 5.029 -5.263 1.00 20.35 N ATOM 1087 CA GLN A 96 -1.594 6.447 -5.449 1.00 21.21 C ATOM 1088 C GLN A 96 -2.947 6.817 -4.851 1.00 51.12 C ATOM 1089 O GLN A 96 -3.135 7.930 -4.355 1.00 71.41 O ATOM 1090 CB GLN A 96 -1.565 6.802 -6.936 1.00 55.45 C ATOM 1091 CG GLN A 96 -2.111 8.189 -7.241 1.00 1.22 C ATOM 1092 CD GLN A 96 -1.192 8.993 -8.139 1.00 44.44 C ATOM 1093 OE1 GLN A 96 -0.333 9.736 -7.663 1.00 20.35 O ATOM 1094 NE2 GLN A 96 -1.366 8.849 -9.447 1.00 35.30 N ATOM 0 H GLN A 96 -1.361 4.474 -6.117 1.00 20.35 H new ATOM 0 HA GLN A 96 -0.822 7.016 -4.932 1.00 21.21 H new ATOM 0 HB2 GLN A 96 -0.538 6.737 -7.297 1.00 55.45 H new ATOM 0 HB3 GLN A 96 -2.144 6.063 -7.489 1.00 55.45 H new ATOM 0 HG2 GLN A 96 -3.087 8.095 -7.717 1.00 1.22 H new ATOM 0 HG3 GLN A 96 -2.263 8.729 -6.306 1.00 1.22 H new ATOM 0 HE21 GLN A 96 -2.090 8.223 -9.799 1.00 35.30 H new ATOM 0 HE22 GLN A 96 -0.776 9.365 -10.100 1.00 35.30 H new ATOM 1103 N LEU A 97 -3.886 5.879 -4.901 1.00 12.44 N ATOM 1104 CA LEU A 97 -5.223 6.107 -4.364 1.00 13.01 C ATOM 1105 C LEU A 97 -5.170 6.365 -2.861 1.00 75.15 C ATOM 1106 O LEU A 97 -5.783 7.309 -2.362 1.00 5.53 O ATOM 1107 CB LEU A 97 -6.124 4.905 -4.655 1.00 24.12 C ATOM 1108 CG LEU A 97 -6.719 4.838 -6.062 1.00 70.21 C ATOM 1109 CD1 LEU A 97 -7.282 3.452 -6.337 1.00 71.24 C ATOM 1110 CD2 LEU A 97 -7.796 5.898 -6.236 1.00 14.01 C ATOM 0 H LEU A 97 -3.747 4.954 -5.308 1.00 12.44 H new ATOM 0 HA LEU A 97 -5.637 6.990 -4.851 1.00 13.01 H new ATOM 0 HB2 LEU A 97 -5.550 3.995 -4.481 1.00 24.12 H new ATOM 0 HB3 LEU A 97 -6.943 4.907 -3.936 1.00 24.12 H new ATOM 0 HG LEU A 97 -5.925 5.035 -6.782 1.00 70.21 H new ATOM 0 HD11 LEU A 97 -7.701 3.423 -7.343 1.00 71.24 H new ATOM 0 HD12 LEU A 97 -6.485 2.713 -6.254 1.00 71.24 H new ATOM 0 HD13 LEU A 97 -8.063 3.226 -5.611 1.00 71.24 H new ATOM 0 HD21 LEU A 97 -8.208 5.836 -7.243 1.00 14.01 H new ATOM 0 HD22 LEU A 97 -8.590 5.733 -5.508 1.00 14.01 H new ATOM 0 HD23 LEU A 97 -7.362 6.886 -6.082 1.00 14.01 H new ATOM 1122 N ILE A 98 -4.435 5.520 -2.147 1.00 62.21 N ATOM 1123 CA ILE A 98 -4.299 5.659 -0.702 1.00 63.32 C ATOM 1124 C ILE A 98 -3.225 6.682 -0.347 1.00 34.44 C ATOM 1125 O ILE A 98 -3.295 7.333 0.697 1.00 63.44 O ATOM 1126 CB ILE A 98 -3.951 4.313 -0.038 1.00 1.21 C ATOM 1127 CG1 ILE A 98 -2.581 3.825 -0.512 1.00 4.35 C ATOM 1128 CG2 ILE A 98 -5.023 3.278 -0.345 1.00 1.55 C ATOM 1129 CD1 ILE A 98 -2.109 2.573 0.192 1.00 60.42 C ATOM 0 H ILE A 98 -3.924 4.732 -2.545 1.00 62.21 H new ATOM 0 HA ILE A 98 -5.262 6.002 -0.325 1.00 63.32 H new ATOM 0 HB ILE A 98 -3.911 4.457 1.042 1.00 1.21 H new ATOM 0 HG12 ILE A 98 -2.623 3.635 -1.584 1.00 4.35 H new ATOM 0 HG13 ILE A 98 -1.849 4.617 -0.357 1.00 4.35 H new ATOM 0 HG21 ILE A 98 -4.763 2.333 0.131 1.00 1.55 H new ATOM 0 HG22 ILE A 98 -5.983 3.624 0.037 1.00 1.55 H new ATOM 0 HG23 ILE A 98 -5.092 3.134 -1.423 1.00 1.55 H new ATOM 0 HD11 ILE A 98 -1.131 2.285 -0.194 1.00 60.42 H new ATOM 0 HD12 ILE A 98 -2.034 2.764 1.263 1.00 60.42 H new ATOM 0 HD13 ILE A 98 -2.821 1.766 0.016 1.00 60.42 H new ATOM 1141 N TYR A 99 -2.235 6.819 -1.220 1.00 52.52 N ATOM 1142 CA TYR A 99 -1.146 7.763 -0.998 1.00 45.44 C ATOM 1143 C TYR A 99 -0.761 7.813 0.476 1.00 3.32 C ATOM 1144 O TYR A 99 -0.627 8.889 1.059 1.00 63.23 O ATOM 1145 CB TYR A 99 -1.546 9.159 -1.481 1.00 13.10 C ATOM 1146 CG TYR A 99 -2.855 9.647 -0.903 1.00 0.04 C ATOM 1147 CD1 TYR A 99 -4.063 9.356 -1.526 1.00 4.52 C ATOM 1148 CD2 TYR A 99 -2.885 10.398 0.266 1.00 23.42 C ATOM 1149 CE1 TYR A 99 -5.262 9.801 -1.001 1.00 64.33 C ATOM 1150 CE2 TYR A 99 -4.078 10.845 0.798 1.00 34.21 C ATOM 1151 CZ TYR A 99 -5.264 10.544 0.161 1.00 53.43 C ATOM 1152 OH TYR A 99 -6.455 10.989 0.687 1.00 71.14 O ATOM 0 H TYR A 99 -2.163 6.289 -2.088 1.00 52.52 H new ATOM 0 HA TYR A 99 -0.282 7.423 -1.569 1.00 45.44 H new ATOM 0 HB2 TYR A 99 -0.757 9.865 -1.220 1.00 13.10 H new ATOM 0 HB3 TYR A 99 -1.619 9.151 -2.569 1.00 13.10 H new ATOM 0 HD1 TYR A 99 -4.065 8.773 -2.435 1.00 4.52 H new ATOM 0 HD2 TYR A 99 -1.958 10.636 0.767 1.00 23.42 H new ATOM 0 HE1 TYR A 99 -6.192 9.568 -1.498 1.00 64.33 H new ATOM 0 HE2 TYR A 99 -4.083 11.427 1.708 1.00 34.21 H new ATOM 0 HH TYR A 99 -6.281 11.496 1.507 1.00 71.14 H new ATOM 1162 N GLY A 100 -0.582 6.640 1.075 1.00 23.11 N ATOM 1163 CA GLY A 100 -0.213 6.571 2.477 1.00 35.41 C ATOM 1164 C GLY A 100 1.288 6.531 2.680 1.00 1.02 C ATOM 1165 O GLY A 100 1.811 7.123 3.626 1.00 55.34 O ATOM 0 H GLY A 100 -0.686 5.736 0.614 1.00 23.11 H new ATOM 0 HA2 GLY A 100 -0.624 7.434 3.001 1.00 35.41 H new ATOM 0 HA3 GLY A 100 -0.661 5.683 2.924 1.00 35.41 H new ATOM 1169 N LEU A 101 1.985 5.830 1.793 1.00 2.34 N ATOM 1170 CA LEU A 101 3.437 5.713 1.880 1.00 53.15 C ATOM 1171 C LEU A 101 4.101 7.082 1.767 1.00 41.20 C ATOM 1172 O LEU A 101 3.445 8.078 1.462 1.00 14.53 O ATOM 1173 CB LEU A 101 3.960 4.787 0.781 1.00 22.31 C ATOM 1174 CG LEU A 101 5.164 3.919 1.151 1.00 0.24 C ATOM 1175 CD1 LEU A 101 4.911 2.467 0.776 1.00 52.30 C ATOM 1176 CD2 LEU A 101 6.424 4.436 0.471 1.00 12.30 C ATOM 0 H LEU A 101 1.569 5.334 1.005 1.00 2.34 H new ATOM 0 HA LEU A 101 3.686 5.289 2.853 1.00 53.15 H new ATOM 0 HB2 LEU A 101 3.147 4.131 0.469 1.00 22.31 H new ATOM 0 HB3 LEU A 101 4.228 5.396 -0.082 1.00 22.31 H new ATOM 0 HG LEU A 101 5.309 3.974 2.230 1.00 0.24 H new ATOM 0 HD11 LEU A 101 5.778 1.865 1.047 1.00 52.30 H new ATOM 0 HD12 LEU A 101 4.034 2.101 1.310 1.00 52.30 H new ATOM 0 HD13 LEU A 101 4.739 2.393 -0.298 1.00 52.30 H new ATOM 0 HD21 LEU A 101 7.270 3.806 0.746 1.00 12.30 H new ATOM 0 HD22 LEU A 101 6.290 4.412 -0.610 1.00 12.30 H new ATOM 0 HD23 LEU A 101 6.615 5.461 0.790 1.00 12.30 H new ATOM 1188 N LEU A 102 5.406 7.123 2.011 1.00 72.31 N ATOM 1189 CA LEU A 102 6.160 8.369 1.935 1.00 62.12 C ATOM 1190 C LEU A 102 5.685 9.359 2.993 1.00 42.44 C ATOM 1191 O LEU A 102 4.867 10.236 2.714 1.00 73.43 O ATOM 1192 CB LEU A 102 6.021 8.987 0.542 1.00 22.11 C ATOM 1193 CG LEU A 102 6.178 8.026 -0.637 1.00 34.30 C ATOM 1194 CD1 LEU A 102 4.915 8.013 -1.485 1.00 72.22 C ATOM 1195 CD2 LEU A 102 7.385 8.409 -1.481 1.00 34.10 C ATOM 0 H LEU A 102 5.964 6.307 2.263 1.00 72.31 H new ATOM 0 HA LEU A 102 7.209 8.142 2.123 1.00 62.12 H new ATOM 0 HB2 LEU A 102 5.041 9.459 0.472 1.00 22.11 H new ATOM 0 HB3 LEU A 102 6.764 9.778 0.442 1.00 22.11 H new ATOM 0 HG LEU A 102 6.339 7.022 -0.244 1.00 34.30 H new ATOM 0 HD11 LEU A 102 5.044 7.324 -2.320 1.00 72.22 H new ATOM 0 HD12 LEU A 102 4.071 7.691 -0.875 1.00 72.22 H new ATOM 0 HD13 LEU A 102 4.724 9.015 -1.868 1.00 72.22 H new ATOM 0 HD21 LEU A 102 7.481 7.714 -2.315 1.00 34.10 H new ATOM 0 HD22 LEU A 102 7.254 9.421 -1.865 1.00 34.10 H new ATOM 0 HD23 LEU A 102 8.286 8.367 -0.868 1.00 34.10 H new ATOM 1207 N SER A 103 6.206 9.215 4.207 1.00 30.33 N ATOM 1208 CA SER A 103 5.833 10.095 5.308 1.00 3.43 C ATOM 1209 C SER A 103 6.704 9.832 6.533 1.00 4.51 C ATOM 1210 O SER A 103 7.623 10.597 6.831 1.00 53.41 O ATOM 1211 CB SER A 103 4.359 9.903 5.666 1.00 13.42 C ATOM 1212 OG SER A 103 3.548 10.872 5.025 1.00 54.15 O ATOM 0 H SER A 103 6.888 8.497 4.453 1.00 30.33 H new ATOM 0 HA SER A 103 5.990 11.125 4.986 1.00 3.43 H new ATOM 0 HB2 SER A 103 4.038 8.904 5.373 1.00 13.42 H new ATOM 0 HB3 SER A 103 4.232 9.975 6.746 1.00 13.42 H new ATOM 0 HG SER A 103 3.780 10.915 4.074 1.00 54.15 H new ATOM 1218 N ASP A 104 6.409 8.747 7.238 1.00 40.02 N ATOM 1219 CA ASP A 104 7.165 8.380 8.431 1.00 51.51 C ATOM 1220 C ASP A 104 8.493 7.731 8.054 1.00 3.22 C ATOM 1221 O ASP A 104 9.463 7.799 8.808 1.00 23.51 O ATOM 1222 CB ASP A 104 6.348 7.430 9.307 1.00 61.02 C ATOM 1223 CG ASP A 104 6.732 7.517 10.771 1.00 41.15 C ATOM 1224 OD1 ASP A 104 7.685 6.819 11.177 1.00 33.22 O ATOM 1225 OD2 ASP A 104 6.080 8.285 11.509 1.00 23.45 O ATOM 0 H ASP A 104 5.651 8.105 7.005 1.00 40.02 H new ATOM 0 HA ASP A 104 7.373 9.290 8.994 1.00 51.51 H new ATOM 0 HB2 ASP A 104 5.288 7.661 9.198 1.00 61.02 H new ATOM 0 HB3 ASP A 104 6.489 6.407 8.958 1.00 61.02 H new ATOM 1230 N GLU A 105 8.528 7.102 6.883 1.00 32.44 N ATOM 1231 CA GLU A 105 9.736 6.439 6.408 1.00 25.35 C ATOM 1232 C GLU A 105 10.865 7.445 6.205 1.00 34.12 C ATOM 1233 O GLU A 105 12.025 7.163 6.507 1.00 41.20 O ATOM 1234 CB GLU A 105 9.457 5.698 5.099 1.00 13.13 C ATOM 1235 CG GLU A 105 10.675 4.993 4.527 1.00 25.43 C ATOM 1236 CD GLU A 105 11.071 3.768 5.328 1.00 0.24 C ATOM 1237 OE1 GLU A 105 11.233 3.894 6.561 1.00 70.32 O ATOM 1238 OE2 GLU A 105 11.219 2.686 4.725 1.00 61.33 O ATOM 0 H GLU A 105 7.734 7.038 6.246 1.00 32.44 H new ATOM 0 HA GLU A 105 10.046 5.719 7.166 1.00 25.35 H new ATOM 0 HB2 GLU A 105 8.669 4.964 5.268 1.00 13.13 H new ATOM 0 HB3 GLU A 105 9.080 6.408 4.363 1.00 13.13 H new ATOM 0 HG2 GLU A 105 10.469 4.698 3.498 1.00 25.43 H new ATOM 0 HG3 GLU A 105 11.513 5.690 4.498 1.00 25.43 H new ATOM 1245 N PHE A 106 10.517 8.620 5.691 1.00 22.54 N ATOM 1246 CA PHE A 106 11.500 9.669 5.446 1.00 31.12 C ATOM 1247 C PHE A 106 12.279 9.991 6.718 1.00 24.23 C ATOM 1248 O PHE A 106 13.433 10.418 6.662 1.00 44.44 O ATOM 1249 CB PHE A 106 10.811 10.931 4.923 1.00 1.24 C ATOM 1250 CG PHE A 106 11.751 12.084 4.717 1.00 55.33 C ATOM 1251 CD1 PHE A 106 12.563 12.142 3.596 1.00 52.33 C ATOM 1252 CD2 PHE A 106 11.821 13.112 5.644 1.00 1.02 C ATOM 1253 CE1 PHE A 106 13.428 13.203 3.404 1.00 74.42 C ATOM 1254 CE2 PHE A 106 12.685 14.175 5.459 1.00 75.35 C ATOM 1255 CZ PHE A 106 13.489 14.221 4.336 1.00 13.02 C ATOM 0 H PHE A 106 9.561 8.870 5.436 1.00 22.54 H new ATOM 0 HA PHE A 106 12.201 9.308 4.693 1.00 31.12 H new ATOM 0 HB2 PHE A 106 10.318 10.701 3.979 1.00 1.24 H new ATOM 0 HB3 PHE A 106 10.032 11.228 5.625 1.00 1.24 H new ATOM 0 HD1 PHE A 106 12.520 11.349 2.864 1.00 52.33 H new ATOM 0 HD2 PHE A 106 11.193 13.082 6.522 1.00 1.02 H new ATOM 0 HE1 PHE A 106 14.056 13.236 2.526 1.00 74.42 H new ATOM 0 HE2 PHE A 106 12.732 14.968 6.191 1.00 75.35 H new ATOM 0 HZ PHE A 106 14.164 15.051 4.187 1.00 13.02 H new ATOM 1265 N LYS A 107 11.641 9.785 7.865 1.00 63.21 N ATOM 1266 CA LYS A 107 12.273 10.053 9.152 1.00 73.54 C ATOM 1267 C LYS A 107 13.288 8.966 9.495 1.00 14.43 C ATOM 1268 O LYS A 107 14.257 9.215 10.212 1.00 4.32 O ATOM 1269 CB LYS A 107 11.215 10.142 10.253 1.00 13.42 C ATOM 1270 CG LYS A 107 11.795 10.146 11.657 1.00 45.23 C ATOM 1271 CD LYS A 107 10.930 10.944 12.616 1.00 4.42 C ATOM 1272 CE LYS A 107 9.867 10.073 13.266 1.00 42.00 C ATOM 1273 NZ LYS A 107 8.689 9.879 12.376 1.00 14.55 N ATOM 0 H LYS A 107 10.686 9.433 7.930 1.00 63.21 H new ATOM 0 HA LYS A 107 12.796 11.006 9.081 1.00 73.54 H new ATOM 0 HB2 LYS A 107 10.629 11.049 10.109 1.00 13.42 H new ATOM 0 HB3 LYS A 107 10.529 9.300 10.155 1.00 13.42 H new ATOM 0 HG2 LYS A 107 11.887 9.121 12.016 1.00 45.23 H new ATOM 0 HG3 LYS A 107 12.800 10.568 11.635 1.00 45.23 H new ATOM 0 HD2 LYS A 107 11.557 11.391 13.387 1.00 4.42 H new ATOM 0 HD3 LYS A 107 10.452 11.764 12.080 1.00 4.42 H new ATOM 0 HE2 LYS A 107 10.296 9.103 13.517 1.00 42.00 H new ATOM 0 HE3 LYS A 107 9.544 10.531 14.201 1.00 42.00 H new ATOM 0 HZ1 LYS A 107 7.893 9.506 12.931 1.00 14.55 H new ATOM 0 HZ2 LYS A 107 8.419 10.790 11.953 1.00 14.55 H new ATOM 0 HZ3 LYS A 107 8.931 9.206 11.621 1.00 14.55 H new ATOM 1287 N ALA A 108 13.059 7.764 8.978 1.00 13.14 N ATOM 1288 CA ALA A 108 13.956 6.642 9.228 1.00 44.31 C ATOM 1289 C ALA A 108 15.297 6.845 8.531 1.00 53.22 C ATOM 1290 O ALA A 108 16.350 6.550 9.092 1.00 23.05 O ATOM 1291 CB ALA A 108 13.314 5.341 8.771 1.00 14.31 C ATOM 0 H ALA A 108 12.260 7.542 8.384 1.00 13.14 H new ATOM 0 HA ALA A 108 14.138 6.587 10.301 1.00 44.31 H new ATOM 0 HB1 ALA A 108 13.995 4.512 8.964 1.00 14.31 H new ATOM 0 HB2 ALA A 108 12.385 5.182 9.318 1.00 14.31 H new ATOM 0 HB3 ALA A 108 13.102 5.395 7.703 1.00 14.31 H new ATOM 1297 N GLY A 109 15.250 7.351 7.302 1.00 73.12 N ATOM 1298 CA GLY A 109 16.467 7.585 6.549 1.00 71.35 C ATOM 1299 C GLY A 109 16.662 6.575 5.435 1.00 72.21 C ATOM 1300 O GLY A 109 17.574 6.709 4.617 1.00 31.12 O ATOM 0 H GLY A 109 14.390 7.603 6.815 1.00 73.12 H new ATOM 0 HA2 GLY A 109 16.441 8.589 6.125 1.00 71.35 H new ATOM 0 HA3 GLY A 109 17.322 7.546 7.224 1.00 71.35 H new ATOM 1304 N LEU A 110 15.803 5.561 5.400 1.00 25.24 N ATOM 1305 CA LEU A 110 15.886 4.523 4.379 1.00 10.01 C ATOM 1306 C LEU A 110 14.601 4.461 3.560 1.00 11.41 C ATOM 1307 O LEU A 110 13.504 4.637 4.092 1.00 21.43 O ATOM 1308 CB LEU A 110 16.158 3.164 5.026 1.00 33.42 C ATOM 1309 CG LEU A 110 15.514 2.930 6.393 1.00 1.35 C ATOM 1310 CD1 LEU A 110 16.202 3.770 7.458 1.00 4.13 C ATOM 1311 CD2 LEU A 110 14.026 3.245 6.343 1.00 75.34 C ATOM 0 H LEU A 110 15.042 5.436 6.067 1.00 25.24 H new ATOM 0 HA LEU A 110 16.710 4.771 3.710 1.00 10.01 H new ATOM 0 HB2 LEU A 110 15.813 2.385 4.346 1.00 33.42 H new ATOM 0 HB3 LEU A 110 17.236 3.043 5.129 1.00 33.42 H new ATOM 0 HG LEU A 110 15.634 1.879 6.654 1.00 1.35 H new ATOM 0 HD11 LEU A 110 15.730 3.590 8.424 1.00 4.13 H new ATOM 0 HD12 LEU A 110 17.256 3.497 7.512 1.00 4.13 H new ATOM 0 HD13 LEU A 110 16.114 4.826 7.202 1.00 4.13 H new ATOM 0 HD21 LEU A 110 13.584 3.073 7.325 1.00 75.34 H new ATOM 0 HD22 LEU A 110 13.884 4.288 6.059 1.00 75.34 H new ATOM 0 HD23 LEU A 110 13.542 2.600 5.609 1.00 75.34 H new ATOM 1323 N HIS A 111 14.743 4.210 2.263 1.00 51.31 N ATOM 1324 CA HIS A 111 13.593 4.123 1.370 1.00 30.14 C ATOM 1325 C HIS A 111 12.630 3.032 1.831 1.00 53.44 C ATOM 1326 O HIS A 111 12.896 2.325 2.802 1.00 41.21 O ATOM 1327 CB HIS A 111 14.051 3.843 -0.061 1.00 51.45 C ATOM 1328 CG HIS A 111 13.485 4.796 -1.068 1.00 14.22 C ATOM 1329 ND1 HIS A 111 12.427 4.478 -1.894 1.00 23.04 N ATOM 1330 CD2 HIS A 111 13.834 6.067 -1.379 1.00 14.13 C ATOM 1331 CE1 HIS A 111 12.151 5.511 -2.670 1.00 61.31 C ATOM 1332 NE2 HIS A 111 12.990 6.488 -2.377 1.00 14.11 N ATOM 0 H HIS A 111 15.643 4.063 1.806 1.00 51.31 H new ATOM 0 HA HIS A 111 13.071 5.080 1.395 1.00 30.14 H new ATOM 0 HB2 HIS A 111 15.139 3.889 -0.101 1.00 51.45 H new ATOM 0 HB3 HIS A 111 13.765 2.827 -0.333 1.00 51.45 H new ATOM 0 HD2 HIS A 111 14.628 6.642 -0.926 1.00 14.13 H new ATOM 0 HE1 HIS A 111 11.372 5.550 -3.417 1.00 61.31 H new ATOM 0 HE2 HIS A 111 13.008 7.406 -2.820 1.00 14.11 H new ATOM 1340 N ALA A 112 11.510 2.903 1.127 1.00 42.34 N ATOM 1341 CA ALA A 112 10.508 1.899 1.463 1.00 64.12 C ATOM 1342 C ALA A 112 10.066 1.129 0.223 1.00 22.20 C ATOM 1343 O ALA A 112 10.310 1.556 -0.907 1.00 30.13 O ATOM 1344 CB ALA A 112 9.310 2.552 2.136 1.00 65.12 C ATOM 0 H ALA A 112 11.274 3.481 0.321 1.00 42.34 H new ATOM 0 HA ALA A 112 10.959 1.190 2.158 1.00 64.12 H new ATOM 0 HB1 ALA A 112 8.570 1.790 2.381 1.00 65.12 H new ATOM 0 HB2 ALA A 112 9.633 3.051 3.050 1.00 65.12 H new ATOM 0 HB3 ALA A 112 8.867 3.284 1.460 1.00 65.12 H new ATOM 1350 N LEU A 113 9.415 -0.008 0.440 1.00 70.52 N ATOM 1351 CA LEU A 113 8.938 -0.839 -0.662 1.00 21.44 C ATOM 1352 C LEU A 113 7.427 -1.028 -0.586 1.00 74.21 C ATOM 1353 O LEU A 113 6.901 -1.527 0.410 1.00 45.23 O ATOM 1354 CB LEU A 113 9.636 -2.201 -0.638 1.00 15.35 C ATOM 1355 CG LEU A 113 9.728 -2.884 0.728 1.00 54.22 C ATOM 1356 CD1 LEU A 113 9.370 -4.358 0.612 1.00 53.43 C ATOM 1357 CD2 LEU A 113 11.121 -2.717 1.315 1.00 11.42 C ATOM 0 H LEU A 113 9.205 -0.376 1.368 1.00 70.52 H new ATOM 0 HA LEU A 113 9.176 -0.332 -1.597 1.00 21.44 H new ATOM 0 HB2 LEU A 113 9.110 -2.868 -1.321 1.00 15.35 H new ATOM 0 HB3 LEU A 113 10.646 -2.076 -1.028 1.00 15.35 H new ATOM 0 HG LEU A 113 9.013 -2.409 1.400 1.00 54.22 H new ATOM 0 HD11 LEU A 113 9.441 -4.828 1.593 1.00 53.43 H new ATOM 0 HD12 LEU A 113 8.352 -4.457 0.235 1.00 53.43 H new ATOM 0 HD13 LEU A 113 10.060 -4.847 -0.075 1.00 53.43 H new ATOM 0 HD21 LEU A 113 11.168 -3.209 2.286 1.00 11.42 H new ATOM 0 HD22 LEU A 113 11.854 -3.166 0.645 1.00 11.42 H new ATOM 0 HD23 LEU A 113 11.341 -1.656 1.435 1.00 11.42 H new ATOM 1369 N SER A 114 6.732 -0.628 -1.646 1.00 42.20 N ATOM 1370 CA SER A 114 5.281 -0.751 -1.700 1.00 54.41 C ATOM 1371 C SER A 114 4.858 -1.729 -2.793 1.00 21.35 C ATOM 1372 O SER A 114 5.391 -1.707 -3.901 1.00 4.33 O ATOM 1373 CB SER A 114 4.640 0.616 -1.950 1.00 23.03 C ATOM 1374 OG SER A 114 4.214 0.742 -3.295 1.00 74.03 O ATOM 0 H SER A 114 7.151 -0.216 -2.479 1.00 42.20 H new ATOM 0 HA SER A 114 4.939 -1.135 -0.739 1.00 54.41 H new ATOM 0 HB2 SER A 114 3.789 0.750 -1.282 1.00 23.03 H new ATOM 0 HB3 SER A 114 5.355 1.405 -1.717 1.00 23.03 H new ATOM 0 HG SER A 114 3.807 1.623 -3.428 1.00 74.03 H new ATOM 1380 N MET A 115 3.897 -2.589 -2.469 1.00 13.14 N ATOM 1381 CA MET A 115 3.403 -3.575 -3.422 1.00 73.30 C ATOM 1382 C MET A 115 1.893 -3.750 -3.289 1.00 31.01 C ATOM 1383 O MET A 115 1.393 -4.134 -2.230 1.00 42.24 O ATOM 1384 CB MET A 115 4.104 -4.918 -3.209 1.00 44.03 C ATOM 1385 CG MET A 115 5.469 -4.793 -2.554 1.00 10.15 C ATOM 1386 SD MET A 115 6.488 -6.262 -2.785 1.00 2.45 S ATOM 1387 CE MET A 115 7.090 -5.998 -4.451 1.00 20.44 C ATOM 0 H MET A 115 3.446 -2.622 -1.555 1.00 13.14 H new ATOM 0 HA MET A 115 3.623 -3.214 -4.427 1.00 73.30 H new ATOM 0 HB2 MET A 115 3.471 -5.555 -2.592 1.00 44.03 H new ATOM 0 HB3 MET A 115 4.216 -5.417 -4.172 1.00 44.03 H new ATOM 0 HG2 MET A 115 5.988 -3.927 -2.966 1.00 10.15 H new ATOM 0 HG3 MET A 115 5.340 -4.609 -1.487 1.00 10.15 H new ATOM 0 HE1 MET A 115 7.159 -6.955 -4.969 1.00 20.44 H new ATOM 0 HE2 MET A 115 6.402 -5.344 -4.987 1.00 20.44 H new ATOM 0 HE3 MET A 115 8.076 -5.534 -4.412 1.00 20.44 H new ATOM 1397 N THR A 116 1.170 -3.467 -4.368 1.00 1.43 N ATOM 1398 CA THR A 116 -0.282 -3.591 -4.371 1.00 21.41 C ATOM 1399 C THR A 116 -0.749 -4.545 -5.464 1.00 12.24 C ATOM 1400 O THR A 116 -0.448 -4.352 -6.642 1.00 63.21 O ATOM 1401 CB THR A 116 -0.962 -2.225 -4.572 1.00 51.23 C ATOM 1402 OG1 THR A 116 -1.120 -1.957 -5.970 1.00 13.11 O ATOM 1403 CG2 THR A 116 -0.148 -1.114 -3.926 1.00 32.20 C ATOM 0 H THR A 116 1.567 -3.150 -5.252 1.00 1.43 H new ATOM 0 HA THR A 116 -0.568 -3.990 -3.398 1.00 21.41 H new ATOM 0 HB THR A 116 -1.942 -2.259 -4.096 1.00 51.23 H new ATOM 0 HG1 THR A 116 -0.872 -1.027 -6.155 1.00 13.11 H new ATOM 0 HG21 THR A 116 -0.649 -0.158 -4.082 1.00 32.20 H new ATOM 0 HG22 THR A 116 -0.055 -1.305 -2.857 1.00 32.20 H new ATOM 0 HG23 THR A 116 0.844 -1.081 -4.376 1.00 32.20 H new ATOM 1411 N THR A 117 -1.488 -5.577 -5.067 1.00 11.32 N ATOM 1412 CA THR A 117 -1.998 -6.561 -6.013 1.00 2.52 C ATOM 1413 C THR A 117 -3.521 -6.624 -5.974 1.00 62.52 C ATOM 1414 O THR A 117 -4.110 -7.030 -4.973 1.00 35.34 O ATOM 1415 CB THR A 117 -1.429 -7.963 -5.725 1.00 60.23 C ATOM 1416 OG1 THR A 117 -2.135 -8.944 -6.492 1.00 64.42 O ATOM 1417 CG2 THR A 117 -1.536 -8.297 -4.244 1.00 44.34 C ATOM 0 H THR A 117 -1.746 -5.752 -4.096 1.00 11.32 H new ATOM 0 HA THR A 117 -1.676 -6.243 -7.005 1.00 2.52 H new ATOM 0 HB THR A 117 -0.376 -7.969 -6.007 1.00 60.23 H new ATOM 0 HG1 THR A 117 -1.767 -9.833 -6.305 1.00 64.42 H new ATOM 0 HG21 THR A 117 -1.128 -9.292 -4.065 1.00 44.34 H new ATOM 0 HG22 THR A 117 -0.974 -7.565 -3.664 1.00 44.34 H new ATOM 0 HG23 THR A 117 -2.583 -8.274 -3.941 1.00 44.34 H new ATOM 1425 N LYS A 118 -4.153 -6.222 -7.070 1.00 43.15 N ATOM 1426 CA LYS A 118 -5.608 -6.235 -7.164 1.00 30.05 C ATOM 1427 C LYS A 118 -6.062 -6.760 -8.522 1.00 31.04 C ATOM 1428 O LYS A 118 -5.419 -6.512 -9.542 1.00 63.15 O ATOM 1429 CB LYS A 118 -6.166 -4.827 -6.937 1.00 32.52 C ATOM 1430 CG LYS A 118 -7.684 -4.764 -6.968 1.00 50.45 C ATOM 1431 CD LYS A 118 -8.183 -3.955 -8.153 1.00 63.15 C ATOM 1432 CE LYS A 118 -9.595 -4.360 -8.550 1.00 25.31 C ATOM 1433 NZ LYS A 118 -10.622 -3.499 -7.901 1.00 0.31 N ATOM 0 H LYS A 118 -3.680 -5.882 -7.907 1.00 43.15 H new ATOM 0 HA LYS A 118 -5.991 -6.901 -6.391 1.00 30.05 H new ATOM 0 HB2 LYS A 118 -5.815 -4.456 -5.974 1.00 32.52 H new ATOM 0 HB3 LYS A 118 -5.767 -4.159 -7.700 1.00 32.52 H new ATOM 0 HG2 LYS A 118 -8.090 -5.774 -7.019 1.00 50.45 H new ATOM 0 HG3 LYS A 118 -8.050 -4.319 -6.042 1.00 50.45 H new ATOM 0 HD2 LYS A 118 -8.164 -2.894 -7.904 1.00 63.15 H new ATOM 0 HD3 LYS A 118 -7.511 -4.096 -9.000 1.00 63.15 H new ATOM 0 HE2 LYS A 118 -9.700 -4.297 -9.633 1.00 25.31 H new ATOM 0 HE3 LYS A 118 -9.766 -5.400 -8.273 1.00 25.31 H new ATOM 0 HZ1 LYS A 118 -11.570 -3.807 -8.197 1.00 0.31 H new ATOM 0 HZ2 LYS A 118 -10.539 -3.579 -6.867 1.00 0.31 H new ATOM 0 HZ3 LYS A 118 -10.475 -2.509 -8.185 1.00 0.31 H new ATOM 1447 N THR A 119 -7.176 -7.487 -8.529 1.00 3.12 N ATOM 1448 CA THR A 119 -7.715 -8.047 -9.761 1.00 3.33 C ATOM 1449 C THR A 119 -7.895 -6.967 -10.823 1.00 22.11 C ATOM 1450 O THR A 119 -7.973 -5.775 -10.524 1.00 30.32 O ATOM 1451 CB THR A 119 -9.068 -8.740 -9.518 1.00 33.44 C ATOM 1452 OG1 THR A 119 -9.801 -8.043 -8.503 1.00 24.51 O ATOM 1453 CG2 THR A 119 -8.867 -10.188 -9.099 1.00 23.45 C ATOM 0 H THR A 119 -7.722 -7.701 -7.694 1.00 3.12 H new ATOM 0 HA THR A 119 -6.995 -8.785 -10.114 1.00 3.33 H new ATOM 0 HB THR A 119 -9.632 -8.722 -10.451 1.00 33.44 H new ATOM 0 HG1 THR A 119 -10.661 -8.489 -8.356 1.00 24.51 H new ATOM 0 HG21 THR A 119 -9.837 -10.657 -8.933 1.00 23.45 H new ATOM 0 HG22 THR A 119 -8.335 -10.724 -9.885 1.00 23.45 H new ATOM 0 HG23 THR A 119 -8.285 -10.223 -8.178 1.00 23.45 H new ATOM 1461 N PRO A 120 -7.961 -7.392 -12.093 1.00 43.13 N ATOM 1462 CA PRO A 120 -8.133 -6.477 -13.226 1.00 33.30 C ATOM 1463 C PRO A 120 -9.523 -5.851 -13.259 1.00 11.31 C ATOM 1464 O PRO A 120 -10.313 -6.020 -12.330 1.00 11.31 O ATOM 1465 CB PRO A 120 -7.924 -7.378 -14.445 1.00 60.11 C ATOM 1466 CG PRO A 120 -8.276 -8.745 -13.970 1.00 61.33 C ATOM 1467 CD PRO A 120 -7.875 -8.797 -12.522 1.00 63.43 C ATOM 0 HA PRO A 120 -7.443 -5.635 -13.178 1.00 33.30 H new ATOM 0 HB2 PRO A 120 -8.559 -7.072 -15.277 1.00 60.11 H new ATOM 0 HB3 PRO A 120 -6.893 -7.334 -14.798 1.00 60.11 H new ATOM 0 HG2 PRO A 120 -9.343 -8.936 -14.086 1.00 61.33 H new ATOM 0 HG3 PRO A 120 -7.751 -9.506 -14.548 1.00 61.33 H new ATOM 0 HD2 PRO A 120 -8.542 -9.435 -11.943 1.00 63.43 H new ATOM 0 HD3 PRO A 120 -6.867 -9.194 -12.398 1.00 63.43 H new ATOM 1475 N ALA A 121 -9.815 -5.127 -14.335 1.00 14.52 N ATOM 1476 CA ALA A 121 -11.111 -4.477 -14.489 1.00 54.04 C ATOM 1477 C ALA A 121 -11.983 -5.224 -15.492 1.00 42.10 C ATOM 1478 O ALA A 121 -12.997 -4.703 -15.956 1.00 3.35 O ATOM 1479 CB ALA A 121 -10.927 -3.029 -14.921 1.00 73.44 C ATOM 0 H ALA A 121 -9.172 -4.976 -15.112 1.00 14.52 H new ATOM 0 HA ALA A 121 -11.617 -4.495 -13.524 1.00 54.04 H new ATOM 0 HB1 ALA A 121 -11.903 -2.556 -15.032 1.00 73.44 H new ATOM 0 HB2 ALA A 121 -10.348 -2.495 -14.167 1.00 73.44 H new ATOM 0 HB3 ALA A 121 -10.398 -2.998 -15.873 1.00 73.44 H new