USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 710 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 339 ASN : amide:sc= 0.948 K(o=0.97,f=-0.37) USER MOD Set 1.2: A 384 HIS : no HE2:sc= -0.254 K(o=0.97,f=-2.2!) USER MOD Set 1.3: B 149 THR OG1 : rot 93:sc= 0.28 USER MOD Set 2.1: A 347 SER OG : rot 113:sc= 2.09 USER MOD Set 2.2: A 370 LYS NZ :NH3+ 162:sc= 1.38 (180deg=-0.824!) USER MOD Set 3.1: A 341 HIS : no HD1:sc= -0.137 K(o=-0.17,f=-0.81) USER MOD Set 3.2: A 351 THR OG1 : rot -110:sc= -0.0288 USER MOD Single : A 318 MET CE :methyl -156:sc= 0 (180deg=-0.184) USER MOD Single : A 321 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0191) USER MOD Single : A 324 LYS NZ :NH3+ -173:sc= 1.27 (180deg=1.15) USER MOD Single : A 327 LYS NZ :NH3+ 168:sc= 1.71 (180deg=1.36) USER MOD Single : A 332 SER OG : rot -129:sc= 0.357 USER MOD Single : A 340 GLN : amide:sc= 0.885 K(o=0.89,f=-7.8!) USER MOD Single : A 346 ASN : amide:sc= -2.46! C(o=-2.5!,f=-5.4!) USER MOD Single : A 349 TYR OH : rot 45:sc= 0.393 USER MOD Single : A 352 LYS NZ :NH3+ 157:sc= 1.4 (180deg=0.533) USER MOD Single : A 360 HIS : no HD1:sc= -0.809 K(o=-0.81,f=-0.053) USER MOD Single : A 361 LYS NZ :NH3+ -161:sc= -2.29! (180deg=-3.26!) USER MOD Single : A 364 LYS NZ :NH3+ -163:sc= 0.535 (180deg=-0.202!) USER MOD Single : A 366 GLN : amide:sc= -2.81! K(o=-2.8!,f=-0.062) USER MOD Single : A 375 ASN : amide:sc= -0.848 K(o=-0.85,f=-2.8!) USER MOD Single : A 376 ASN : amide:sc= -0.0141 K(o=-0.014,f=-0.83) USER MOD Single : A 378 CYS SG : rot 180:sc= 0.0944 USER MOD Single : A 383 THR OG1 : rot 81:sc= 0.656 USER MOD Single : A 389 THR OG1 : rot 86:sc= 1.22 USER MOD Single : A 392 LYS NZ :NH3+ 172:sc= 0.605 (180deg=0.534) USER MOD Single : A 393 ASN : amide:sc= 1.08 K(o=1.1,f=-0.0056) USER MOD Single : A 394 THR OG1 : rot -75:sc= 1.15 USER MOD Single : A 395 SER OG : rot 35:sc= 0.125 USER MOD Single : A 399 TYR OH : rot 180:sc= -0.527 USER MOD Single : A 401 LYS NZ :NH3+ 141:sc= 1.03 (180deg=0.779) USER MOD Single : A 404 LYS NZ :NH3+ -159:sc= 0.955 (180deg=0.413) USER MOD Single : B 147 ASN : amide:sc= -2.79! K(o=-2.8!,f=-0.31) USER MOD Single : B 150 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 318 1.248 0.395 0.214 1.00 42.00 N ATOM 2 CA MET A 318 2.216 1.086 -0.620 1.00 20.34 C ATOM 3 C MET A 318 3.398 0.182 -0.760 1.00 20.21 C ATOM 4 O MET A 318 4.132 -0.044 0.178 1.00 1.40 O ATOM 5 CB MET A 318 2.615 2.438 -0.013 1.00 11.22 C ATOM 6 CG MET A 318 3.653 3.206 -0.825 1.00 61.20 C ATOM 7 SD MET A 318 4.070 4.796 -0.080 1.00 63.34 S ATOM 8 CE MET A 318 5.307 5.395 -1.239 1.00 11.30 C ATOM 0 HA MET A 318 1.787 1.309 -1.597 1.00 20.34 H new ATOM 0 HB2 MET A 318 1.722 3.055 0.091 1.00 11.22 H new ATOM 0 HB3 MET A 318 3.006 2.272 0.991 1.00 11.22 H new ATOM 0 HG2 MET A 318 4.556 2.603 -0.918 1.00 61.20 H new ATOM 0 HG3 MET A 318 3.273 3.369 -1.834 1.00 61.20 H new ATOM 0 HE1 MET A 318 5.956 6.114 -0.739 1.00 11.30 H new ATOM 0 HE2 MET A 318 5.904 4.557 -1.599 1.00 11.30 H new ATOM 0 HE3 MET A 318 4.812 5.877 -2.082 1.00 11.30 H new ATOM 20 N GLU A 319 3.509 -0.397 -1.880 1.00 42.30 N ATOM 21 CA GLU A 319 4.514 -1.341 -2.149 1.00 63.01 C ATOM 22 C GLU A 319 5.477 -0.908 -3.215 1.00 61.24 C ATOM 23 O GLU A 319 5.111 -0.302 -4.224 1.00 72.30 O ATOM 24 CB GLU A 319 3.969 -2.781 -2.254 1.00 14.44 C ATOM 25 CG GLU A 319 2.545 -2.907 -2.810 1.00 74.21 C ATOM 26 CD GLU A 319 1.483 -2.557 -1.740 1.00 45.31 C ATOM 27 OE1 GLU A 319 1.253 -3.379 -0.835 1.00 42.32 O ATOM 28 OE2 GLU A 319 0.935 -1.423 -1.742 1.00 14.41 O ATOM 0 H GLU A 319 2.883 -0.224 -2.666 1.00 42.30 H new ATOM 0 HA GLU A 319 5.154 -1.382 -1.268 1.00 63.01 H new ATOM 0 HB2 GLU A 319 4.641 -3.360 -2.888 1.00 14.44 H new ATOM 0 HB3 GLU A 319 3.995 -3.234 -1.263 1.00 14.44 H new ATOM 0 HG2 GLU A 319 2.429 -2.246 -3.669 1.00 74.21 H new ATOM 0 HG3 GLU A 319 2.382 -3.924 -3.167 1.00 74.21 H new ATOM 35 N ILE A 320 6.706 -1.177 -2.930 1.00 41.45 N ATOM 36 CA ILE A 320 7.844 -0.695 -3.653 1.00 23.41 C ATOM 37 C ILE A 320 8.717 -1.876 -3.997 1.00 30.22 C ATOM 38 O ILE A 320 9.019 -2.688 -3.145 1.00 61.23 O ATOM 39 CB ILE A 320 8.630 0.262 -2.716 1.00 63.22 C ATOM 40 CG1 ILE A 320 7.691 1.389 -2.238 1.00 21.01 C ATOM 41 CG2 ILE A 320 9.852 0.834 -3.425 1.00 22.13 C ATOM 42 CD1 ILE A 320 8.241 2.260 -1.138 1.00 51.32 C ATOM 0 H ILE A 320 6.963 -1.772 -2.143 1.00 41.45 H new ATOM 0 HA ILE A 320 7.544 -0.175 -4.563 1.00 23.41 H new ATOM 0 HB ILE A 320 8.987 -0.296 -1.851 1.00 63.22 H new ATOM 0 HG12 ILE A 320 7.445 2.021 -3.091 1.00 21.01 H new ATOM 0 HG13 ILE A 320 6.759 0.942 -1.893 1.00 21.01 H new ATOM 0 HG21 ILE A 320 10.386 1.501 -2.748 1.00 22.13 H new ATOM 0 HG22 ILE A 320 10.511 0.020 -3.728 1.00 22.13 H new ATOM 0 HG23 ILE A 320 9.534 1.390 -4.307 1.00 22.13 H new ATOM 0 HD11 ILE A 320 7.506 3.020 -0.874 1.00 51.32 H new ATOM 0 HD12 ILE A 320 8.459 1.647 -0.263 1.00 51.32 H new ATOM 0 HD13 ILE A 320 9.156 2.744 -1.480 1.00 51.32 H new ATOM 54 N LYS A 321 9.106 -1.985 -5.219 1.00 60.41 N ATOM 55 CA LYS A 321 9.905 -3.077 -5.620 1.00 31.33 C ATOM 56 C LYS A 321 11.307 -2.572 -5.877 1.00 73.13 C ATOM 57 O LYS A 321 11.561 -1.924 -6.882 1.00 65.25 O ATOM 58 CB LYS A 321 9.279 -3.744 -6.847 1.00 23.31 C ATOM 59 CG LYS A 321 9.785 -5.160 -7.141 1.00 52.02 C ATOM 60 CD LYS A 321 11.237 -5.215 -7.607 1.00 14.03 C ATOM 61 CE LYS A 321 11.455 -4.432 -8.894 1.00 71.00 C ATOM 62 NZ LYS A 321 10.748 -5.023 -10.054 1.00 31.13 N ATOM 0 H LYS A 321 8.879 -1.322 -5.960 1.00 60.41 H new ATOM 0 HA LYS A 321 9.959 -3.838 -4.841 1.00 31.33 H new ATOM 0 HB2 LYS A 321 8.198 -3.781 -6.710 1.00 23.31 H new ATOM 0 HB3 LYS A 321 9.469 -3.118 -7.719 1.00 23.31 H new ATOM 0 HG2 LYS A 321 9.679 -5.767 -6.242 1.00 52.02 H new ATOM 0 HG3 LYS A 321 9.151 -5.610 -7.905 1.00 52.02 H new ATOM 0 HD2 LYS A 321 11.883 -4.815 -6.826 1.00 14.03 H new ATOM 0 HD3 LYS A 321 11.529 -6.254 -7.761 1.00 14.03 H new ATOM 0 HE2 LYS A 321 11.115 -3.406 -8.752 1.00 71.00 H new ATOM 0 HE3 LYS A 321 12.522 -4.387 -9.110 1.00 71.00 H new ATOM 0 HZ1 LYS A 321 10.986 -4.489 -10.914 1.00 31.13 H new ATOM 0 HZ2 LYS A 321 11.039 -6.015 -10.170 1.00 31.13 H new ATOM 0 HZ3 LYS A 321 9.721 -4.980 -9.893 1.00 31.13 H new ATOM 76 N LEU A 322 12.192 -2.913 -4.990 1.00 11.34 N ATOM 77 CA LEU A 322 13.559 -2.464 -5.030 1.00 51.44 C ATOM 78 C LEU A 322 14.455 -3.582 -5.476 1.00 20.34 C ATOM 79 O LEU A 322 14.071 -4.748 -5.470 1.00 21.03 O ATOM 80 CB LEU A 322 14.016 -2.037 -3.627 1.00 72.41 C ATOM 81 CG LEU A 322 13.331 -0.840 -3.005 1.00 74.44 C ATOM 82 CD1 LEU A 322 13.758 -0.690 -1.555 1.00 40.21 C ATOM 83 CD2 LEU A 322 13.687 0.402 -3.775 1.00 52.02 C ATOM 0 H LEU A 322 11.984 -3.524 -4.200 1.00 11.34 H new ATOM 0 HA LEU A 322 13.618 -1.625 -5.723 1.00 51.44 H new ATOM 0 HB2 LEU A 322 13.884 -2.886 -2.957 1.00 72.41 H new ATOM 0 HB3 LEU A 322 15.085 -1.828 -3.670 1.00 72.41 H new ATOM 0 HG LEU A 322 12.252 -0.988 -3.040 1.00 74.44 H new ATOM 0 HD11 LEU A 322 13.259 0.174 -1.116 1.00 40.21 H new ATOM 0 HD12 LEU A 322 13.484 -1.587 -1.000 1.00 40.21 H new ATOM 0 HD13 LEU A 322 14.838 -0.549 -1.506 1.00 40.21 H new ATOM 0 HD21 LEU A 322 13.193 1.263 -3.325 1.00 52.02 H new ATOM 0 HD22 LEU A 322 14.767 0.549 -3.749 1.00 52.02 H new ATOM 0 HD23 LEU A 322 13.360 0.295 -4.809 1.00 52.02 H new ATOM 95 N ILE A 323 15.599 -3.220 -5.929 1.00 61.22 N ATOM 96 CA ILE A 323 16.646 -4.150 -6.239 1.00 54.50 C ATOM 97 C ILE A 323 17.712 -4.044 -5.154 1.00 13.13 C ATOM 98 O ILE A 323 18.312 -2.981 -4.981 1.00 72.54 O ATOM 99 CB ILE A 323 17.282 -3.930 -7.678 1.00 34.32 C ATOM 100 CG1 ILE A 323 16.289 -4.233 -8.840 1.00 52.44 C ATOM 101 CG2 ILE A 323 18.557 -4.750 -7.863 1.00 34.51 C ATOM 102 CD1 ILE A 323 15.081 -3.326 -8.952 1.00 14.33 C ATOM 0 H ILE A 323 15.849 -2.246 -6.102 1.00 61.22 H new ATOM 0 HA ILE A 323 16.214 -5.151 -6.265 1.00 54.50 H new ATOM 0 HB ILE A 323 17.529 -2.869 -7.726 1.00 34.32 H new ATOM 0 HG12 ILE A 323 16.839 -4.186 -9.780 1.00 52.44 H new ATOM 0 HG13 ILE A 323 15.936 -5.258 -8.728 1.00 52.44 H new ATOM 0 HG21 ILE A 323 18.962 -4.573 -8.859 1.00 34.51 H new ATOM 0 HG22 ILE A 323 19.292 -4.454 -7.114 1.00 34.51 H new ATOM 0 HG23 ILE A 323 18.328 -5.809 -7.748 1.00 34.51 H new ATOM 0 HD11 ILE A 323 14.468 -3.639 -9.797 1.00 14.33 H new ATOM 0 HD12 ILE A 323 14.494 -3.387 -8.036 1.00 14.33 H new ATOM 0 HD13 ILE A 323 15.411 -2.298 -9.103 1.00 14.33 H new ATOM 114 N LYS A 324 17.878 -5.102 -4.363 1.00 13.20 N ATOM 115 CA LYS A 324 18.946 -5.136 -3.375 1.00 14.42 C ATOM 116 C LYS A 324 20.243 -5.179 -4.133 1.00 62.01 C ATOM 117 O LYS A 324 20.372 -5.931 -5.068 1.00 64.44 O ATOM 118 CB LYS A 324 18.809 -6.365 -2.464 1.00 54.54 C ATOM 119 CG LYS A 324 19.766 -6.425 -1.261 1.00 31.33 C ATOM 120 CD LYS A 324 21.246 -6.825 -1.564 1.00 62.34 C ATOM 121 CE LYS A 324 21.398 -8.171 -2.301 1.00 70.23 C ATOM 122 NZ LYS A 324 21.624 -8.026 -3.798 1.00 10.45 N ATOM 0 H LYS A 324 17.292 -5.937 -4.388 1.00 13.20 H new ATOM 0 HA LYS A 324 18.902 -4.257 -2.731 1.00 14.42 H new ATOM 0 HB2 LYS A 324 17.786 -6.403 -2.091 1.00 54.54 H new ATOM 0 HB3 LYS A 324 18.961 -7.259 -3.069 1.00 54.54 H new ATOM 0 HG2 LYS A 324 19.769 -5.447 -0.779 1.00 31.33 H new ATOM 0 HG3 LYS A 324 19.362 -7.135 -0.539 1.00 31.33 H new ATOM 0 HD2 LYS A 324 21.707 -6.041 -2.164 1.00 62.34 H new ATOM 0 HD3 LYS A 324 21.797 -6.873 -0.625 1.00 62.34 H new ATOM 0 HE2 LYS A 324 22.234 -8.720 -1.868 1.00 70.23 H new ATOM 0 HE3 LYS A 324 20.503 -8.770 -2.134 1.00 70.23 H new ATOM 0 HZ1 LYS A 324 21.599 -8.965 -4.245 1.00 10.45 H new ATOM 0 HZ2 LYS A 324 20.877 -7.428 -4.206 1.00 10.45 H new ATOM 0 HZ3 LYS A 324 22.551 -7.586 -3.968 1.00 10.45 H new ATOM 136 N GLY A 325 21.200 -4.492 -3.658 1.00 42.32 N ATOM 137 CA GLY A 325 22.435 -4.314 -4.383 1.00 73.23 C ATOM 138 C GLY A 325 23.644 -4.325 -3.477 1.00 45.51 C ATOM 139 O GLY A 325 23.557 -4.787 -2.350 1.00 23.25 O ATOM 0 H GLY A 325 21.172 -4.025 -2.752 1.00 42.32 H new ATOM 0 HA2 GLY A 325 22.534 -5.106 -5.126 1.00 73.23 H new ATOM 0 HA3 GLY A 325 22.401 -3.370 -4.927 1.00 73.23 H new ATOM 143 N PRO A 326 24.786 -3.798 -3.945 1.00 5.53 N ATOM 144 CA PRO A 326 26.059 -3.758 -3.172 1.00 23.30 C ATOM 145 C PRO A 326 25.993 -2.856 -1.927 1.00 4.33 C ATOM 146 O PRO A 326 26.870 -2.889 -1.085 1.00 24.03 O ATOM 147 CB PRO A 326 27.073 -3.181 -4.176 1.00 4.35 C ATOM 148 CG PRO A 326 26.438 -3.329 -5.517 1.00 40.14 C ATOM 149 CD PRO A 326 24.958 -3.237 -5.296 1.00 51.23 C ATOM 0 HA PRO A 326 26.311 -4.747 -2.789 1.00 23.30 H new ATOM 0 HB2 PRO A 326 27.289 -2.135 -3.958 1.00 4.35 H new ATOM 0 HB3 PRO A 326 28.020 -3.718 -4.129 1.00 4.35 H new ATOM 0 HG2 PRO A 326 26.779 -2.548 -6.197 1.00 40.14 H new ATOM 0 HG3 PRO A 326 26.705 -4.284 -5.970 1.00 40.14 H new ATOM 0 HD2 PRO A 326 24.605 -2.207 -5.353 1.00 51.23 H new ATOM 0 HD3 PRO A 326 24.403 -3.806 -6.042 1.00 51.23 H new ATOM 157 N LYS A 327 24.958 -2.049 -1.843 1.00 23.11 N ATOM 158 CA LYS A 327 24.772 -1.147 -0.712 1.00 33.13 C ATOM 159 C LYS A 327 23.592 -1.649 0.138 1.00 1.52 C ATOM 160 O LYS A 327 23.154 -1.008 1.100 1.00 71.41 O ATOM 161 CB LYS A 327 24.517 0.282 -1.248 1.00 11.42 C ATOM 162 CG LYS A 327 24.402 1.356 -0.173 1.00 10.41 C ATOM 163 CD LYS A 327 24.191 2.755 -0.757 1.00 51.24 C ATOM 164 CE LYS A 327 25.402 3.260 -1.534 1.00 54.24 C ATOM 165 NZ LYS A 327 25.142 4.584 -2.159 1.00 64.23 N ATOM 0 H LYS A 327 24.223 -1.994 -2.548 1.00 23.11 H new ATOM 0 HA LYS A 327 25.661 -1.124 -0.082 1.00 33.13 H new ATOM 0 HB2 LYS A 327 25.328 0.551 -1.925 1.00 11.42 H new ATOM 0 HB3 LYS A 327 23.599 0.276 -1.836 1.00 11.42 H new ATOM 0 HG2 LYS A 327 23.571 1.114 0.489 1.00 10.41 H new ATOM 0 HG3 LYS A 327 25.306 1.353 0.436 1.00 10.41 H new ATOM 0 HD2 LYS A 327 23.322 2.742 -1.415 1.00 51.24 H new ATOM 0 HD3 LYS A 327 23.968 3.451 0.051 1.00 51.24 H new ATOM 0 HE2 LYS A 327 26.258 3.336 -0.864 1.00 54.24 H new ATOM 0 HE3 LYS A 327 25.665 2.538 -2.307 1.00 54.24 H new ATOM 0 HZ1 LYS A 327 26.037 4.988 -2.502 1.00 64.23 H new ATOM 0 HZ2 LYS A 327 24.486 4.468 -2.957 1.00 64.23 H new ATOM 0 HZ3 LYS A 327 24.721 5.224 -1.455 1.00 64.23 H new ATOM 179 N GLY A 328 23.106 -2.799 -0.244 1.00 41.10 N ATOM 180 CA GLY A 328 21.955 -3.388 0.387 1.00 32.43 C ATOM 181 C GLY A 328 20.720 -2.813 -0.223 1.00 15.50 C ATOM 182 O GLY A 328 20.522 -2.908 -1.446 1.00 63.54 O ATOM 0 H GLY A 328 23.498 -3.356 -1.004 1.00 41.10 H new ATOM 0 HA2 GLY A 328 21.969 -4.471 0.260 1.00 32.43 H new ATOM 0 HA3 GLY A 328 21.972 -3.192 1.459 1.00 32.43 H new ATOM 186 N LEU A 329 19.913 -2.212 0.591 1.00 73.25 N ATOM 187 CA LEU A 329 18.732 -1.502 0.138 1.00 2.22 C ATOM 188 C LEU A 329 19.005 -0.015 0.268 1.00 44.22 C ATOM 189 O LEU A 329 18.440 0.843 -0.472 1.00 75.02 O ATOM 190 CB LEU A 329 17.479 -1.901 0.937 1.00 24.41 C ATOM 191 CG LEU A 329 16.883 -3.306 0.682 1.00 3.13 C ATOM 192 CD1 LEU A 329 17.810 -4.426 1.112 1.00 4.13 C ATOM 193 CD2 LEU A 329 15.539 -3.447 1.361 1.00 75.22 C ATOM 0 H LEU A 329 20.045 -2.193 1.602 1.00 73.25 H new ATOM 0 HA LEU A 329 18.528 -1.764 -0.900 1.00 2.22 H new ATOM 0 HB2 LEU A 329 17.719 -1.825 1.998 1.00 24.41 H new ATOM 0 HB3 LEU A 329 16.702 -1.164 0.733 1.00 24.41 H new ATOM 0 HG LEU A 329 16.753 -3.397 -0.396 1.00 3.13 H new ATOM 0 HD11 LEU A 329 17.338 -5.387 0.909 1.00 4.13 H new ATOM 0 HD12 LEU A 329 18.746 -4.357 0.558 1.00 4.13 H new ATOM 0 HD13 LEU A 329 18.013 -4.340 2.179 1.00 4.13 H new ATOM 0 HD21 LEU A 329 15.137 -4.442 1.169 1.00 75.22 H new ATOM 0 HD22 LEU A 329 15.657 -3.304 2.435 1.00 75.22 H new ATOM 0 HD23 LEU A 329 14.853 -2.697 0.969 1.00 75.22 H new ATOM 205 N GLY A 330 19.896 0.282 1.196 1.00 63.11 N ATOM 206 CA GLY A 330 20.378 1.619 1.392 1.00 31.44 C ATOM 207 C GLY A 330 19.518 2.473 2.289 1.00 11.42 C ATOM 208 O GLY A 330 19.252 3.626 1.970 1.00 41.11 O ATOM 0 H GLY A 330 20.301 -0.405 1.832 1.00 63.11 H new ATOM 0 HA2 GLY A 330 21.382 1.571 1.813 1.00 31.44 H new ATOM 0 HA3 GLY A 330 20.462 2.106 0.421 1.00 31.44 H new ATOM 212 N PHE A 331 19.068 1.921 3.378 1.00 70.22 N ATOM 213 CA PHE A 331 18.336 2.680 4.381 1.00 51.34 C ATOM 214 C PHE A 331 18.462 2.020 5.731 1.00 52.34 C ATOM 215 O PHE A 331 18.641 0.806 5.822 1.00 51.12 O ATOM 216 CB PHE A 331 16.856 2.921 3.990 1.00 72.11 C ATOM 217 CG PHE A 331 16.013 1.697 3.801 1.00 23.43 C ATOM 218 CD1 PHE A 331 15.368 1.122 4.869 1.00 51.30 C ATOM 219 CD2 PHE A 331 15.845 1.143 2.554 1.00 4.22 C ATOM 220 CE1 PHE A 331 14.577 0.013 4.701 1.00 42.35 C ATOM 221 CE2 PHE A 331 15.050 0.038 2.377 1.00 12.12 C ATOM 222 CZ PHE A 331 14.417 -0.529 3.453 1.00 33.35 C ATOM 0 H PHE A 331 19.192 0.935 3.607 1.00 70.22 H new ATOM 0 HA PHE A 331 18.790 3.669 4.438 1.00 51.34 H new ATOM 0 HB2 PHE A 331 16.395 3.539 4.760 1.00 72.11 H new ATOM 0 HB3 PHE A 331 16.836 3.497 3.065 1.00 72.11 H new ATOM 0 HD1 PHE A 331 15.485 1.548 5.854 1.00 51.30 H new ATOM 0 HD2 PHE A 331 16.345 1.583 1.703 1.00 4.22 H new ATOM 0 HE1 PHE A 331 14.081 -0.432 5.551 1.00 42.35 H new ATOM 0 HE2 PHE A 331 14.923 -0.384 1.391 1.00 12.12 H new ATOM 0 HZ PHE A 331 13.794 -1.401 3.317 1.00 33.35 H new ATOM 232 N SER A 332 18.391 2.815 6.743 1.00 52.32 N ATOM 233 CA SER A 332 18.492 2.394 8.097 1.00 61.50 C ATOM 234 C SER A 332 17.125 2.443 8.747 1.00 25.22 C ATOM 235 O SER A 332 16.408 3.453 8.655 1.00 42.21 O ATOM 236 CB SER A 332 19.449 3.313 8.823 1.00 74.44 C ATOM 237 OG SER A 332 20.703 3.344 8.168 1.00 5.32 O ATOM 0 H SER A 332 18.255 3.821 6.644 1.00 52.32 H new ATOM 0 HA SER A 332 18.865 1.371 8.144 1.00 61.50 H new ATOM 0 HB2 SER A 332 19.032 4.319 8.869 1.00 74.44 H new ATOM 0 HB3 SER A 332 19.578 2.974 9.851 1.00 74.44 H new ATOM 0 HG SER A 332 21.416 3.170 8.818 1.00 5.32 H new ATOM 243 N ILE A 333 16.761 1.371 9.373 1.00 61.21 N ATOM 244 CA ILE A 333 15.483 1.249 10.033 1.00 63.32 C ATOM 245 C ILE A 333 15.665 1.121 11.530 1.00 51.43 C ATOM 246 O ILE A 333 16.735 0.750 11.989 1.00 3.14 O ATOM 247 CB ILE A 333 14.685 0.026 9.498 1.00 62.02 C ATOM 248 CG1 ILE A 333 15.585 -1.234 9.461 1.00 62.24 C ATOM 249 CG2 ILE A 333 14.111 0.332 8.135 1.00 55.02 C ATOM 250 CD1 ILE A 333 14.869 -2.506 9.068 1.00 74.25 C ATOM 0 H ILE A 333 17.345 0.538 9.447 1.00 61.21 H new ATOM 0 HA ILE A 333 14.916 2.154 9.817 1.00 63.32 H new ATOM 0 HB ILE A 333 13.855 -0.178 10.175 1.00 62.02 H new ATOM 0 HG12 ILE A 333 16.402 -1.061 8.760 1.00 62.24 H new ATOM 0 HG13 ILE A 333 16.033 -1.374 10.445 1.00 62.24 H new ATOM 0 HG21 ILE A 333 13.555 -0.532 7.772 1.00 55.02 H new ATOM 0 HG22 ILE A 333 13.442 1.190 8.206 1.00 55.02 H new ATOM 0 HG23 ILE A 333 14.921 0.560 7.442 1.00 55.02 H new ATOM 0 HD11 ILE A 333 15.575 -3.336 9.068 1.00 74.25 H new ATOM 0 HD12 ILE A 333 14.070 -2.709 9.781 1.00 74.25 H new ATOM 0 HD13 ILE A 333 14.445 -2.391 8.071 1.00 74.25 H new ATOM 262 N ALA A 334 14.638 1.475 12.256 1.00 61.31 N ATOM 263 CA ALA A 334 14.553 1.339 13.695 1.00 43.12 C ATOM 264 C ALA A 334 13.128 0.981 13.990 1.00 4.01 C ATOM 265 O ALA A 334 12.198 1.591 13.452 1.00 53.42 O ATOM 266 CB ALA A 334 14.925 2.645 14.388 1.00 4.21 C ATOM 0 H ALA A 334 13.798 1.885 11.847 1.00 61.31 H new ATOM 0 HA ALA A 334 15.244 0.580 14.060 1.00 43.12 H new ATOM 0 HB1 ALA A 334 14.853 2.517 15.468 1.00 4.21 H new ATOM 0 HB2 ALA A 334 15.946 2.920 14.122 1.00 4.21 H new ATOM 0 HB3 ALA A 334 14.242 3.433 14.070 1.00 4.21 H new ATOM 272 N GLY A 335 12.956 -0.023 14.749 1.00 45.22 N ATOM 273 CA GLY A 335 11.655 -0.499 15.076 1.00 42.01 C ATOM 274 C GLY A 335 11.719 -1.965 15.302 1.00 54.45 C ATOM 275 O GLY A 335 12.630 -2.627 14.796 1.00 24.44 O ATOM 0 H GLY A 335 13.717 -0.553 15.173 1.00 45.22 H new ATOM 0 HA2 GLY A 335 11.284 0.004 15.969 1.00 42.01 H new ATOM 0 HA3 GLY A 335 10.958 -0.273 14.270 1.00 42.01 H new ATOM 279 N GLY A 336 10.832 -2.458 16.087 1.00 62.02 N ATOM 280 CA GLY A 336 10.814 -3.833 16.456 1.00 55.21 C ATOM 281 C GLY A 336 10.607 -3.874 17.925 1.00 42.04 C ATOM 282 O GLY A 336 10.636 -2.811 18.528 1.00 23.41 O ATOM 0 H GLY A 336 10.080 -1.908 16.502 1.00 62.02 H new ATOM 0 HA2 GLY A 336 10.015 -4.363 15.937 1.00 55.21 H new ATOM 0 HA3 GLY A 336 11.750 -4.320 16.183 1.00 55.21 H new ATOM 286 N VAL A 337 10.413 -5.048 18.505 1.00 74.34 N ATOM 287 CA VAL A 337 10.206 -5.211 19.963 1.00 32.43 C ATOM 288 C VAL A 337 11.220 -4.389 20.777 1.00 74.31 C ATOM 289 O VAL A 337 12.415 -4.678 20.786 1.00 4.43 O ATOM 290 CB VAL A 337 10.287 -6.704 20.405 1.00 10.12 C ATOM 291 CG1 VAL A 337 10.036 -6.850 21.903 1.00 52.32 C ATOM 292 CG2 VAL A 337 9.303 -7.558 19.628 1.00 1.32 C ATOM 0 H VAL A 337 10.392 -5.927 17.989 1.00 74.34 H new ATOM 0 HA VAL A 337 9.201 -4.841 20.166 1.00 32.43 H new ATOM 0 HB VAL A 337 11.297 -7.053 20.188 1.00 10.12 H new ATOM 0 HG11 VAL A 337 10.099 -7.902 22.182 1.00 52.32 H new ATOM 0 HG12 VAL A 337 10.786 -6.283 22.455 1.00 52.32 H new ATOM 0 HG13 VAL A 337 9.044 -6.469 22.144 1.00 52.32 H new ATOM 0 HG21 VAL A 337 9.382 -8.594 19.957 1.00 1.32 H new ATOM 0 HG22 VAL A 337 8.290 -7.197 19.804 1.00 1.32 H new ATOM 0 HG23 VAL A 337 9.530 -7.497 18.564 1.00 1.32 H new ATOM 302 N GLY A 338 10.735 -3.305 21.367 1.00 64.00 N ATOM 303 CA GLY A 338 11.565 -2.456 22.208 1.00 63.21 C ATOM 304 C GLY A 338 12.188 -1.306 21.430 1.00 30.42 C ATOM 305 O GLY A 338 12.485 -0.242 21.978 1.00 60.32 O ATOM 0 H GLY A 338 9.768 -2.993 21.278 1.00 64.00 H new ATOM 0 HA2 GLY A 338 10.963 -2.056 23.024 1.00 63.21 H new ATOM 0 HA3 GLY A 338 12.355 -3.056 22.660 1.00 63.21 H new ATOM 309 N ASN A 339 12.320 -1.485 20.149 1.00 70.31 N ATOM 310 CA ASN A 339 12.950 -0.501 19.286 1.00 12.21 C ATOM 311 C ASN A 339 11.849 0.336 18.624 1.00 65.25 C ATOM 312 O ASN A 339 12.073 0.977 17.630 1.00 12.42 O ATOM 313 CB ASN A 339 13.802 -1.205 18.195 1.00 21.12 C ATOM 314 CG ASN A 339 14.855 -0.287 17.531 1.00 54.12 C ATOM 315 OD1 ASN A 339 14.739 0.917 17.518 1.00 10.45 O ATOM 316 ND2 ASN A 339 15.884 -0.863 16.994 1.00 64.23 N ATOM 0 H ASN A 339 11.995 -2.319 19.660 1.00 70.31 H new ATOM 0 HA ASN A 339 13.608 0.137 19.875 1.00 12.21 H new ATOM 0 HB2 ASN A 339 14.310 -2.060 18.641 1.00 21.12 H new ATOM 0 HB3 ASN A 339 13.137 -1.595 17.424 1.00 21.12 H new ATOM 0 HD21 ASN A 339 16.611 -0.300 16.552 1.00 64.23 H new ATOM 0 HD22 ASN A 339 15.967 -1.879 17.013 1.00 64.23 H new ATOM 323 N GLN A 340 10.651 0.316 19.216 1.00 11.04 N ATOM 324 CA GLN A 340 9.516 1.065 18.713 1.00 41.43 C ATOM 325 C GLN A 340 9.913 2.529 18.459 1.00 33.43 C ATOM 326 O GLN A 340 10.416 3.236 19.369 1.00 52.40 O ATOM 327 CB GLN A 340 8.313 0.920 19.679 1.00 40.40 C ATOM 328 CG GLN A 340 8.527 1.457 21.092 1.00 62.31 C ATOM 329 CD GLN A 340 7.747 2.732 21.361 1.00 14.14 C ATOM 330 OE1 GLN A 340 6.621 2.696 21.838 1.00 44.51 O ATOM 331 NE2 GLN A 340 8.309 3.854 21.015 1.00 1.44 N ATOM 0 H GLN A 340 10.450 -0.223 20.058 1.00 11.04 H new ATOM 0 HA GLN A 340 9.200 0.657 17.753 1.00 41.43 H new ATOM 0 HB2 GLN A 340 7.456 1.433 19.242 1.00 40.40 H new ATOM 0 HB3 GLN A 340 8.052 -0.136 19.748 1.00 40.40 H new ATOM 0 HG2 GLN A 340 8.231 0.696 21.814 1.00 62.31 H new ATOM 0 HG3 GLN A 340 9.589 1.647 21.247 1.00 62.31 H new ATOM 0 HE21 GLN A 340 9.249 3.853 20.620 1.00 1.44 H new ATOM 0 HE22 GLN A 340 7.809 4.734 21.139 1.00 1.44 H new ATOM 340 N HIS A 341 9.798 2.928 17.216 1.00 1.11 N ATOM 341 CA HIS A 341 10.194 4.255 16.784 1.00 33.22 C ATOM 342 C HIS A 341 9.124 5.248 17.192 1.00 62.41 C ATOM 343 O HIS A 341 9.410 6.307 17.740 1.00 73.44 O ATOM 344 CB HIS A 341 10.405 4.248 15.255 1.00 43.53 C ATOM 345 CG HIS A 341 10.960 5.522 14.656 1.00 63.12 C ATOM 346 ND1 HIS A 341 12.240 5.643 14.152 1.00 53.31 N ATOM 347 CD2 HIS A 341 10.365 6.720 14.434 1.00 3.12 C ATOM 348 CE1 HIS A 341 12.374 6.874 13.657 1.00 13.44 C ATOM 349 NE2 HIS A 341 11.265 7.568 13.801 1.00 13.32 N ATOM 0 H HIS A 341 9.426 2.342 16.469 1.00 1.11 H new ATOM 0 HA HIS A 341 11.132 4.549 17.256 1.00 33.22 H new ATOM 0 HB2 HIS A 341 11.079 3.429 15.005 1.00 43.53 H new ATOM 0 HB3 HIS A 341 9.449 4.032 14.777 1.00 43.53 H new ATOM 0 HD2 HIS A 341 9.351 6.975 14.706 1.00 3.12 H new ATOM 0 HE1 HIS A 341 13.275 7.252 13.198 1.00 13.44 H new ATOM 0 HE2 HIS A 341 11.100 8.531 13.508 1.00 13.32 H new ATOM 357 N ILE A 342 7.899 4.864 16.982 1.00 74.12 N ATOM 358 CA ILE A 342 6.777 5.698 17.336 1.00 50.04 C ATOM 359 C ILE A 342 6.156 5.141 18.621 1.00 41.23 C ATOM 360 O ILE A 342 5.996 3.932 18.745 1.00 3.23 O ATOM 361 CB ILE A 342 5.721 5.762 16.171 1.00 3.42 C ATOM 362 CG1 ILE A 342 6.314 6.452 14.921 1.00 25.02 C ATOM 363 CG2 ILE A 342 4.425 6.442 16.599 1.00 14.10 C ATOM 364 CD1 ILE A 342 6.742 7.897 15.132 1.00 44.43 C ATOM 0 H ILE A 342 7.645 3.969 16.563 1.00 74.12 H new ATOM 0 HA ILE A 342 7.116 6.721 17.503 1.00 50.04 H new ATOM 0 HB ILE A 342 5.473 4.732 15.914 1.00 3.42 H new ATOM 0 HG12 ILE A 342 7.176 5.878 14.581 1.00 25.02 H new ATOM 0 HG13 ILE A 342 5.575 6.420 14.121 1.00 25.02 H new ATOM 0 HG21 ILE A 342 3.730 6.461 15.760 1.00 14.10 H new ATOM 0 HG22 ILE A 342 3.980 5.889 17.427 1.00 14.10 H new ATOM 0 HG23 ILE A 342 4.637 7.463 16.917 1.00 14.10 H new ATOM 0 HD11 ILE A 342 7.145 8.297 14.201 1.00 44.43 H new ATOM 0 HD12 ILE A 342 5.881 8.490 15.439 1.00 44.43 H new ATOM 0 HD13 ILE A 342 7.507 7.940 15.907 1.00 44.43 H new ATOM 376 N PRO A 343 5.900 6.012 19.635 1.00 21.30 N ATOM 377 CA PRO A 343 5.314 5.600 20.924 1.00 4.13 C ATOM 378 C PRO A 343 4.015 4.809 20.779 1.00 44.43 C ATOM 379 O PRO A 343 2.991 5.343 20.356 1.00 52.44 O ATOM 380 CB PRO A 343 5.056 6.927 21.645 1.00 4.54 C ATOM 381 CG PRO A 343 6.032 7.873 21.047 1.00 60.11 C ATOM 382 CD PRO A 343 6.177 7.466 19.609 1.00 31.42 C ATOM 0 HA PRO A 343 5.982 4.925 21.460 1.00 4.13 H new ATOM 0 HB2 PRO A 343 4.031 7.267 21.495 1.00 4.54 H new ATOM 0 HB3 PRO A 343 5.206 6.830 22.720 1.00 4.54 H new ATOM 0 HG2 PRO A 343 5.678 8.901 21.128 1.00 60.11 H new ATOM 0 HG3 PRO A 343 6.990 7.824 21.565 1.00 60.11 H new ATOM 0 HD2 PRO A 343 5.474 7.998 18.968 1.00 31.42 H new ATOM 0 HD3 PRO A 343 7.177 7.678 19.230 1.00 31.42 H new ATOM 390 N GLY A 344 4.091 3.532 21.101 1.00 24.21 N ATOM 391 CA GLY A 344 2.938 2.667 21.040 1.00 22.44 C ATOM 392 C GLY A 344 2.868 1.901 19.741 1.00 12.54 C ATOM 393 O GLY A 344 2.003 1.049 19.563 1.00 2.33 O ATOM 0 H GLY A 344 4.948 3.072 21.409 1.00 24.21 H new ATOM 0 HA2 GLY A 344 2.968 1.965 21.873 1.00 22.44 H new ATOM 0 HA3 GLY A 344 2.033 3.262 21.158 1.00 22.44 H new ATOM 397 N ASP A 345 3.791 2.178 18.855 1.00 32.41 N ATOM 398 CA ASP A 345 3.798 1.567 17.544 1.00 52.44 C ATOM 399 C ASP A 345 5.097 0.786 17.375 1.00 61.33 C ATOM 400 O ASP A 345 6.154 1.344 17.047 1.00 22.25 O ATOM 401 CB ASP A 345 3.690 2.654 16.486 1.00 61.11 C ATOM 402 CG ASP A 345 3.382 2.147 15.107 1.00 72.14 C ATOM 403 OD1 ASP A 345 3.893 1.097 14.719 1.00 21.52 O ATOM 404 OD2 ASP A 345 2.612 2.814 14.395 1.00 13.11 O ATOM 0 H ASP A 345 4.558 2.831 19.018 1.00 32.41 H new ATOM 0 HA ASP A 345 2.953 0.887 17.435 1.00 52.44 H new ATOM 0 HB2 ASP A 345 2.913 3.358 16.783 1.00 61.11 H new ATOM 0 HB3 ASP A 345 4.628 3.209 16.455 1.00 61.11 H new ATOM 409 N ASN A 346 5.021 -0.504 17.566 1.00 1.30 N ATOM 410 CA ASN A 346 6.193 -1.359 17.618 1.00 14.51 C ATOM 411 C ASN A 346 6.638 -1.767 16.199 1.00 23.33 C ATOM 412 O ASN A 346 7.319 -2.775 16.002 1.00 73.22 O ATOM 413 CB ASN A 346 5.819 -2.593 18.433 1.00 32.34 C ATOM 414 CG ASN A 346 7.002 -3.305 19.025 1.00 21.14 C ATOM 415 OD1 ASN A 346 8.013 -2.690 19.384 1.00 41.34 O ATOM 416 ND2 ASN A 346 6.873 -4.567 19.173 1.00 45.31 N ATOM 0 H ASN A 346 4.140 -1.002 17.692 1.00 1.30 H new ATOM 0 HA ASN A 346 7.027 -0.830 18.079 1.00 14.51 H new ATOM 0 HB2 ASN A 346 5.145 -2.297 19.236 1.00 32.34 H new ATOM 0 HB3 ASN A 346 5.270 -3.286 17.796 1.00 32.34 H new ATOM 0 HD21 ASN A 346 7.622 -5.109 19.603 1.00 45.31 H new ATOM 0 HD22 ASN A 346 6.021 -5.033 18.862 1.00 45.31 H new ATOM 423 N SER A 347 6.311 -0.941 15.231 1.00 62.35 N ATOM 424 CA SER A 347 6.592 -1.258 13.844 1.00 71.34 C ATOM 425 C SER A 347 7.974 -0.785 13.427 1.00 43.31 C ATOM 426 O SER A 347 8.666 -0.073 14.173 1.00 13.04 O ATOM 427 CB SER A 347 5.545 -0.645 12.938 1.00 70.33 C ATOM 428 OG SER A 347 4.243 -1.032 13.337 1.00 42.55 O ATOM 0 H SER A 347 5.850 -0.043 15.376 1.00 62.35 H new ATOM 0 HA SER A 347 6.563 -2.343 13.747 1.00 71.34 H new ATOM 0 HB2 SER A 347 5.629 0.442 12.961 1.00 70.33 H new ATOM 0 HB3 SER A 347 5.722 -0.956 11.908 1.00 70.33 H new ATOM 0 HG SER A 347 3.760 -0.251 13.679 1.00 42.55 H new ATOM 434 N ILE A 348 8.362 -1.175 12.234 1.00 34.54 N ATOM 435 CA ILE A 348 9.642 -0.842 11.691 1.00 53.33 C ATOM 436 C ILE A 348 9.530 0.495 10.969 1.00 33.50 C ATOM 437 O ILE A 348 8.721 0.635 10.063 1.00 40.23 O ATOM 438 CB ILE A 348 10.075 -1.922 10.669 1.00 43.14 C ATOM 439 CG1 ILE A 348 9.821 -3.345 11.216 1.00 14.14 C ATOM 440 CG2 ILE A 348 11.532 -1.747 10.283 1.00 52.32 C ATOM 441 CD1 ILE A 348 10.470 -3.649 12.547 1.00 71.13 C ATOM 0 H ILE A 348 7.783 -1.740 11.612 1.00 34.54 H new ATOM 0 HA ILE A 348 10.376 -0.786 12.494 1.00 53.33 H new ATOM 0 HB ILE A 348 9.466 -1.795 9.774 1.00 43.14 H new ATOM 0 HG12 ILE A 348 8.745 -3.493 11.312 1.00 14.14 H new ATOM 0 HG13 ILE A 348 10.178 -4.068 10.482 1.00 14.14 H new ATOM 0 HG21 ILE A 348 11.813 -2.517 9.564 1.00 52.32 H new ATOM 0 HG22 ILE A 348 11.674 -0.763 9.835 1.00 52.32 H new ATOM 0 HG23 ILE A 348 12.157 -1.835 11.172 1.00 52.32 H new ATOM 0 HD11 ILE A 348 10.232 -4.671 12.843 1.00 71.13 H new ATOM 0 HD12 ILE A 348 11.551 -3.540 12.458 1.00 71.13 H new ATOM 0 HD13 ILE A 348 10.096 -2.956 13.301 1.00 71.13 H new ATOM 453 N TYR A 349 10.322 1.457 11.357 1.00 31.44 N ATOM 454 CA TYR A 349 10.281 2.769 10.746 1.00 11.44 C ATOM 455 C TYR A 349 11.645 3.153 10.206 1.00 20.51 C ATOM 456 O TYR A 349 12.669 2.983 10.880 1.00 41.34 O ATOM 457 CB TYR A 349 9.776 3.827 11.749 1.00 5.11 C ATOM 458 CG TYR A 349 8.275 3.822 11.975 1.00 32.14 C ATOM 459 CD1 TYR A 349 7.659 2.928 12.845 1.00 23.15 C ATOM 460 CD2 TYR A 349 7.478 4.718 11.298 1.00 32.42 C ATOM 461 CE1 TYR A 349 6.282 2.932 13.010 1.00 45.22 C ATOM 462 CE2 TYR A 349 6.115 4.738 11.462 1.00 33.03 C ATOM 463 CZ TYR A 349 5.517 3.844 12.310 1.00 62.52 C ATOM 464 OH TYR A 349 4.146 3.846 12.430 1.00 44.52 O ATOM 0 H TYR A 349 11.013 1.360 12.101 1.00 31.44 H new ATOM 0 HA TYR A 349 9.581 2.731 9.911 1.00 11.44 H new ATOM 0 HB2 TYR A 349 10.274 3.668 12.705 1.00 5.11 H new ATOM 0 HB3 TYR A 349 10.073 4.814 11.395 1.00 5.11 H new ATOM 0 HD1 TYR A 349 8.260 2.222 13.399 1.00 23.15 H new ATOM 0 HD2 TYR A 349 7.937 5.423 10.621 1.00 32.42 H new ATOM 0 HE1 TYR A 349 5.812 2.228 13.680 1.00 45.22 H new ATOM 0 HE2 TYR A 349 5.516 5.457 10.923 1.00 33.03 H new ATOM 0 HH TYR A 349 3.900 3.772 13.376 1.00 44.52 H new ATOM 474 N VAL A 350 11.665 3.622 8.977 1.00 33.21 N ATOM 475 CA VAL A 350 12.903 4.040 8.335 1.00 14.34 C ATOM 476 C VAL A 350 13.396 5.319 8.978 1.00 23.32 C ATOM 477 O VAL A 350 12.707 6.317 8.977 1.00 71.42 O ATOM 478 CB VAL A 350 12.730 4.246 6.807 1.00 71.34 C ATOM 479 CG1 VAL A 350 14.061 4.613 6.157 1.00 4.51 C ATOM 480 CG2 VAL A 350 12.149 2.991 6.169 1.00 65.44 C ATOM 0 H VAL A 350 10.834 3.726 8.395 1.00 33.21 H new ATOM 0 HA VAL A 350 13.636 3.245 8.472 1.00 14.34 H new ATOM 0 HB VAL A 350 12.036 5.071 6.646 1.00 71.34 H new ATOM 0 HG11 VAL A 350 13.916 4.753 5.086 1.00 4.51 H new ATOM 0 HG12 VAL A 350 14.438 5.537 6.596 1.00 4.51 H new ATOM 0 HG13 VAL A 350 14.781 3.812 6.324 1.00 4.51 H new ATOM 0 HG21 VAL A 350 12.032 3.148 5.097 1.00 65.44 H new ATOM 0 HG22 VAL A 350 12.821 2.151 6.341 1.00 65.44 H new ATOM 0 HG23 VAL A 350 11.177 2.775 6.612 1.00 65.44 H new ATOM 490 N THR A 351 14.574 5.271 9.516 1.00 50.15 N ATOM 491 CA THR A 351 15.128 6.372 10.252 1.00 44.03 C ATOM 492 C THR A 351 16.133 7.165 9.401 1.00 73.34 C ATOM 493 O THR A 351 16.377 8.342 9.642 1.00 5.02 O ATOM 494 CB THR A 351 15.805 5.812 11.508 1.00 3.31 C ATOM 495 OG1 THR A 351 14.861 4.943 12.153 1.00 14.44 O ATOM 496 CG2 THR A 351 16.209 6.919 12.479 1.00 33.50 C ATOM 0 H THR A 351 15.188 4.459 9.458 1.00 50.15 H new ATOM 0 HA THR A 351 14.332 7.063 10.529 1.00 44.03 H new ATOM 0 HB THR A 351 16.714 5.284 11.219 1.00 3.31 H new ATOM 0 HG1 THR A 351 14.557 5.354 12.989 1.00 14.44 H new ATOM 0 HG21 THR A 351 16.685 6.479 13.355 1.00 33.50 H new ATOM 0 HG22 THR A 351 16.908 7.596 11.988 1.00 33.50 H new ATOM 0 HG23 THR A 351 15.323 7.473 12.788 1.00 33.50 H new ATOM 504 N LYS A 352 16.693 6.535 8.396 1.00 21.13 N ATOM 505 CA LYS A 352 17.659 7.202 7.572 1.00 42.50 C ATOM 506 C LYS A 352 17.663 6.519 6.231 1.00 42.40 C ATOM 507 O LYS A 352 17.581 5.322 6.171 1.00 51.44 O ATOM 508 CB LYS A 352 19.046 7.049 8.233 1.00 32.32 C ATOM 509 CG LYS A 352 20.068 8.156 7.953 1.00 70.03 C ATOM 510 CD LYS A 352 20.559 8.151 6.519 1.00 14.11 C ATOM 511 CE LYS A 352 21.533 9.286 6.230 1.00 32.11 C ATOM 512 NZ LYS A 352 21.960 9.274 4.816 1.00 61.11 N ATOM 0 H LYS A 352 16.495 5.569 8.134 1.00 21.13 H new ATOM 0 HA LYS A 352 17.423 8.260 7.456 1.00 42.50 H new ATOM 0 HB2 LYS A 352 18.903 6.983 9.312 1.00 32.32 H new ATOM 0 HB3 LYS A 352 19.474 6.101 7.909 1.00 32.32 H new ATOM 0 HG2 LYS A 352 19.619 9.124 8.175 1.00 70.03 H new ATOM 0 HG3 LYS A 352 20.919 8.038 8.624 1.00 70.03 H new ATOM 0 HD2 LYS A 352 21.044 7.198 6.308 1.00 14.11 H new ATOM 0 HD3 LYS A 352 19.705 8.230 5.846 1.00 14.11 H new ATOM 0 HE2 LYS A 352 21.062 10.241 6.463 1.00 32.11 H new ATOM 0 HE3 LYS A 352 22.405 9.194 6.877 1.00 32.11 H new ATOM 0 HZ1 LYS A 352 22.285 10.224 4.543 1.00 61.11 H new ATOM 0 HZ2 LYS A 352 22.737 8.594 4.694 1.00 61.11 H new ATOM 0 HZ3 LYS A 352 21.159 8.996 4.214 1.00 61.11 H new ATOM 526 N ILE A 353 17.703 7.264 5.174 1.00 23.14 N ATOM 527 CA ILE A 353 17.869 6.673 3.873 1.00 1.04 C ATOM 528 C ILE A 353 19.268 7.023 3.399 1.00 71.40 C ATOM 529 O ILE A 353 19.666 8.206 3.426 1.00 2.12 O ATOM 530 CB ILE A 353 16.798 7.147 2.855 1.00 62.42 C ATOM 531 CG1 ILE A 353 15.397 6.821 3.384 1.00 33.43 C ATOM 532 CG2 ILE A 353 17.016 6.455 1.519 1.00 51.35 C ATOM 533 CD1 ILE A 353 14.273 7.352 2.528 1.00 1.31 C ATOM 0 H ILE A 353 17.624 8.281 5.179 1.00 23.14 H new ATOM 0 HA ILE A 353 17.737 5.594 3.946 1.00 1.04 H new ATOM 0 HB ILE A 353 16.887 8.225 2.719 1.00 62.42 H new ATOM 0 HG12 ILE A 353 15.295 5.739 3.467 1.00 33.43 H new ATOM 0 HG13 ILE A 353 15.297 7.229 4.390 1.00 33.43 H new ATOM 0 HG21 ILE A 353 16.262 6.791 0.808 1.00 51.35 H new ATOM 0 HG22 ILE A 353 18.008 6.701 1.139 1.00 51.35 H new ATOM 0 HG23 ILE A 353 16.935 5.376 1.651 1.00 51.35 H new ATOM 0 HD11 ILE A 353 13.316 7.078 2.973 1.00 1.31 H new ATOM 0 HD12 ILE A 353 14.346 8.438 2.464 1.00 1.31 H new ATOM 0 HD13 ILE A 353 14.344 6.924 1.528 1.00 1.31 H new ATOM 545 N ILE A 354 20.021 6.022 3.035 1.00 1.34 N ATOM 546 CA ILE A 354 21.399 6.192 2.649 1.00 54.10 C ATOM 547 C ILE A 354 21.474 6.811 1.267 1.00 10.10 C ATOM 548 O ILE A 354 20.744 6.422 0.349 1.00 33.51 O ATOM 549 CB ILE A 354 22.185 4.839 2.694 1.00 32.23 C ATOM 550 CG1 ILE A 354 22.138 4.227 4.110 1.00 33.34 C ATOM 551 CG2 ILE A 354 23.637 5.005 2.233 1.00 12.35 C ATOM 552 CD1 ILE A 354 22.775 5.080 5.197 1.00 13.34 C ATOM 0 H ILE A 354 19.695 5.056 2.997 1.00 1.34 H new ATOM 0 HA ILE A 354 21.871 6.862 3.367 1.00 54.10 H new ATOM 0 HB ILE A 354 21.694 4.158 1.999 1.00 32.23 H new ATOM 0 HG12 ILE A 354 21.097 4.043 4.376 1.00 33.34 H new ATOM 0 HG13 ILE A 354 22.638 3.259 4.088 1.00 33.34 H new ATOM 0 HG21 ILE A 354 24.146 4.042 2.280 1.00 12.35 H new ATOM 0 HG22 ILE A 354 23.653 5.375 1.208 1.00 12.35 H new ATOM 0 HG23 ILE A 354 24.146 5.717 2.883 1.00 12.35 H new ATOM 0 HD11 ILE A 354 22.693 4.568 6.156 1.00 13.34 H new ATOM 0 HD12 ILE A 354 23.827 5.244 4.961 1.00 13.34 H new ATOM 0 HD13 ILE A 354 22.262 6.040 5.254 1.00 13.34 H new ATOM 564 N GLU A 355 22.329 7.772 1.149 1.00 65.42 N ATOM 565 CA GLU A 355 22.550 8.508 -0.045 1.00 72.15 C ATOM 566 C GLU A 355 23.060 7.615 -1.167 1.00 54.03 C ATOM 567 O GLU A 355 24.079 6.894 -1.043 1.00 50.00 O ATOM 568 CB GLU A 355 23.421 9.785 0.192 1.00 53.23 C ATOM 569 CG GLU A 355 24.551 9.682 1.248 1.00 24.13 C ATOM 570 CD GLU A 355 24.020 9.572 2.680 1.00 63.02 C ATOM 571 OE1 GLU A 355 23.656 10.593 3.292 1.00 30.02 O ATOM 572 OE2 GLU A 355 23.862 8.431 3.187 1.00 54.24 O ATOM 0 H GLU A 355 22.920 8.078 1.922 1.00 65.42 H new ATOM 0 HA GLU A 355 21.584 8.886 -0.380 1.00 72.15 H new ATOM 0 HB2 GLU A 355 23.872 10.069 -0.759 1.00 53.23 H new ATOM 0 HB3 GLU A 355 22.757 10.598 0.485 1.00 53.23 H new ATOM 0 HG2 GLU A 355 25.169 8.812 1.027 1.00 24.13 H new ATOM 0 HG3 GLU A 355 25.195 10.558 1.171 1.00 24.13 H new ATOM 579 N GLY A 356 22.296 7.598 -2.232 1.00 23.13 N ATOM 580 CA GLY A 356 22.588 6.759 -3.357 1.00 41.43 C ATOM 581 C GLY A 356 22.151 5.325 -3.110 1.00 71.11 C ATOM 582 O GLY A 356 22.722 4.398 -3.681 1.00 34.41 O ATOM 0 H GLY A 356 21.456 8.167 -2.338 1.00 23.13 H new ATOM 0 HA2 GLY A 356 22.084 7.147 -4.242 1.00 41.43 H new ATOM 0 HA3 GLY A 356 23.658 6.784 -3.563 1.00 41.43 H new ATOM 586 N GLY A 357 21.271 5.141 -2.144 1.00 71.02 N ATOM 587 CA GLY A 357 20.672 3.849 -1.893 1.00 64.42 C ATOM 588 C GLY A 357 19.593 3.523 -2.906 1.00 22.21 C ATOM 589 O GLY A 357 19.050 4.437 -3.564 1.00 31.23 O ATOM 0 H GLY A 357 20.954 5.880 -1.516 1.00 71.02 H new ATOM 0 HA2 GLY A 357 21.443 3.079 -1.922 1.00 64.42 H new ATOM 0 HA3 GLY A 357 20.245 3.835 -0.890 1.00 64.42 H new ATOM 593 N ALA A 358 19.227 2.259 -2.998 1.00 73.42 N ATOM 594 CA ALA A 358 18.191 1.823 -3.916 1.00 75.33 C ATOM 595 C ALA A 358 16.881 2.472 -3.521 1.00 11.12 C ATOM 596 O ALA A 358 16.134 2.991 -4.363 1.00 10.15 O ATOM 597 CB ALA A 358 18.065 0.306 -3.899 1.00 23.44 C ATOM 0 H ALA A 358 19.637 1.508 -2.442 1.00 73.42 H new ATOM 0 HA ALA A 358 18.453 2.123 -4.931 1.00 75.33 H new ATOM 0 HB1 ALA A 358 17.283 -0.002 -4.593 1.00 23.44 H new ATOM 0 HB2 ALA A 358 19.013 -0.141 -4.198 1.00 23.44 H new ATOM 0 HB3 ALA A 358 17.808 -0.027 -2.893 1.00 23.44 H new ATOM 603 N ALA A 359 16.629 2.520 -2.228 1.00 55.42 N ATOM 604 CA ALA A 359 15.420 3.167 -1.761 1.00 44.33 C ATOM 605 C ALA A 359 15.529 4.705 -1.823 1.00 20.03 C ATOM 606 O ALA A 359 14.549 5.413 -1.650 1.00 70.51 O ATOM 607 CB ALA A 359 15.024 2.701 -0.382 1.00 3.40 C ATOM 0 H ALA A 359 17.227 2.130 -1.499 1.00 55.42 H new ATOM 0 HA ALA A 359 14.624 2.869 -2.444 1.00 44.33 H new ATOM 0 HB1 ALA A 359 14.113 3.213 -0.073 1.00 3.40 H new ATOM 0 HB2 ALA A 359 14.849 1.625 -0.398 1.00 3.40 H new ATOM 0 HB3 ALA A 359 15.824 2.928 0.322 1.00 3.40 H new ATOM 613 N HIS A 360 16.717 5.197 -2.092 1.00 2.41 N ATOM 614 CA HIS A 360 16.944 6.622 -2.213 1.00 1.44 C ATOM 615 C HIS A 360 16.703 7.031 -3.660 1.00 74.11 C ATOM 616 O HIS A 360 16.352 8.170 -3.962 1.00 4.31 O ATOM 617 CB HIS A 360 18.386 6.957 -1.752 1.00 74.02 C ATOM 618 CG HIS A 360 18.843 8.378 -1.935 1.00 41.50 C ATOM 619 ND1 HIS A 360 18.905 9.310 -0.927 1.00 2.01 N ATOM 620 CD2 HIS A 360 19.318 8.997 -3.041 1.00 74.24 C ATOM 621 CE1 HIS A 360 19.403 10.440 -1.439 1.00 64.54 C ATOM 622 NE2 HIS A 360 19.671 10.294 -2.729 1.00 43.45 N ATOM 0 H HIS A 360 17.550 4.626 -2.233 1.00 2.41 H new ATOM 0 HA HIS A 360 16.257 7.180 -1.577 1.00 1.44 H new ATOM 0 HB2 HIS A 360 18.472 6.706 -0.695 1.00 74.02 H new ATOM 0 HB3 HIS A 360 19.075 6.306 -2.291 1.00 74.02 H new ATOM 0 HD2 HIS A 360 19.407 8.545 -4.018 1.00 74.24 H new ATOM 0 HE1 HIS A 360 19.565 11.348 -0.878 1.00 64.54 H new ATOM 0 HE2 HIS A 360 20.058 10.995 -3.360 1.00 43.45 H new ATOM 630 N LYS A 361 16.938 6.120 -4.561 1.00 71.21 N ATOM 631 CA LYS A 361 16.694 6.377 -5.955 1.00 25.25 C ATOM 632 C LYS A 361 15.344 5.901 -6.416 1.00 70.43 C ATOM 633 O LYS A 361 14.554 6.700 -6.896 1.00 70.42 O ATOM 634 CB LYS A 361 17.809 5.843 -6.815 1.00 21.42 C ATOM 635 CG LYS A 361 19.089 6.698 -6.813 1.00 31.24 C ATOM 636 CD LYS A 361 18.949 8.021 -7.619 1.00 14.45 C ATOM 637 CE LYS A 361 18.744 9.310 -6.769 1.00 3.43 C ATOM 638 NZ LYS A 361 17.411 9.428 -6.101 1.00 11.41 N ATOM 0 H LYS A 361 17.300 5.189 -4.356 1.00 71.21 H new ATOM 0 HA LYS A 361 16.678 7.461 -6.072 1.00 25.25 H new ATOM 0 HB2 LYS A 361 18.060 4.837 -6.478 1.00 21.42 H new ATOM 0 HB3 LYS A 361 17.449 5.755 -7.840 1.00 21.42 H new ATOM 0 HG2 LYS A 361 19.357 6.935 -5.783 1.00 31.24 H new ATOM 0 HG3 LYS A 361 19.909 6.113 -7.229 1.00 31.24 H new ATOM 0 HD2 LYS A 361 19.842 8.149 -8.230 1.00 14.45 H new ATOM 0 HD3 LYS A 361 18.106 7.921 -8.303 1.00 14.45 H new ATOM 0 HE2 LYS A 361 19.520 9.349 -6.005 1.00 3.43 H new ATOM 0 HE3 LYS A 361 18.887 10.177 -7.413 1.00 3.43 H new ATOM 0 HZ1 LYS A 361 17.241 10.420 -5.839 1.00 11.41 H new ATOM 0 HZ2 LYS A 361 16.666 9.110 -6.754 1.00 11.41 H new ATOM 0 HZ3 LYS A 361 17.398 8.836 -5.246 1.00 11.41 H new ATOM 652 N ASP A 362 15.083 4.637 -6.249 1.00 43.43 N ATOM 653 CA ASP A 362 13.801 4.061 -6.661 1.00 24.33 C ATOM 654 C ASP A 362 12.805 4.220 -5.610 1.00 24.44 C ATOM 655 O ASP A 362 11.697 4.630 -5.865 1.00 21.33 O ATOM 656 CB ASP A 362 13.890 2.568 -6.871 1.00 61.10 C ATOM 657 CG ASP A 362 12.501 1.972 -7.211 1.00 3.22 C ATOM 658 OD1 ASP A 362 12.039 2.087 -8.355 1.00 72.11 O ATOM 659 OD2 ASP A 362 11.808 1.472 -6.285 1.00 22.44 O ATOM 0 H ASP A 362 15.732 3.970 -5.831 1.00 43.43 H new ATOM 0 HA ASP A 362 13.534 4.579 -7.582 1.00 24.33 H new ATOM 0 HB2 ASP A 362 14.590 2.352 -7.678 1.00 61.10 H new ATOM 0 HB3 ASP A 362 14.283 2.093 -5.972 1.00 61.10 H new ATOM 664 N GLY A 363 13.269 3.959 -4.412 1.00 53.14 N ATOM 665 CA GLY A 363 12.427 3.703 -3.239 1.00 73.31 C ATOM 666 C GLY A 363 11.223 4.555 -3.001 1.00 3.52 C ATOM 667 O GLY A 363 10.309 4.067 -2.389 1.00 65.25 O ATOM 0 H GLY A 363 14.267 3.915 -4.207 1.00 53.14 H new ATOM 0 HA2 GLY A 363 12.089 2.668 -3.298 1.00 73.31 H new ATOM 0 HA3 GLY A 363 13.062 3.781 -2.357 1.00 73.31 H new ATOM 671 N LYS A 364 11.194 5.794 -3.500 1.00 44.32 N ATOM 672 CA LYS A 364 10.054 6.750 -3.300 1.00 65.34 C ATOM 673 C LYS A 364 9.536 6.712 -1.832 1.00 24.52 C ATOM 674 O LYS A 364 8.355 6.935 -1.546 1.00 71.21 O ATOM 675 CB LYS A 364 8.873 6.563 -4.376 1.00 34.03 C ATOM 676 CG LYS A 364 7.968 5.271 -4.336 1.00 70.01 C ATOM 677 CD LYS A 364 8.611 3.976 -4.899 1.00 33.34 C ATOM 678 CE LYS A 364 8.889 4.027 -6.400 1.00 12.23 C ATOM 679 NZ LYS A 364 9.604 2.805 -6.884 1.00 50.10 N ATOM 0 H LYS A 364 11.954 6.182 -4.059 1.00 44.32 H new ATOM 0 HA LYS A 364 10.449 7.750 -3.481 1.00 65.34 H new ATOM 0 HB2 LYS A 364 8.212 7.425 -4.285 1.00 34.03 H new ATOM 0 HB3 LYS A 364 9.326 6.611 -5.366 1.00 34.03 H new ATOM 0 HG2 LYS A 364 7.675 5.088 -3.302 1.00 70.01 H new ATOM 0 HG3 LYS A 364 7.055 5.473 -4.896 1.00 70.01 H new ATOM 0 HD2 LYS A 364 9.546 3.787 -4.372 1.00 33.34 H new ATOM 0 HD3 LYS A 364 7.952 3.134 -4.690 1.00 33.34 H new ATOM 0 HE2 LYS A 364 7.947 4.132 -6.939 1.00 12.23 H new ATOM 0 HE3 LYS A 364 9.487 4.910 -6.627 1.00 12.23 H new ATOM 0 HZ1 LYS A 364 10.023 2.995 -7.817 1.00 50.10 H new ATOM 0 HZ2 LYS A 364 10.356 2.553 -6.211 1.00 50.10 H new ATOM 0 HZ3 LYS A 364 8.930 2.016 -6.961 1.00 50.10 H new ATOM 693 N LEU A 365 10.477 6.502 -0.933 1.00 22.14 N ATOM 694 CA LEU A 365 10.227 6.241 0.455 1.00 65.41 C ATOM 695 C LEU A 365 10.668 7.463 1.244 1.00 40.21 C ATOM 696 O LEU A 365 11.596 8.168 0.838 1.00 62.45 O ATOM 697 CB LEU A 365 11.043 4.946 0.828 1.00 53.32 C ATOM 698 CG LEU A 365 10.778 4.214 2.175 1.00 44.41 C ATOM 699 CD1 LEU A 365 11.202 5.007 3.371 1.00 25.10 C ATOM 700 CD2 LEU A 365 9.331 3.776 2.277 1.00 4.00 C ATOM 0 H LEU A 365 11.470 6.511 -1.166 1.00 22.14 H new ATOM 0 HA LEU A 365 9.175 6.066 0.682 1.00 65.41 H new ATOM 0 HB2 LEU A 365 10.882 4.222 0.030 1.00 53.32 H new ATOM 0 HB3 LEU A 365 12.100 5.213 0.808 1.00 53.32 H new ATOM 0 HG LEU A 365 11.406 3.323 2.174 1.00 44.41 H new ATOM 0 HD11 LEU A 365 10.990 4.440 4.277 1.00 25.10 H new ATOM 0 HD12 LEU A 365 12.271 5.210 3.312 1.00 25.10 H new ATOM 0 HD13 LEU A 365 10.654 5.949 3.396 1.00 25.10 H new ATOM 0 HD21 LEU A 365 9.171 3.267 3.227 1.00 4.00 H new ATOM 0 HD22 LEU A 365 8.682 4.650 2.220 1.00 4.00 H new ATOM 0 HD23 LEU A 365 9.098 3.096 1.457 1.00 4.00 H new ATOM 712 N GLN A 366 10.005 7.724 2.340 1.00 34.04 N ATOM 713 CA GLN A 366 10.302 8.862 3.150 1.00 64.02 C ATOM 714 C GLN A 366 10.767 8.410 4.519 1.00 35.01 C ATOM 715 O GLN A 366 10.282 7.410 5.043 1.00 14.45 O ATOM 716 CB GLN A 366 9.083 9.805 3.287 1.00 75.44 C ATOM 717 CG GLN A 366 8.643 10.497 1.987 1.00 65.02 C ATOM 718 CD GLN A 366 7.578 9.770 1.140 1.00 51.11 C ATOM 719 OE1 GLN A 366 6.816 10.411 0.431 1.00 0.14 O ATOM 720 NE2 GLN A 366 7.451 8.483 1.257 1.00 22.12 N ATOM 0 H GLN A 366 9.241 7.147 2.692 1.00 34.04 H new ATOM 0 HA GLN A 366 11.097 9.423 2.659 1.00 64.02 H new ATOM 0 HB2 GLN A 366 8.242 9.232 3.677 1.00 75.44 H new ATOM 0 HB3 GLN A 366 9.317 10.571 4.026 1.00 75.44 H new ATOM 0 HG2 GLN A 366 8.259 11.485 2.241 1.00 65.02 H new ATOM 0 HG3 GLN A 366 9.526 10.648 1.366 1.00 65.02 H new ATOM 0 HE21 GLN A 366 8.093 7.959 1.852 1.00 22.12 H new ATOM 0 HE22 GLN A 366 6.709 7.996 0.754 1.00 22.12 H new ATOM 729 N ILE A 367 11.736 9.107 5.079 1.00 24.25 N ATOM 730 CA ILE A 367 12.194 8.803 6.419 1.00 32.42 C ATOM 731 C ILE A 367 11.016 8.983 7.376 1.00 43.12 C ATOM 732 O ILE A 367 10.433 10.061 7.444 1.00 63.34 O ATOM 733 CB ILE A 367 13.383 9.711 6.841 1.00 64.30 C ATOM 734 CG1 ILE A 367 14.614 9.427 5.962 1.00 4.00 C ATOM 735 CG2 ILE A 367 13.712 9.544 8.323 1.00 33.34 C ATOM 736 CD1 ILE A 367 15.803 10.331 6.236 1.00 3.14 C ATOM 0 H ILE A 367 12.219 9.884 4.629 1.00 24.25 H new ATOM 0 HA ILE A 367 12.557 7.776 6.450 1.00 32.42 H new ATOM 0 HB ILE A 367 13.087 10.749 6.690 1.00 64.30 H new ATOM 0 HG12 ILE A 367 14.919 8.391 6.109 1.00 4.00 H new ATOM 0 HG13 ILE A 367 14.329 9.529 4.915 1.00 4.00 H new ATOM 0 HG21 ILE A 367 14.548 10.193 8.586 1.00 33.34 H new ATOM 0 HG22 ILE A 367 12.842 9.813 8.921 1.00 33.34 H new ATOM 0 HG23 ILE A 367 13.982 8.507 8.521 1.00 33.34 H new ATOM 0 HD11 ILE A 367 16.625 10.062 5.573 1.00 3.14 H new ATOM 0 HD12 ILE A 367 15.519 11.369 6.060 1.00 3.14 H new ATOM 0 HD13 ILE A 367 16.119 10.213 7.272 1.00 3.14 H new ATOM 748 N GLY A 368 10.675 7.931 8.074 1.00 45.42 N ATOM 749 CA GLY A 368 9.512 7.939 8.911 1.00 23.53 C ATOM 750 C GLY A 368 8.470 6.952 8.421 1.00 24.30 C ATOM 751 O GLY A 368 7.436 6.777 9.051 1.00 54.42 O ATOM 0 H GLY A 368 11.194 7.053 8.076 1.00 45.42 H new ATOM 0 HA2 GLY A 368 9.796 7.692 9.934 1.00 23.53 H new ATOM 0 HA3 GLY A 368 9.084 8.941 8.932 1.00 23.53 H new ATOM 755 N ASP A 369 8.730 6.314 7.279 1.00 44.34 N ATOM 756 CA ASP A 369 7.819 5.317 6.755 1.00 34.00 C ATOM 757 C ASP A 369 7.890 3.994 7.496 1.00 31.11 C ATOM 758 O ASP A 369 8.984 3.498 7.831 1.00 52.23 O ATOM 759 CB ASP A 369 7.984 5.135 5.254 1.00 15.34 C ATOM 760 CG ASP A 369 7.307 6.240 4.454 1.00 35.31 C ATOM 761 OD1 ASP A 369 6.279 6.779 4.924 1.00 4.41 O ATOM 762 OD2 ASP A 369 7.732 6.542 3.303 1.00 71.52 O ATOM 0 H ASP A 369 9.560 6.474 6.708 1.00 44.34 H new ATOM 0 HA ASP A 369 6.815 5.705 6.930 1.00 34.00 H new ATOM 0 HB2 ASP A 369 9.046 5.112 5.009 1.00 15.34 H new ATOM 0 HB3 ASP A 369 7.568 4.171 4.960 1.00 15.34 H new ATOM 767 N LYS A 370 6.714 3.446 7.768 1.00 72.32 N ATOM 768 CA LYS A 370 6.531 2.182 8.472 1.00 40.01 C ATOM 769 C LYS A 370 6.529 1.016 7.508 1.00 33.33 C ATOM 770 O LYS A 370 5.680 0.919 6.617 1.00 4.11 O ATOM 771 CB LYS A 370 5.212 2.216 9.280 1.00 32.24 C ATOM 772 CG LYS A 370 4.584 0.859 9.621 1.00 2.13 C ATOM 773 CD LYS A 370 3.248 1.056 10.332 1.00 73.42 C ATOM 774 CE LYS A 370 2.386 -0.209 10.334 1.00 74.13 C ATOM 775 NZ LYS A 370 3.043 -1.365 10.957 1.00 44.43 N ATOM 0 H LYS A 370 5.833 3.882 7.497 1.00 72.32 H new ATOM 0 HA LYS A 370 7.367 2.047 9.158 1.00 40.01 H new ATOM 0 HB2 LYS A 370 5.396 2.751 10.212 1.00 32.24 H new ATOM 0 HB3 LYS A 370 4.482 2.798 8.718 1.00 32.24 H new ATOM 0 HG2 LYS A 370 4.436 0.280 8.709 1.00 2.13 H new ATOM 0 HG3 LYS A 370 5.261 0.287 10.256 1.00 2.13 H new ATOM 0 HD2 LYS A 370 3.431 1.367 11.360 1.00 73.42 H new ATOM 0 HD3 LYS A 370 2.699 1.864 9.848 1.00 73.42 H new ATOM 0 HE2 LYS A 370 1.454 -0.003 10.861 1.00 74.13 H new ATOM 0 HE3 LYS A 370 2.122 -0.461 9.307 1.00 74.13 H new ATOM 0 HZ1 LYS A 370 2.329 -2.080 11.202 1.00 44.43 H new ATOM 0 HZ2 LYS A 370 3.729 -1.775 10.291 1.00 44.43 H new ATOM 0 HZ3 LYS A 370 3.538 -1.060 11.820 1.00 44.43 H new ATOM 789 N LEU A 371 7.449 0.133 7.691 1.00 61.45 N ATOM 790 CA LEU A 371 7.512 -1.033 6.880 1.00 4.01 C ATOM 791 C LEU A 371 6.610 -2.073 7.458 1.00 75.33 C ATOM 792 O LEU A 371 6.702 -2.407 8.638 1.00 72.44 O ATOM 793 CB LEU A 371 8.930 -1.550 6.738 1.00 51.14 C ATOM 794 CG LEU A 371 9.919 -0.576 6.121 1.00 30.33 C ATOM 795 CD1 LEU A 371 11.275 -1.210 5.976 1.00 74.51 C ATOM 796 CD2 LEU A 371 9.421 -0.051 4.788 1.00 23.42 C ATOM 0 H LEU A 371 8.176 0.198 8.404 1.00 61.45 H new ATOM 0 HA LEU A 371 7.178 -0.780 5.874 1.00 4.01 H new ATOM 0 HB2 LEU A 371 9.295 -1.836 7.724 1.00 51.14 H new ATOM 0 HB3 LEU A 371 8.910 -2.455 6.131 1.00 51.14 H new ATOM 0 HG LEU A 371 10.011 0.275 6.796 1.00 30.33 H new ATOM 0 HD11 LEU A 371 11.966 -0.493 5.532 1.00 74.51 H new ATOM 0 HD12 LEU A 371 11.643 -1.509 6.957 1.00 74.51 H new ATOM 0 HD13 LEU A 371 11.200 -2.087 5.334 1.00 74.51 H new ATOM 0 HD21 LEU A 371 10.152 0.643 4.374 1.00 23.42 H new ATOM 0 HD22 LEU A 371 9.280 -0.884 4.099 1.00 23.42 H new ATOM 0 HD23 LEU A 371 8.472 0.465 4.932 1.00 23.42 H new ATOM 808 N LEU A 372 5.733 -2.530 6.636 1.00 70.25 N ATOM 809 CA LEU A 372 4.732 -3.486 6.996 1.00 63.42 C ATOM 810 C LEU A 372 5.283 -4.875 6.705 1.00 22.32 C ATOM 811 O LEU A 372 5.097 -5.819 7.478 1.00 74.22 O ATOM 812 CB LEU A 372 3.465 -3.188 6.140 1.00 51.45 C ATOM 813 CG LEU A 372 2.114 -3.820 6.553 1.00 1.31 C ATOM 814 CD1 LEU A 372 0.993 -3.226 5.720 1.00 65.03 C ATOM 815 CD2 LEU A 372 2.098 -5.337 6.402 1.00 24.13 C ATOM 0 H LEU A 372 5.686 -2.242 5.659 1.00 70.25 H new ATOM 0 HA LEU A 372 4.468 -3.430 8.052 1.00 63.42 H new ATOM 0 HB2 LEU A 372 3.329 -2.107 6.119 1.00 51.45 H new ATOM 0 HB3 LEU A 372 3.677 -3.503 5.118 1.00 51.45 H new ATOM 0 HG LEU A 372 1.971 -3.594 7.610 1.00 1.31 H new ATOM 0 HD11 LEU A 372 0.044 -3.674 6.015 1.00 65.03 H new ATOM 0 HD12 LEU A 372 0.951 -2.149 5.881 1.00 65.03 H new ATOM 0 HD13 LEU A 372 1.178 -3.428 4.665 1.00 65.03 H new ATOM 0 HD21 LEU A 372 1.125 -5.723 6.707 1.00 24.13 H new ATOM 0 HD22 LEU A 372 2.283 -5.601 5.361 1.00 24.13 H new ATOM 0 HD23 LEU A 372 2.874 -5.773 7.031 1.00 24.13 H new ATOM 827 N ALA A 373 5.978 -5.000 5.591 1.00 25.24 N ATOM 828 CA ALA A 373 6.495 -6.281 5.192 1.00 55.15 C ATOM 829 C ALA A 373 7.632 -6.143 4.203 1.00 51.23 C ATOM 830 O ALA A 373 7.798 -5.095 3.566 1.00 71.32 O ATOM 831 CB ALA A 373 5.376 -7.120 4.568 1.00 65.20 C ATOM 0 H ALA A 373 6.193 -4.232 4.955 1.00 25.24 H new ATOM 0 HA ALA A 373 6.881 -6.775 6.084 1.00 55.15 H new ATOM 0 HB1 ALA A 373 5.773 -8.090 4.267 1.00 65.20 H new ATOM 0 HB2 ALA A 373 4.579 -7.264 5.298 1.00 65.20 H new ATOM 0 HB3 ALA A 373 4.978 -6.604 3.694 1.00 65.20 H new ATOM 837 N VAL A 374 8.408 -7.191 4.081 1.00 10.00 N ATOM 838 CA VAL A 374 9.424 -7.276 3.051 1.00 61.52 C ATOM 839 C VAL A 374 9.326 -8.656 2.386 1.00 74.25 C ATOM 840 O VAL A 374 9.429 -9.681 3.031 1.00 14.12 O ATOM 841 CB VAL A 374 10.867 -6.981 3.580 1.00 15.33 C ATOM 842 CG1 VAL A 374 11.322 -7.994 4.613 1.00 11.14 C ATOM 843 CG2 VAL A 374 11.857 -6.898 2.429 1.00 40.21 C ATOM 0 H VAL A 374 8.357 -8.009 4.688 1.00 10.00 H new ATOM 0 HA VAL A 374 9.236 -6.495 2.314 1.00 61.52 H new ATOM 0 HB VAL A 374 10.832 -6.013 4.080 1.00 15.33 H new ATOM 0 HG11 VAL A 374 12.329 -7.745 4.948 1.00 11.14 H new ATOM 0 HG12 VAL A 374 10.641 -7.976 5.464 1.00 11.14 H new ATOM 0 HG13 VAL A 374 11.323 -8.990 4.170 1.00 11.14 H new ATOM 0 HG21 VAL A 374 12.853 -6.692 2.820 1.00 40.21 H new ATOM 0 HG22 VAL A 374 11.868 -7.845 1.889 1.00 40.21 H new ATOM 0 HG23 VAL A 374 11.561 -6.097 1.751 1.00 40.21 H new ATOM 853 N ASN A 375 9.020 -8.639 1.099 1.00 73.54 N ATOM 854 CA ASN A 375 8.731 -9.836 0.277 1.00 55.31 C ATOM 855 C ASN A 375 7.582 -10.571 0.865 1.00 62.03 C ATOM 856 O ASN A 375 7.462 -11.785 0.811 1.00 11.30 O ATOM 857 CB ASN A 375 9.950 -10.714 0.005 1.00 14.52 C ATOM 858 CG ASN A 375 10.967 -9.924 -0.758 1.00 32.11 C ATOM 859 OD1 ASN A 375 10.860 -9.741 -1.965 1.00 31.34 O ATOM 860 ND2 ASN A 375 11.983 -9.492 -0.101 1.00 40.52 N ATOM 0 H ASN A 375 8.960 -7.771 0.567 1.00 73.54 H new ATOM 0 HA ASN A 375 8.447 -9.499 -0.720 1.00 55.31 H new ATOM 0 HB2 ASN A 375 10.376 -11.066 0.944 1.00 14.52 H new ATOM 0 HB3 ASN A 375 9.657 -11.597 -0.563 1.00 14.52 H new ATOM 0 HD21 ASN A 375 12.724 -8.984 -0.584 1.00 40.52 H new ATOM 0 HD22 ASN A 375 12.049 -9.657 0.903 1.00 40.52 H new ATOM 867 N ASN A 376 6.703 -9.739 1.363 1.00 25.22 N ATOM 868 CA ASN A 376 5.443 -10.095 2.044 1.00 24.34 C ATOM 869 C ASN A 376 5.647 -10.801 3.381 1.00 53.25 C ATOM 870 O ASN A 376 4.690 -11.267 3.991 1.00 51.31 O ATOM 871 CB ASN A 376 4.484 -10.888 1.135 1.00 43.00 C ATOM 872 CG ASN A 376 3.900 -10.053 0.002 1.00 32.13 C ATOM 873 OD1 ASN A 376 3.681 -8.837 0.134 1.00 12.41 O ATOM 874 ND2 ASN A 376 3.646 -10.686 -1.119 1.00 31.22 N ATOM 0 H ASN A 376 6.838 -8.729 1.311 1.00 25.22 H new ATOM 0 HA ASN A 376 4.969 -9.140 2.271 1.00 24.34 H new ATOM 0 HB2 ASN A 376 5.016 -11.740 0.712 1.00 43.00 H new ATOM 0 HB3 ASN A 376 3.670 -11.289 1.739 1.00 43.00 H new ATOM 0 HD21 ASN A 376 3.257 -10.179 -1.914 1.00 31.22 H new ATOM 0 HD22 ASN A 376 3.837 -11.685 -1.195 1.00 31.22 H new ATOM 881 N VAL A 377 6.879 -10.836 3.860 1.00 5.54 N ATOM 882 CA VAL A 377 7.149 -11.340 5.190 1.00 22.22 C ATOM 883 C VAL A 377 6.786 -10.226 6.147 1.00 41.21 C ATOM 884 O VAL A 377 7.318 -9.122 6.025 1.00 62.30 O ATOM 885 CB VAL A 377 8.646 -11.709 5.386 1.00 13.31 C ATOM 886 CG1 VAL A 377 8.897 -12.273 6.784 1.00 32.33 C ATOM 887 CG2 VAL A 377 9.112 -12.693 4.319 1.00 61.25 C ATOM 0 H VAL A 377 7.703 -10.522 3.348 1.00 5.54 H new ATOM 0 HA VAL A 377 6.573 -12.249 5.362 1.00 22.22 H new ATOM 0 HB VAL A 377 9.227 -10.793 5.281 1.00 13.31 H new ATOM 0 HG11 VAL A 377 9.953 -12.522 6.892 1.00 32.33 H new ATOM 0 HG12 VAL A 377 8.622 -11.529 7.531 1.00 32.33 H new ATOM 0 HG13 VAL A 377 8.296 -13.171 6.927 1.00 32.33 H new ATOM 0 HG21 VAL A 377 10.163 -12.934 4.480 1.00 61.25 H new ATOM 0 HG22 VAL A 377 8.517 -13.604 4.380 1.00 61.25 H new ATOM 0 HG23 VAL A 377 8.990 -12.245 3.333 1.00 61.25 H new ATOM 897 N CYS A 378 5.869 -10.498 7.040 1.00 54.14 N ATOM 898 CA CYS A 378 5.345 -9.512 7.959 1.00 4.12 C ATOM 899 C CYS A 378 6.394 -8.976 8.938 1.00 24.11 C ATOM 900 O CYS A 378 7.073 -9.735 9.629 1.00 3.11 O ATOM 901 CB CYS A 378 4.153 -10.105 8.701 1.00 21.43 C ATOM 902 SG CYS A 378 4.497 -11.714 9.445 1.00 74.41 S ATOM 0 H CYS A 378 5.457 -11.424 7.153 1.00 54.14 H new ATOM 0 HA CYS A 378 5.028 -8.650 7.372 1.00 4.12 H new ATOM 0 HB2 CYS A 378 3.839 -9.412 9.482 1.00 21.43 H new ATOM 0 HB3 CYS A 378 3.317 -10.205 8.009 1.00 21.43 H new ATOM 0 HG CYS A 378 3.434 -12.145 10.057 1.00 74.41 H new ATOM 908 N LEU A 379 6.513 -7.669 8.954 1.00 1.25 N ATOM 909 CA LEU A 379 7.391 -6.930 9.859 1.00 25.10 C ATOM 910 C LEU A 379 6.570 -6.349 10.998 1.00 55.50 C ATOM 911 O LEU A 379 7.064 -5.575 11.825 1.00 72.53 O ATOM 912 CB LEU A 379 8.110 -5.807 9.092 1.00 10.44 C ATOM 913 CG LEU A 379 9.460 -6.148 8.433 1.00 74.41 C ATOM 914 CD1 LEU A 379 9.410 -7.413 7.620 1.00 34.15 C ATOM 915 CD2 LEU A 379 9.917 -4.996 7.566 1.00 13.00 C ATOM 0 H LEU A 379 5.989 -7.063 8.322 1.00 1.25 H new ATOM 0 HA LEU A 379 8.141 -7.606 10.269 1.00 25.10 H new ATOM 0 HB2 LEU A 379 7.437 -5.447 8.314 1.00 10.44 H new ATOM 0 HB3 LEU A 379 8.272 -4.979 9.782 1.00 10.44 H new ATOM 0 HG LEU A 379 10.174 -6.315 9.239 1.00 74.41 H new ATOM 0 HD11 LEU A 379 10.389 -7.602 7.180 1.00 34.15 H new ATOM 0 HD12 LEU A 379 9.134 -8.248 8.263 1.00 34.15 H new ATOM 0 HD13 LEU A 379 8.670 -7.306 6.826 1.00 34.15 H new ATOM 0 HD21 LEU A 379 10.872 -5.245 7.104 1.00 13.00 H new ATOM 0 HD22 LEU A 379 9.176 -4.809 6.789 1.00 13.00 H new ATOM 0 HD23 LEU A 379 10.033 -4.103 8.180 1.00 13.00 H new ATOM 927 N GLU A 380 5.322 -6.737 11.022 1.00 42.23 N ATOM 928 CA GLU A 380 4.386 -6.321 12.030 1.00 12.53 C ATOM 929 C GLU A 380 4.606 -7.154 13.282 1.00 73.40 C ATOM 930 O GLU A 380 4.348 -8.360 13.267 1.00 62.41 O ATOM 931 CB GLU A 380 2.954 -6.529 11.522 1.00 14.43 C ATOM 932 CG GLU A 380 2.634 -5.805 10.220 1.00 74.53 C ATOM 933 CD GLU A 380 2.738 -4.308 10.347 1.00 71.32 C ATOM 934 OE1 GLU A 380 1.782 -3.669 10.825 1.00 75.24 O ATOM 935 OE2 GLU A 380 3.775 -3.730 9.984 1.00 15.50 O ATOM 0 H GLU A 380 4.920 -7.365 10.326 1.00 42.23 H new ATOM 0 HA GLU A 380 4.535 -5.265 12.257 1.00 12.53 H new ATOM 0 HB2 GLU A 380 2.783 -7.596 11.381 1.00 14.43 H new ATOM 0 HB3 GLU A 380 2.257 -6.194 12.290 1.00 14.43 H new ATOM 0 HG2 GLU A 380 3.316 -6.148 9.441 1.00 74.53 H new ATOM 0 HG3 GLU A 380 1.626 -6.069 9.900 1.00 74.53 H new ATOM 942 N GLU A 381 5.107 -6.501 14.335 1.00 51.00 N ATOM 943 CA GLU A 381 5.382 -7.102 15.624 1.00 34.21 C ATOM 944 C GLU A 381 6.427 -8.231 15.530 1.00 33.01 C ATOM 945 O GLU A 381 6.110 -9.416 15.393 1.00 43.40 O ATOM 946 CB GLU A 381 4.113 -7.556 16.313 1.00 72.33 C ATOM 947 CG GLU A 381 4.341 -8.012 17.722 1.00 1.02 C ATOM 948 CD GLU A 381 5.053 -6.979 18.550 1.00 30.21 C ATOM 949 OE1 GLU A 381 4.526 -5.855 18.706 1.00 62.15 O ATOM 950 OE2 GLU A 381 6.168 -7.250 19.002 1.00 13.05 O ATOM 0 H GLU A 381 5.336 -5.508 14.303 1.00 51.00 H new ATOM 0 HA GLU A 381 5.823 -6.325 16.248 1.00 34.21 H new ATOM 0 HB2 GLU A 381 3.394 -6.737 16.314 1.00 72.33 H new ATOM 0 HB3 GLU A 381 3.667 -8.370 15.741 1.00 72.33 H new ATOM 0 HG2 GLU A 381 3.382 -8.247 18.185 1.00 1.02 H new ATOM 0 HG3 GLU A 381 4.925 -8.932 17.713 1.00 1.02 H new ATOM 957 N VAL A 382 7.652 -7.815 15.548 1.00 11.33 N ATOM 958 CA VAL A 382 8.847 -8.666 15.427 1.00 23.13 C ATOM 959 C VAL A 382 9.981 -7.946 16.129 1.00 61.23 C ATOM 960 O VAL A 382 9.857 -6.747 16.405 1.00 15.22 O ATOM 961 CB VAL A 382 9.290 -8.923 13.928 1.00 31.22 C ATOM 962 CG1 VAL A 382 8.288 -9.773 13.157 1.00 10.31 C ATOM 963 CG2 VAL A 382 9.543 -7.609 13.189 1.00 52.00 C ATOM 0 H VAL A 382 7.884 -6.827 15.652 1.00 11.33 H new ATOM 0 HA VAL A 382 8.612 -9.637 15.864 1.00 23.13 H new ATOM 0 HB VAL A 382 10.223 -9.484 13.980 1.00 31.22 H new ATOM 0 HG11 VAL A 382 8.642 -9.917 12.136 1.00 10.31 H new ATOM 0 HG12 VAL A 382 8.182 -10.742 13.645 1.00 10.31 H new ATOM 0 HG13 VAL A 382 7.322 -9.269 13.138 1.00 10.31 H new ATOM 0 HG21 VAL A 382 9.845 -7.821 12.163 1.00 52.00 H new ATOM 0 HG22 VAL A 382 8.630 -7.014 13.183 1.00 52.00 H new ATOM 0 HG23 VAL A 382 10.334 -7.054 13.693 1.00 52.00 H new ATOM 973 N THR A 383 11.066 -8.613 16.417 1.00 70.01 N ATOM 974 CA THR A 383 12.183 -7.942 17.018 1.00 41.45 C ATOM 975 C THR A 383 13.010 -7.322 15.877 1.00 72.34 C ATOM 976 O THR A 383 12.957 -7.816 14.721 1.00 71.34 O ATOM 977 CB THR A 383 13.028 -8.920 17.852 1.00 21.11 C ATOM 978 OG1 THR A 383 12.145 -9.812 18.540 1.00 73.24 O ATOM 979 CG2 THR A 383 13.877 -8.182 18.875 1.00 15.44 C ATOM 0 H THR A 383 11.199 -9.610 16.247 1.00 70.01 H new ATOM 0 HA THR A 383 11.842 -7.166 17.703 1.00 41.45 H new ATOM 0 HB THR A 383 13.694 -9.465 17.183 1.00 21.11 H new ATOM 0 HG1 THR A 383 11.860 -10.525 17.931 1.00 73.24 H new ATOM 0 HG21 THR A 383 14.462 -8.901 19.448 1.00 15.44 H new ATOM 0 HG22 THR A 383 14.549 -7.494 18.362 1.00 15.44 H new ATOM 0 HG23 THR A 383 13.229 -7.622 19.549 1.00 15.44 H new ATOM 987 N HIS A 384 13.794 -6.283 16.194 1.00 11.13 N ATOM 988 CA HIS A 384 14.484 -5.470 15.194 1.00 22.50 C ATOM 989 C HIS A 384 15.361 -6.338 14.345 1.00 44.45 C ATOM 990 O HIS A 384 15.422 -6.187 13.130 1.00 60.45 O ATOM 991 CB HIS A 384 15.301 -4.343 15.875 1.00 51.54 C ATOM 992 CG HIS A 384 15.987 -3.423 14.921 1.00 54.44 C ATOM 993 ND1 HIS A 384 15.333 -2.491 14.166 1.00 41.11 N ATOM 994 CD2 HIS A 384 17.297 -3.290 14.629 1.00 5.42 C ATOM 995 CE1 HIS A 384 16.243 -1.830 13.459 1.00 72.34 C ATOM 996 NE2 HIS A 384 17.453 -2.275 13.704 1.00 32.12 N ATOM 0 H HIS A 384 13.965 -5.985 17.154 1.00 11.13 H new ATOM 0 HA HIS A 384 13.743 -4.997 14.550 1.00 22.50 H new ATOM 0 HB2 HIS A 384 14.634 -3.759 16.510 1.00 51.54 H new ATOM 0 HB3 HIS A 384 16.048 -4.795 16.528 1.00 51.54 H new ATOM 0 HD1 HIS A 384 14.326 -2.331 14.148 1.00 41.11 H new ATOM 0 HD2 HIS A 384 18.096 -3.882 15.050 1.00 5.42 H new ATOM 0 HE1 HIS A 384 16.016 -1.029 12.771 1.00 72.34 H new ATOM 1004 N GLU A 385 15.989 -7.244 14.995 1.00 45.01 N ATOM 1005 CA GLU A 385 16.821 -8.209 14.404 1.00 40.31 C ATOM 1006 C GLU A 385 16.148 -9.012 13.313 1.00 63.35 C ATOM 1007 O GLU A 385 16.714 -9.136 12.229 1.00 3.42 O ATOM 1008 CB GLU A 385 17.425 -9.109 15.452 1.00 54.15 C ATOM 1009 CG GLU A 385 18.487 -8.443 16.297 1.00 71.10 C ATOM 1010 CD GLU A 385 17.947 -7.639 17.482 1.00 4.05 C ATOM 1011 OE1 GLU A 385 17.207 -6.657 17.283 1.00 44.31 O ATOM 1012 OE2 GLU A 385 18.258 -7.997 18.639 1.00 71.31 O ATOM 0 H GLU A 385 15.930 -7.333 16.009 1.00 45.01 H new ATOM 0 HA GLU A 385 17.619 -7.656 13.909 1.00 40.31 H new ATOM 0 HB2 GLU A 385 16.631 -9.473 16.105 1.00 54.15 H new ATOM 0 HB3 GLU A 385 17.859 -9.980 14.962 1.00 54.15 H new ATOM 0 HG2 GLU A 385 19.166 -9.208 16.673 1.00 71.10 H new ATOM 0 HG3 GLU A 385 19.075 -7.780 15.662 1.00 71.10 H new ATOM 1019 N GLU A 386 14.936 -9.507 13.540 1.00 12.42 N ATOM 1020 CA GLU A 386 14.290 -10.319 12.541 1.00 73.13 C ATOM 1021 C GLU A 386 13.875 -9.467 11.409 1.00 10.34 C ATOM 1022 O GLU A 386 13.898 -9.890 10.265 1.00 53.42 O ATOM 1023 CB GLU A 386 13.071 -11.051 13.055 1.00 52.32 C ATOM 1024 CG GLU A 386 13.308 -11.970 14.211 1.00 73.32 C ATOM 1025 CD GLU A 386 13.256 -11.248 15.518 1.00 33.25 C ATOM 1026 OE1 GLU A 386 14.290 -10.727 15.949 1.00 12.24 O ATOM 1027 OE2 GLU A 386 12.149 -11.146 16.103 1.00 12.05 O ATOM 0 H GLU A 386 14.397 -9.359 14.393 1.00 12.42 H new ATOM 0 HA GLU A 386 15.020 -11.069 12.236 1.00 73.13 H new ATOM 0 HB2 GLU A 386 12.323 -10.314 13.348 1.00 52.32 H new ATOM 0 HB3 GLU A 386 12.645 -11.630 12.236 1.00 52.32 H new ATOM 0 HG2 GLU A 386 12.559 -12.762 14.204 1.00 73.32 H new ATOM 0 HG3 GLU A 386 14.281 -12.450 14.100 1.00 73.32 H new ATOM 1034 N ALA A 387 13.543 -8.249 11.736 1.00 45.10 N ATOM 1035 CA ALA A 387 13.113 -7.298 10.767 1.00 73.21 C ATOM 1036 C ALA A 387 14.242 -7.011 9.822 1.00 33.01 C ATOM 1037 O ALA A 387 14.132 -7.277 8.637 1.00 61.12 O ATOM 1038 CB ALA A 387 12.647 -6.032 11.435 1.00 23.21 C ATOM 0 H ALA A 387 13.566 -7.892 12.691 1.00 45.10 H new ATOM 0 HA ALA A 387 12.272 -7.710 10.209 1.00 73.21 H new ATOM 0 HB1 ALA A 387 12.323 -5.319 10.677 1.00 23.21 H new ATOM 0 HB2 ALA A 387 11.814 -6.257 12.101 1.00 23.21 H new ATOM 0 HB3 ALA A 387 13.466 -5.602 12.011 1.00 23.21 H new ATOM 1044 N VAL A 388 15.368 -6.556 10.365 1.00 31.15 N ATOM 1045 CA VAL A 388 16.507 -6.208 9.543 1.00 31.30 C ATOM 1046 C VAL A 388 17.000 -7.416 8.781 1.00 61.11 C ATOM 1047 O VAL A 388 17.295 -7.329 7.600 1.00 31.45 O ATOM 1048 CB VAL A 388 17.677 -5.611 10.337 1.00 74.53 C ATOM 1049 CG1 VAL A 388 18.741 -5.098 9.394 1.00 51.15 C ATOM 1050 CG2 VAL A 388 17.218 -4.513 11.254 1.00 61.03 C ATOM 0 H VAL A 388 15.509 -6.423 11.366 1.00 31.15 H new ATOM 0 HA VAL A 388 16.151 -5.439 8.857 1.00 31.30 H new ATOM 0 HB VAL A 388 18.100 -6.403 10.954 1.00 74.53 H new ATOM 0 HG11 VAL A 388 19.565 -4.677 9.970 1.00 51.15 H new ATOM 0 HG12 VAL A 388 19.110 -5.920 8.780 1.00 51.15 H new ATOM 0 HG13 VAL A 388 18.316 -4.327 8.751 1.00 51.15 H new ATOM 0 HG21 VAL A 388 18.073 -4.114 11.800 1.00 61.03 H new ATOM 0 HG22 VAL A 388 16.758 -3.717 10.667 1.00 61.03 H new ATOM 0 HG23 VAL A 388 16.489 -4.910 11.961 1.00 61.03 H new ATOM 1060 N THR A 389 17.039 -8.541 9.449 1.00 21.14 N ATOM 1061 CA THR A 389 17.470 -9.780 8.857 1.00 62.44 C ATOM 1062 C THR A 389 16.542 -10.202 7.684 1.00 50.04 C ATOM 1063 O THR A 389 17.019 -10.728 6.668 1.00 42.11 O ATOM 1064 CB THR A 389 17.605 -10.879 9.962 1.00 22.33 C ATOM 1065 OG1 THR A 389 18.609 -10.457 10.893 1.00 12.22 O ATOM 1066 CG2 THR A 389 17.987 -12.236 9.389 1.00 34.32 C ATOM 0 H THR A 389 16.769 -8.622 10.429 1.00 21.14 H new ATOM 0 HA THR A 389 18.457 -9.642 8.415 1.00 62.44 H new ATOM 0 HB THR A 389 16.636 -10.997 10.447 1.00 22.33 H new ATOM 0 HG1 THR A 389 18.202 -9.882 11.574 1.00 12.22 H new ATOM 0 HG21 THR A 389 18.068 -12.963 10.197 1.00 34.32 H new ATOM 0 HG22 THR A 389 17.222 -12.561 8.684 1.00 34.32 H new ATOM 0 HG23 THR A 389 18.945 -12.157 8.875 1.00 34.32 H new ATOM 1074 N ALA A 390 15.254 -9.906 7.796 1.00 44.45 N ATOM 1075 CA ALA A 390 14.305 -10.208 6.740 1.00 41.41 C ATOM 1076 C ALA A 390 14.563 -9.338 5.512 1.00 32.14 C ATOM 1077 O ALA A 390 14.428 -9.802 4.387 1.00 31.15 O ATOM 1078 CB ALA A 390 12.871 -10.047 7.228 1.00 71.50 C ATOM 0 H ALA A 390 14.844 -9.455 8.613 1.00 44.45 H new ATOM 0 HA ALA A 390 14.445 -11.250 6.453 1.00 41.41 H new ATOM 0 HB1 ALA A 390 12.182 -10.280 6.416 1.00 71.50 H new ATOM 0 HB2 ALA A 390 12.692 -10.726 8.062 1.00 71.50 H new ATOM 0 HB3 ALA A 390 12.711 -9.020 7.556 1.00 71.50 H new ATOM 1084 N LEU A 391 14.945 -8.074 5.721 1.00 34.34 N ATOM 1085 CA LEU A 391 15.252 -7.227 4.579 1.00 52.31 C ATOM 1086 C LEU A 391 16.645 -7.518 4.052 1.00 32.35 C ATOM 1087 O LEU A 391 16.903 -7.367 2.875 1.00 52.11 O ATOM 1088 CB LEU A 391 15.118 -5.710 4.826 1.00 61.35 C ATOM 1089 CG LEU A 391 13.766 -5.140 5.239 1.00 12.01 C ATOM 1090 CD1 LEU A 391 13.602 -5.101 6.727 1.00 11.23 C ATOM 1091 CD2 LEU A 391 13.542 -3.784 4.625 1.00 24.11 C ATOM 0 H LEU A 391 15.045 -7.633 6.635 1.00 34.34 H new ATOM 0 HA LEU A 391 14.490 -7.484 3.844 1.00 52.31 H new ATOM 0 HB2 LEU A 391 15.838 -5.439 5.598 1.00 61.35 H new ATOM 0 HB3 LEU A 391 15.423 -5.201 3.912 1.00 61.35 H new ATOM 0 HG LEU A 391 13.000 -5.814 4.855 1.00 12.01 H new ATOM 0 HD11 LEU A 391 12.624 -4.688 6.975 1.00 11.23 H new ATOM 0 HD12 LEU A 391 13.681 -6.111 7.128 1.00 11.23 H new ATOM 0 HD13 LEU A 391 14.381 -4.476 7.163 1.00 11.23 H new ATOM 0 HD21 LEU A 391 12.570 -3.400 4.936 1.00 24.11 H new ATOM 0 HD22 LEU A 391 14.325 -3.101 4.956 1.00 24.11 H new ATOM 0 HD23 LEU A 391 13.569 -3.868 3.539 1.00 24.11 H new ATOM 1103 N LYS A 392 17.556 -7.887 4.940 1.00 24.34 N ATOM 1104 CA LYS A 392 18.901 -8.239 4.529 1.00 22.13 C ATOM 1105 C LYS A 392 18.941 -9.479 3.674 1.00 2.54 C ATOM 1106 O LYS A 392 19.734 -9.567 2.740 1.00 60.54 O ATOM 1107 CB LYS A 392 19.873 -8.339 5.693 1.00 60.44 C ATOM 1108 CG LYS A 392 20.146 -6.994 6.301 1.00 71.42 C ATOM 1109 CD LYS A 392 21.326 -7.002 7.218 1.00 14.44 C ATOM 1110 CE LYS A 392 21.724 -5.581 7.554 1.00 53.31 C ATOM 1111 NZ LYS A 392 22.319 -4.843 6.393 1.00 31.23 N ATOM 0 H LYS A 392 17.387 -7.949 5.944 1.00 24.34 H new ATOM 0 HA LYS A 392 19.238 -7.408 3.909 1.00 22.13 H new ATOM 0 HB2 LYS A 392 19.465 -9.006 6.452 1.00 60.44 H new ATOM 0 HB3 LYS A 392 20.809 -8.781 5.350 1.00 60.44 H new ATOM 0 HG2 LYS A 392 20.315 -6.268 5.505 1.00 71.42 H new ATOM 0 HG3 LYS A 392 19.265 -6.664 6.852 1.00 71.42 H new ATOM 0 HD2 LYS A 392 21.085 -7.547 8.131 1.00 14.44 H new ATOM 0 HD3 LYS A 392 22.161 -7.521 6.747 1.00 14.44 H new ATOM 0 HE2 LYS A 392 20.847 -5.040 7.909 1.00 53.31 H new ATOM 0 HE3 LYS A 392 22.443 -5.596 8.373 1.00 53.31 H new ATOM 0 HZ1 LYS A 392 22.445 -3.842 6.646 1.00 31.23 H new ATOM 0 HZ2 LYS A 392 23.242 -5.258 6.154 1.00 31.23 H new ATOM 0 HZ3 LYS A 392 21.684 -4.916 5.573 1.00 31.23 H new ATOM 1125 N ASN A 393 18.074 -10.423 3.967 1.00 74.40 N ATOM 1126 CA ASN A 393 17.980 -11.629 3.179 1.00 45.45 C ATOM 1127 C ASN A 393 17.110 -11.412 1.961 1.00 4.33 C ATOM 1128 O ASN A 393 16.037 -11.997 1.818 1.00 63.01 O ATOM 1129 CB ASN A 393 17.493 -12.827 4.000 1.00 20.51 C ATOM 1130 CG ASN A 393 18.554 -13.407 4.913 1.00 61.53 C ATOM 1131 OD1 ASN A 393 19.301 -14.296 4.533 1.00 51.04 O ATOM 1132 ND2 ASN A 393 18.623 -12.923 6.118 1.00 25.41 N ATOM 0 H ASN A 393 17.421 -10.377 4.750 1.00 74.40 H new ATOM 0 HA ASN A 393 18.989 -11.869 2.842 1.00 45.45 H new ATOM 0 HB2 ASN A 393 16.636 -12.521 4.600 1.00 20.51 H new ATOM 0 HB3 ASN A 393 17.145 -13.605 3.321 1.00 20.51 H new ATOM 0 HD21 ASN A 393 19.314 -13.286 6.774 1.00 25.41 H new ATOM 0 HD22 ASN A 393 17.986 -12.181 6.407 1.00 25.41 H new ATOM 1139 N THR A 394 17.549 -10.518 1.126 1.00 11.12 N ATOM 1140 CA THR A 394 16.905 -10.225 -0.105 1.00 65.25 C ATOM 1141 C THR A 394 17.956 -10.209 -1.171 1.00 44.34 C ATOM 1142 O THR A 394 19.120 -9.872 -0.903 1.00 63.23 O ATOM 1143 CB THR A 394 16.194 -8.855 -0.086 1.00 21.22 C ATOM 1144 OG1 THR A 394 17.105 -7.820 0.290 1.00 51.44 O ATOM 1145 CG2 THR A 394 14.988 -8.854 0.836 1.00 22.24 C ATOM 0 H THR A 394 18.387 -9.962 1.293 1.00 11.12 H new ATOM 0 HA THR A 394 16.143 -10.983 -0.288 1.00 65.25 H new ATOM 0 HB THR A 394 15.836 -8.663 -1.098 1.00 21.22 H new ATOM 0 HG1 THR A 394 17.269 -7.863 1.255 1.00 51.44 H new ATOM 0 HG21 THR A 394 14.518 -7.871 0.819 1.00 22.24 H new ATOM 0 HG22 THR A 394 14.272 -9.604 0.500 1.00 22.24 H new ATOM 0 HG23 THR A 394 15.307 -9.086 1.852 1.00 22.24 H new ATOM 1153 N SER A 395 17.603 -10.558 -2.354 1.00 33.43 N ATOM 1154 CA SER A 395 18.596 -10.582 -3.382 1.00 43.03 C ATOM 1155 C SER A 395 18.073 -10.109 -4.693 1.00 42.33 C ATOM 1156 O SER A 395 17.316 -10.794 -5.369 1.00 72.01 O ATOM 1157 CB SER A 395 19.247 -11.965 -3.482 1.00 3.25 C ATOM 1158 OG SER A 395 18.255 -12.973 -3.623 1.00 34.34 O ATOM 0 H SER A 395 16.661 -10.826 -2.638 1.00 33.43 H new ATOM 0 HA SER A 395 19.372 -9.871 -3.098 1.00 43.03 H new ATOM 0 HB2 SER A 395 19.926 -11.993 -4.334 1.00 3.25 H new ATOM 0 HB3 SER A 395 19.845 -12.157 -2.591 1.00 3.25 H new ATOM 0 HG SER A 395 17.507 -12.624 -4.151 1.00 34.34 H new ATOM 1164 N ASP A 396 18.418 -8.869 -4.954 1.00 64.23 N ATOM 1165 CA ASP A 396 18.254 -8.165 -6.217 1.00 33.11 C ATOM 1166 C ASP A 396 16.796 -7.990 -6.635 1.00 52.50 C ATOM 1167 O ASP A 396 16.480 -7.477 -7.698 1.00 23.34 O ATOM 1168 CB ASP A 396 19.182 -8.797 -7.269 1.00 53.15 C ATOM 1169 CG ASP A 396 20.645 -8.766 -6.763 1.00 45.14 C ATOM 1170 OD1 ASP A 396 20.993 -9.564 -5.814 1.00 71.31 O ATOM 1171 OD2 ASP A 396 21.422 -7.923 -7.195 1.00 34.31 O ATOM 0 H ASP A 396 18.851 -8.280 -4.243 1.00 64.23 H new ATOM 0 HA ASP A 396 18.572 -7.129 -6.098 1.00 33.11 H new ATOM 0 HB2 ASP A 396 18.877 -9.825 -7.466 1.00 53.15 H new ATOM 0 HB3 ASP A 396 19.102 -8.255 -8.211 1.00 53.15 H new ATOM 1176 N PHE A 397 15.926 -8.360 -5.735 1.00 12.34 N ATOM 1177 CA PHE A 397 14.525 -8.183 -5.861 1.00 61.41 C ATOM 1178 C PHE A 397 13.985 -8.084 -4.443 1.00 24.13 C ATOM 1179 O PHE A 397 14.153 -9.001 -3.640 1.00 35.30 O ATOM 1180 CB PHE A 397 13.897 -9.373 -6.602 1.00 54.54 C ATOM 1181 CG PHE A 397 12.461 -9.170 -7.018 1.00 52.12 C ATOM 1182 CD1 PHE A 397 11.415 -9.378 -6.127 1.00 2.12 C ATOM 1183 CD2 PHE A 397 12.163 -8.774 -8.310 1.00 4.12 C ATOM 1184 CE1 PHE A 397 10.105 -9.188 -6.522 1.00 64.33 C ATOM 1185 CE2 PHE A 397 10.857 -8.586 -8.710 1.00 23.40 C ATOM 1186 CZ PHE A 397 9.827 -8.791 -7.817 1.00 51.44 C ATOM 0 H PHE A 397 16.197 -8.811 -4.861 1.00 12.34 H new ATOM 0 HA PHE A 397 14.285 -7.290 -6.438 1.00 61.41 H new ATOM 0 HB2 PHE A 397 14.492 -9.585 -7.490 1.00 54.54 H new ATOM 0 HB3 PHE A 397 13.955 -10.253 -5.962 1.00 54.54 H new ATOM 0 HD1 PHE A 397 11.628 -9.691 -5.116 1.00 2.12 H new ATOM 0 HD2 PHE A 397 12.965 -8.610 -9.015 1.00 4.12 H new ATOM 0 HE1 PHE A 397 9.300 -9.349 -5.821 1.00 64.33 H new ATOM 0 HE2 PHE A 397 10.641 -8.278 -9.722 1.00 23.40 H new ATOM 0 HZ PHE A 397 8.804 -8.642 -8.129 1.00 51.44 H new ATOM 1196 N VAL A 398 13.458 -6.949 -4.115 1.00 52.33 N ATOM 1197 CA VAL A 398 12.899 -6.692 -2.816 1.00 74.00 C ATOM 1198 C VAL A 398 11.512 -6.146 -2.998 1.00 73.43 C ATOM 1199 O VAL A 398 11.344 -5.070 -3.558 1.00 55.40 O ATOM 1200 CB VAL A 398 13.703 -5.606 -2.053 1.00 55.25 C ATOM 1201 CG1 VAL A 398 13.139 -5.379 -0.659 1.00 33.45 C ATOM 1202 CG2 VAL A 398 15.183 -5.921 -1.992 1.00 64.11 C ATOM 0 H VAL A 398 13.400 -6.154 -4.752 1.00 52.33 H new ATOM 0 HA VAL A 398 12.917 -7.625 -2.253 1.00 74.00 H new ATOM 0 HB VAL A 398 13.595 -4.681 -2.620 1.00 55.25 H new ATOM 0 HG11 VAL A 398 13.724 -4.613 -0.150 1.00 33.45 H new ATOM 0 HG12 VAL A 398 12.102 -5.053 -0.735 1.00 33.45 H new ATOM 0 HG13 VAL A 398 13.187 -6.308 -0.091 1.00 33.45 H new ATOM 0 HG21 VAL A 398 15.701 -5.131 -1.448 1.00 64.11 H new ATOM 0 HG22 VAL A 398 15.332 -6.872 -1.480 1.00 64.11 H new ATOM 0 HG23 VAL A 398 15.583 -5.987 -3.004 1.00 64.11 H new ATOM 1212 N TYR A 399 10.530 -6.864 -2.589 1.00 51.01 N ATOM 1213 CA TYR A 399 9.204 -6.328 -2.635 1.00 5.14 C ATOM 1214 C TYR A 399 8.903 -5.736 -1.260 1.00 55.05 C ATOM 1215 O TYR A 399 8.531 -6.435 -0.340 1.00 23.02 O ATOM 1216 CB TYR A 399 8.218 -7.437 -3.006 1.00 12.41 C ATOM 1217 CG TYR A 399 6.836 -6.967 -3.368 1.00 25.24 C ATOM 1218 CD1 TYR A 399 6.610 -6.318 -4.572 1.00 23.45 C ATOM 1219 CD2 TYR A 399 5.755 -7.200 -2.531 1.00 23.30 C ATOM 1220 CE1 TYR A 399 5.351 -5.912 -4.938 1.00 2.03 C ATOM 1221 CE2 TYR A 399 4.486 -6.793 -2.883 1.00 0.10 C ATOM 1222 CZ TYR A 399 4.285 -6.151 -4.087 1.00 34.00 C ATOM 1223 OH TYR A 399 3.017 -5.764 -4.446 1.00 72.01 O ATOM 0 H TYR A 399 10.608 -7.812 -2.222 1.00 51.01 H new ATOM 0 HA TYR A 399 9.111 -5.548 -3.391 1.00 5.14 H new ATOM 0 HB2 TYR A 399 8.626 -7.998 -3.847 1.00 12.41 H new ATOM 0 HB3 TYR A 399 8.142 -8.129 -2.168 1.00 12.41 H new ATOM 0 HD1 TYR A 399 7.441 -6.128 -5.235 1.00 23.45 H new ATOM 0 HD2 TYR A 399 5.910 -7.707 -1.590 1.00 23.30 H new ATOM 0 HE1 TYR A 399 5.193 -5.411 -5.881 1.00 2.03 H new ATOM 0 HE2 TYR A 399 3.654 -6.976 -2.220 1.00 0.10 H new ATOM 0 HH TYR A 399 2.387 -6.008 -3.736 1.00 72.01 H new ATOM 1233 N LEU A 400 9.112 -4.469 -1.128 1.00 71.04 N ATOM 1234 CA LEU A 400 8.945 -3.786 0.127 1.00 71.34 C ATOM 1235 C LEU A 400 7.538 -3.291 0.250 1.00 30.43 C ATOM 1236 O LEU A 400 6.954 -2.811 -0.713 1.00 65.20 O ATOM 1237 CB LEU A 400 10.000 -2.663 0.275 1.00 2.35 C ATOM 1238 CG LEU A 400 9.912 -1.728 1.506 1.00 72.32 C ATOM 1239 CD1 LEU A 400 11.293 -1.191 1.816 1.00 15.35 C ATOM 1240 CD2 LEU A 400 9.013 -0.539 1.191 1.00 54.45 C ATOM 0 H LEU A 400 9.408 -3.864 -1.894 1.00 71.04 H new ATOM 0 HA LEU A 400 9.114 -4.477 0.953 1.00 71.34 H new ATOM 0 HB2 LEU A 400 10.984 -3.131 0.283 1.00 2.35 H new ATOM 0 HB3 LEU A 400 9.950 -2.041 -0.619 1.00 2.35 H new ATOM 0 HG LEU A 400 9.511 -2.290 2.349 1.00 72.32 H new ATOM 0 HD11 LEU A 400 11.241 -0.531 2.682 1.00 15.35 H new ATOM 0 HD12 LEU A 400 11.966 -2.021 2.032 1.00 15.35 H new ATOM 0 HD13 LEU A 400 11.668 -0.634 0.957 1.00 15.35 H new ATOM 0 HD21 LEU A 400 8.956 0.114 2.061 1.00 54.45 H new ATOM 0 HD22 LEU A 400 9.425 0.015 0.348 1.00 54.45 H new ATOM 0 HD23 LEU A 400 8.014 -0.895 0.938 1.00 54.45 H new ATOM 1252 N LYS A 401 6.994 -3.422 1.412 1.00 73.25 N ATOM 1253 CA LYS A 401 5.646 -3.065 1.639 1.00 51.14 C ATOM 1254 C LYS A 401 5.595 -2.108 2.821 1.00 14.11 C ATOM 1255 O LYS A 401 5.909 -2.493 3.945 1.00 20.22 O ATOM 1256 CB LYS A 401 4.886 -4.343 1.937 1.00 72.53 C ATOM 1257 CG LYS A 401 3.397 -4.271 1.774 1.00 70.24 C ATOM 1258 CD LYS A 401 2.790 -5.613 2.116 1.00 54.40 C ATOM 1259 CE LYS A 401 1.335 -5.682 1.743 1.00 45.43 C ATOM 1260 NZ LYS A 401 1.136 -5.676 0.272 1.00 24.15 N ATOM 0 H LYS A 401 7.480 -3.783 2.233 1.00 73.25 H new ATOM 0 HA LYS A 401 5.201 -2.570 0.776 1.00 51.14 H new ATOM 0 HB2 LYS A 401 5.266 -5.130 1.285 1.00 72.53 H new ATOM 0 HB3 LYS A 401 5.106 -4.644 2.961 1.00 72.53 H new ATOM 0 HG2 LYS A 401 2.986 -3.497 2.423 1.00 70.24 H new ATOM 0 HG3 LYS A 401 3.145 -3.996 0.750 1.00 70.24 H new ATOM 0 HD2 LYS A 401 3.336 -6.401 1.597 1.00 54.40 H new ATOM 0 HD3 LYS A 401 2.900 -5.800 3.184 1.00 54.40 H new ATOM 0 HE2 LYS A 401 0.895 -6.586 2.164 1.00 45.43 H new ATOM 0 HE3 LYS A 401 0.808 -4.836 2.183 1.00 45.43 H new ATOM 0 HZ1 LYS A 401 0.366 -6.330 0.023 1.00 24.15 H new ATOM 0 HZ2 LYS A 401 0.889 -4.715 -0.041 1.00 24.15 H new ATOM 0 HZ3 LYS A 401 2.013 -5.979 -0.198 1.00 24.15 H new ATOM 1274 N VAL A 402 5.253 -0.875 2.546 1.00 31.13 N ATOM 1275 CA VAL A 402 5.169 0.183 3.544 1.00 0.32 C ATOM 1276 C VAL A 402 3.710 0.674 3.695 1.00 11.24 C ATOM 1277 O VAL A 402 2.901 0.660 2.721 1.00 21.50 O ATOM 1278 CB VAL A 402 6.140 1.401 3.184 1.00 23.04 C ATOM 1279 CG1 VAL A 402 6.033 1.800 1.736 1.00 61.13 C ATOM 1280 CG2 VAL A 402 5.857 2.629 4.029 1.00 34.10 C ATOM 0 H VAL A 402 5.018 -0.563 1.604 1.00 31.13 H new ATOM 0 HA VAL A 402 5.496 -0.231 4.498 1.00 0.32 H new ATOM 0 HB VAL A 402 7.146 1.037 3.393 1.00 23.04 H new ATOM 0 HG11 VAL A 402 6.710 2.631 1.537 1.00 61.13 H new ATOM 0 HG12 VAL A 402 6.302 0.953 1.104 1.00 61.13 H new ATOM 0 HG13 VAL A 402 5.010 2.105 1.517 1.00 61.13 H new ATOM 0 HG21 VAL A 402 6.541 3.430 3.748 1.00 34.10 H new ATOM 0 HG22 VAL A 402 4.830 2.955 3.864 1.00 34.10 H new ATOM 0 HG23 VAL A 402 5.996 2.386 5.082 1.00 34.10 H new ATOM 1290 N ALA A 403 3.373 1.039 4.901 1.00 4.12 N ATOM 1291 CA ALA A 403 2.118 1.635 5.246 1.00 41.03 C ATOM 1292 C ALA A 403 2.434 2.769 6.191 1.00 75.51 C ATOM 1293 O ALA A 403 3.412 2.699 6.896 1.00 25.23 O ATOM 1294 CB ALA A 403 1.206 0.618 5.915 1.00 40.13 C ATOM 0 H ALA A 403 3.994 0.923 5.702 1.00 4.12 H new ATOM 0 HA ALA A 403 1.595 1.994 4.359 1.00 41.03 H new ATOM 0 HB1 ALA A 403 0.258 1.091 6.169 1.00 40.13 H new ATOM 0 HB2 ALA A 403 1.026 -0.213 5.233 1.00 40.13 H new ATOM 0 HB3 ALA A 403 1.680 0.246 6.823 1.00 40.13 H new ATOM 1300 N LYS A 404 1.676 3.816 6.171 1.00 2.33 N ATOM 1301 CA LYS A 404 1.935 4.908 7.084 1.00 25.22 C ATOM 1302 C LYS A 404 1.045 4.751 8.317 1.00 23.54 C ATOM 1303 O LYS A 404 0.021 4.059 8.232 1.00 35.41 O ATOM 1304 CB LYS A 404 1.816 6.302 6.394 1.00 13.43 C ATOM 1305 CG LYS A 404 2.929 6.579 5.353 1.00 61.35 C ATOM 1306 CD LYS A 404 2.672 5.893 4.008 1.00 30.21 C ATOM 1307 CE LYS A 404 3.936 5.795 3.138 1.00 53.05 C ATOM 1308 NZ LYS A 404 4.664 7.079 2.969 1.00 15.04 N ATOM 0 H LYS A 404 0.881 3.949 5.546 1.00 2.33 H new ATOM 0 HA LYS A 404 2.973 4.863 7.415 1.00 25.22 H new ATOM 0 HB2 LYS A 404 0.846 6.373 5.903 1.00 13.43 H new ATOM 0 HB3 LYS A 404 1.844 7.079 7.158 1.00 13.43 H new ATOM 0 HG2 LYS A 404 3.013 7.654 5.196 1.00 61.35 H new ATOM 0 HG3 LYS A 404 3.885 6.239 5.752 1.00 61.35 H new ATOM 0 HD2 LYS A 404 2.280 4.892 4.185 1.00 30.21 H new ATOM 0 HD3 LYS A 404 1.904 6.444 3.465 1.00 30.21 H new ATOM 0 HE2 LYS A 404 4.612 5.063 3.581 1.00 53.05 H new ATOM 0 HE3 LYS A 404 3.657 5.417 2.154 1.00 53.05 H new ATOM 0 HZ1 LYS A 404 5.266 7.028 2.122 1.00 15.04 H new ATOM 0 HZ2 LYS A 404 3.980 7.855 2.861 1.00 15.04 H new ATOM 0 HZ3 LYS A 404 5.257 7.254 3.805 1.00 15.04 H new ATOM 1538 N ASN B 147 18.244 1.328 18.321 1.00 72.32 N ATOM 1539 CA ASN B 147 19.194 1.837 17.357 1.00 22.44 C ATOM 1540 C ASN B 147 18.805 1.423 15.964 1.00 11.50 C ATOM 1541 O ASN B 147 17.911 0.589 15.793 1.00 52.22 O ATOM 1542 CB ASN B 147 20.663 1.437 17.702 1.00 64.44 C ATOM 1543 CG ASN B 147 21.043 -0.062 17.650 1.00 34.22 C ATOM 1544 OD1 ASN B 147 21.869 -0.512 18.438 1.00 55.55 O ATOM 1545 ND2 ASN B 147 20.522 -0.818 16.718 1.00 52.14 N ATOM 0 HA ASN B 147 19.163 2.926 17.404 1.00 22.44 H new ATOM 0 HB2 ASN B 147 21.323 1.972 17.019 1.00 64.44 H new ATOM 0 HB3 ASN B 147 20.880 1.801 18.706 1.00 64.44 H new ATOM 0 HD21 ASN B 147 20.801 -1.796 16.639 1.00 52.14 H new ATOM 0 HD22 ASN B 147 19.836 -0.430 16.070 1.00 52.14 H new ATOM 1552 N GLU B 148 19.469 1.974 14.989 1.00 55.20 N ATOM 1553 CA GLU B 148 19.163 1.708 13.611 1.00 63.33 C ATOM 1554 C GLU B 148 20.040 0.618 13.042 1.00 52.03 C ATOM 1555 O GLU B 148 20.999 0.171 13.679 1.00 4.14 O ATOM 1556 CB GLU B 148 19.237 2.999 12.738 1.00 12.11 C ATOM 1557 CG GLU B 148 20.600 3.748 12.688 1.00 70.12 C ATOM 1558 CD GLU B 148 21.754 2.954 12.061 1.00 11.24 C ATOM 1559 OE1 GLU B 148 21.788 2.763 10.817 1.00 52.41 O ATOM 1560 OE2 GLU B 148 22.625 2.482 12.796 1.00 74.40 O ATOM 0 H GLU B 148 20.243 2.624 15.127 1.00 55.20 H new ATOM 0 HA GLU B 148 18.133 1.352 13.583 1.00 63.33 H new ATOM 0 HB2 GLU B 148 18.960 2.733 11.718 1.00 12.11 H new ATOM 0 HB3 GLU B 148 18.482 3.696 13.101 1.00 12.11 H new ATOM 0 HG2 GLU B 148 20.469 4.673 12.127 1.00 70.12 H new ATOM 0 HG3 GLU B 148 20.881 4.028 13.703 1.00 70.12 H new ATOM 1567 N THR B 149 19.663 0.130 11.909 1.00 20.10 N ATOM 1568 CA THR B 149 20.519 -0.692 11.131 1.00 52.12 C ATOM 1569 C THR B 149 20.262 -0.445 9.662 1.00 72.32 C ATOM 1570 O THR B 149 19.108 -0.509 9.204 1.00 44.25 O ATOM 1571 CB THR B 149 20.369 -2.192 11.423 1.00 72.13 C ATOM 1572 OG1 THR B 149 20.541 -2.422 12.805 1.00 75.05 O ATOM 1573 CG2 THR B 149 21.445 -2.970 10.671 1.00 23.43 C ATOM 0 H THR B 149 18.745 0.293 11.496 1.00 20.10 H new ATOM 0 HA THR B 149 21.538 -0.418 11.404 1.00 52.12 H new ATOM 0 HB THR B 149 19.378 -2.518 11.106 1.00 72.13 H new ATOM 0 HG1 THR B 149 19.668 -2.408 13.250 1.00 75.05 H new ATOM 0 HG21 THR B 149 21.337 -4.034 10.879 1.00 23.43 H new ATOM 0 HG22 THR B 149 21.338 -2.797 9.600 1.00 23.43 H new ATOM 0 HG23 THR B 149 22.430 -2.635 10.996 1.00 23.43 H new ATOM 1581 N GLN B 150 21.313 -0.089 8.956 1.00 33.44 N ATOM 1582 CA GLN B 150 21.267 0.027 7.521 1.00 10.02 C ATOM 1583 C GLN B 150 21.095 -1.361 6.929 1.00 20.03 C ATOM 1584 O GLN B 150 21.825 -2.311 7.309 1.00 45.24 O ATOM 1585 CB GLN B 150 22.559 0.642 6.983 1.00 3.14 C ATOM 1586 CG GLN B 150 22.596 0.734 5.463 1.00 1.11 C ATOM 1587 CD GLN B 150 23.965 1.080 4.919 1.00 4.13 C ATOM 1588 OE1 GLN B 150 24.751 1.773 5.560 1.00 60.25 O ATOM 1589 NE2 GLN B 150 24.272 0.576 3.747 1.00 0.32 N ATOM 0 H GLN B 150 22.222 0.128 9.364 1.00 33.44 H new ATOM 0 HA GLN B 150 20.434 0.673 7.243 1.00 10.02 H new ATOM 0 HB2 GLN B 150 22.680 1.640 7.403 1.00 3.14 H new ATOM 0 HB3 GLN B 150 23.406 0.047 7.325 1.00 3.14 H new ATOM 0 HG2 GLN B 150 22.274 -0.218 5.040 1.00 1.11 H new ATOM 0 HG3 GLN B 150 21.880 1.487 5.134 1.00 1.11 H new ATOM 0 HE21 GLN B 150 23.593 0.005 3.244 1.00 0.32 H new ATOM 0 HE22 GLN B 150 25.190 0.755 3.339 1.00 0.32 H new ATOM 1598 N VAL B 151 20.150 -1.496 6.052 1.00 74.51 N ATOM 1599 CA VAL B 151 19.917 -2.747 5.396 1.00 30.32 C ATOM 1600 C VAL B 151 20.774 -2.821 4.155 1.00 24.04 C ATOM 1601 O VAL B 151 21.722 -3.627 4.165 1.00 35.42 O ATOM 1602 CB VAL B 151 18.457 -2.990 4.995 1.00 12.40 C ATOM 1603 CG1 VAL B 151 18.285 -4.440 4.654 1.00 72.33 C ATOM 1604 CG2 VAL B 151 17.483 -2.551 6.078 1.00 4.14 C ATOM 1605 OXT VAL B 151 20.523 -2.032 3.201 1.00 38.01 O ATOM 0 H VAL B 151 19.519 -0.745 5.770 1.00 74.51 H new ATOM 0 HA VAL B 151 20.174 -3.519 6.121 1.00 30.32 H new ATOM 0 HB VAL B 151 18.226 -2.381 4.121 1.00 12.40 H new ATOM 0 HG11 VAL B 151 17.250 -4.626 4.367 1.00 72.33 H new ATOM 0 HG12 VAL B 151 18.944 -4.699 3.825 1.00 72.33 H new ATOM 0 HG13 VAL B 151 18.536 -5.050 5.522 1.00 72.33 H new ATOM 0 HG21 VAL B 151 16.462 -2.743 5.748 1.00 4.14 H new ATOM 0 HG22 VAL B 151 17.680 -3.110 6.993 1.00 4.14 H new ATOM 0 HG23 VAL B 151 17.608 -1.485 6.270 1.00 4.14 H new