USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 677 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 102 HIS : no HD1:sc= -4.19! C(o=-4.2!,f=-7.1!) USER MOD Set 1.2: A 126 MET CE :methyl -174:sc=-0.00385 (180deg=-0.015) USER MOD Set 2.1: A 75 SER OG : rot 180:sc= 0.926 USER MOD Set 2.2: A 86 THR OG1 : rot -96:sc= 1.11 USER MOD Set 3.1: A 69 GLN : amide:sc= -1.23! K(o=-1.5!,f=-0.4) USER MOD Set 3.2: A 72 THR OG1 : rot -71:sc= -0.311 USER MOD Set 4.1: A 45 GLN : amide:sc= 0.793 K(o=1.7,f=-2.4) USER MOD Set 4.2: A 47 LYS NZ :NH3+ -170:sc= 0.9 (180deg=0) USER MOD Set 5.1: A 31 THR OG1 : rot 180:sc= -0.0648 USER MOD Set 5.2: A 32 SER OG : rot 180:sc= 0.0481 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 146:sc= -7.6! (180deg=-8.95!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.346 X(o=-0.35,f=-0.71) USER MOD Single : A 24 LYS NZ :NH3+ 140:sc= 0.775 (180deg=-0.434) USER MOD Single : A 28 THR OG1 : rot 65:sc= 0.262 USER MOD Single : A 30 SER OG : rot 59:sc= -2.51! USER MOD Single : A 50 GLN : amide:sc= -17.3! C(o=-17!,f=-12!) USER MOD Single : A 63 CYS SG : rot -20:sc= 0.152 USER MOD Single : A 64 LYS NZ :NH3+ 156:sc= -1.83 (180deg=-3.03!) USER MOD Single : A 88 GLN : amide:sc= -0.258 K(o=-0.26,f=-2) USER MOD Single : A 95 LYS NZ :NH3+ -172:sc= 0.936 (180deg=0.886) USER MOD Single : A 96 THR OG1 : rot -84:sc= -0.325! USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 165:sc= -0.0341 (180deg=-0.238) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0.00789 USER MOD Single : A 135 ASN : amide:sc= -5.25! K(o=-5.3!,f=-1.6) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 159 N ILE A 12 4.851 -3.874 -9.342 1.00 0.00 N ATOM 160 CA ILE A 12 3.801 -4.855 -9.168 1.00 0.00 C ATOM 161 C ILE A 12 2.478 -4.124 -9.136 1.00 0.00 C ATOM 162 O ILE A 12 2.309 -3.155 -8.400 1.00 0.00 O ATOM 163 CB ILE A 12 3.991 -5.718 -7.878 1.00 0.00 C ATOM 164 CG1 ILE A 12 4.199 -7.189 -8.261 1.00 0.00 C ATOM 165 CG2 ILE A 12 2.813 -5.594 -6.905 1.00 0.00 C ATOM 166 CD1 ILE A 12 3.034 -7.799 -9.011 1.00 0.00 C ATOM 0 HA ILE A 12 3.833 -5.555 -10.003 1.00 0.00 H new ATOM 0 HB ILE A 12 4.873 -5.337 -7.364 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.096 -7.271 -8.875 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.378 -7.768 -7.355 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.999 -6.214 -6.028 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.703 -4.554 -6.598 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.899 -5.926 -7.397 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.257 -8.840 -9.246 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.138 -7.751 -8.392 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.867 -7.246 -9.935 1.00 0.00 H new ATOM 178 N THR A 13 1.564 -4.540 -9.973 1.00 0.00 N ATOM 179 CA THR A 13 0.270 -3.938 -9.995 1.00 0.00 C ATOM 180 C THR A 13 -0.795 -4.964 -9.680 1.00 0.00 C ATOM 181 O THR A 13 -0.798 -6.076 -10.213 1.00 0.00 O ATOM 182 CB THR A 13 -0.005 -3.290 -11.358 1.00 0.00 C ATOM 183 OG1 THR A 13 0.630 -4.043 -12.399 1.00 0.00 O ATOM 184 CG2 THR A 13 0.479 -1.848 -11.387 1.00 0.00 C ATOM 0 H THR A 13 1.698 -5.294 -10.646 1.00 0.00 H new ATOM 0 HA THR A 13 0.244 -3.160 -9.232 1.00 0.00 H new ATOM 0 HB THR A 13 -1.083 -3.290 -11.522 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.447 -3.622 -13.265 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.271 -1.414 -12.365 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.039 -1.275 -10.618 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.552 -1.821 -11.199 1.00 0.00 H new ATOM 192 N LYS A 14 -1.683 -4.579 -8.802 1.00 0.00 N ATOM 193 CA LYS A 14 -2.797 -5.400 -8.416 1.00 0.00 C ATOM 194 C LYS A 14 -4.016 -4.509 -8.417 1.00 0.00 C ATOM 195 O LYS A 14 -4.019 -3.475 -7.770 1.00 0.00 O ATOM 196 CB LYS A 14 -2.535 -5.966 -7.014 1.00 0.00 C ATOM 197 CG LYS A 14 -3.147 -7.333 -6.763 1.00 0.00 C ATOM 198 CD LYS A 14 -4.654 -7.318 -6.900 1.00 0.00 C ATOM 199 CE LYS A 14 -5.297 -6.332 -5.944 1.00 0.00 C ATOM 200 NZ LYS A 14 -6.766 -6.276 -6.137 1.00 0.00 N ATOM 0 H LYS A 14 -1.652 -3.675 -8.330 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.944 -6.238 -9.097 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.458 -6.029 -6.857 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.924 -5.266 -6.275 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.727 -8.052 -7.466 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.878 -7.672 -5.762 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.923 -7.060 -7.924 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.046 -8.317 -6.710 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.074 -6.620 -4.917 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.870 -5.341 -6.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.230 -6.108 -5.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.001 -5.503 -6.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.099 -7.178 -6.533 1.00 0.00 H new ATOM 214 N SER A 15 -5.062 -4.900 -9.095 1.00 0.00 N ATOM 215 CA SER A 15 -6.177 -4.025 -9.233 1.00 0.00 C ATOM 216 C SER A 15 -7.457 -4.659 -8.757 1.00 0.00 C ATOM 217 O SER A 15 -7.619 -5.883 -8.732 1.00 0.00 O ATOM 218 CB SER A 15 -6.325 -3.604 -10.669 1.00 0.00 C ATOM 219 OG SER A 15 -5.064 -3.310 -11.250 1.00 0.00 O ATOM 0 H SER A 15 -5.158 -5.807 -9.552 1.00 0.00 H new ATOM 0 HA SER A 15 -5.986 -3.153 -8.608 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.813 -4.398 -11.235 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.969 -2.727 -10.729 1.00 0.00 H new ATOM 0 HG SER A 15 -5.189 -3.041 -12.184 1.00 0.00 H new ATOM 225 N ILE A 16 -8.313 -3.797 -8.295 1.00 0.00 N ATOM 226 CA ILE A 16 -9.635 -4.129 -7.858 1.00 0.00 C ATOM 227 C ILE A 16 -10.514 -2.917 -8.027 1.00 0.00 C ATOM 228 O ILE A 16 -10.055 -1.791 -7.897 1.00 0.00 O ATOM 229 CB ILE A 16 -9.676 -4.583 -6.391 1.00 0.00 C ATOM 230 CG1 ILE A 16 -11.114 -4.497 -5.869 1.00 0.00 C ATOM 231 CG2 ILE A 16 -8.705 -3.774 -5.544 1.00 0.00 C ATOM 232 CD1 ILE A 16 -11.348 -3.527 -4.743 1.00 0.00 C ATOM 0 H ILE A 16 -8.100 -2.803 -8.209 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.988 -4.964 -8.464 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.354 -5.622 -6.323 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.765 -4.224 -6.699 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.419 -5.489 -5.537 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -8.753 -4.115 -4.510 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.692 -3.908 -5.923 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.973 -2.719 -5.591 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -12.399 -3.550 -4.455 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.732 -3.806 -3.888 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -11.083 -2.521 -5.068 1.00 0.00 H new ATOM 244 N THR A 17 -11.760 -3.133 -8.305 1.00 0.00 N ATOM 245 CA THR A 17 -12.681 -2.040 -8.329 1.00 0.00 C ATOM 246 C THR A 17 -13.367 -1.942 -6.979 1.00 0.00 C ATOM 247 O THR A 17 -14.048 -2.874 -6.540 1.00 0.00 O ATOM 248 CB THR A 17 -13.716 -2.233 -9.437 1.00 0.00 C ATOM 249 OG1 THR A 17 -13.048 -2.480 -10.685 1.00 0.00 O ATOM 250 CG2 THR A 17 -14.593 -1.005 -9.561 1.00 0.00 C ATOM 0 H THR A 17 -12.161 -4.046 -8.517 1.00 0.00 H new ATOM 0 HA THR A 17 -12.139 -1.116 -8.532 1.00 0.00 H new ATOM 0 HB THR A 17 -14.344 -3.087 -9.185 1.00 0.00 H new ATOM 0 HG1 THR A 17 -13.714 -2.605 -11.393 1.00 0.00 H new ATOM 0 HG21 THR A 17 -15.324 -1.159 -10.354 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.111 -0.831 -8.618 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.975 -0.139 -9.800 1.00 0.00 H new ATOM 258 N LEU A 18 -13.190 -0.806 -6.325 1.00 0.00 N ATOM 259 CA LEU A 18 -13.754 -0.580 -5.030 1.00 0.00 C ATOM 260 C LEU A 18 -15.087 0.029 -5.259 1.00 0.00 C ATOM 261 O LEU A 18 -15.162 1.152 -5.714 1.00 0.00 O ATOM 262 CB LEU A 18 -12.909 0.416 -4.224 1.00 0.00 C ATOM 263 CG LEU A 18 -11.445 0.058 -4.060 1.00 0.00 C ATOM 264 CD1 LEU A 18 -10.643 1.287 -3.685 1.00 0.00 C ATOM 265 CD2 LEU A 18 -11.276 -1.012 -3.002 1.00 0.00 C ATOM 0 H LEU A 18 -12.649 -0.022 -6.688 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.802 -1.517 -4.475 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.973 1.391 -4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -13.351 0.520 -3.233 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.077 -0.329 -5.010 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.594 1.016 -3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.740 2.038 -4.469 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.017 1.693 -2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.219 -1.257 -2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.660 -0.646 -2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.828 -1.905 -3.296 1.00 0.00 H new ATOM 277 N GLU A 19 -16.149 -0.678 -5.022 1.00 0.00 N ATOM 278 CA GLU A 19 -17.406 -0.011 -5.135 1.00 0.00 C ATOM 279 C GLU A 19 -17.534 0.896 -3.924 1.00 0.00 C ATOM 280 O GLU A 19 -18.066 0.506 -2.888 1.00 0.00 O ATOM 281 CB GLU A 19 -18.504 -1.069 -5.160 1.00 0.00 C ATOM 282 CG GLU A 19 -18.118 -2.336 -4.405 1.00 0.00 C ATOM 283 CD GLU A 19 -19.190 -3.407 -4.454 1.00 0.00 C ATOM 284 OE1 GLU A 19 -19.603 -3.787 -5.569 1.00 0.00 O ATOM 285 OE2 GLU A 19 -19.625 -3.871 -3.376 1.00 0.00 O ATOM 0 H GLU A 19 -16.175 -1.664 -4.763 1.00 0.00 H new ATOM 0 HA GLU A 19 -17.487 0.585 -6.044 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -19.413 -0.654 -4.724 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.734 -1.323 -6.195 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.195 -2.735 -4.825 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.912 -2.084 -3.365 1.00 0.00 H new ATOM 292 N ALA A 20 -17.027 2.113 -4.086 1.00 0.00 N ATOM 293 CA ALA A 20 -17.084 3.125 -3.049 1.00 0.00 C ATOM 294 C ALA A 20 -16.994 4.510 -3.654 1.00 0.00 C ATOM 295 O ALA A 20 -16.580 4.659 -4.786 1.00 0.00 O ATOM 296 CB ALA A 20 -15.956 2.923 -2.063 1.00 0.00 C ATOM 0 H ALA A 20 -16.566 2.421 -4.942 1.00 0.00 H new ATOM 0 HA ALA A 20 -18.037 3.031 -2.528 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -16.008 3.688 -1.289 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -16.044 1.937 -1.606 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -15.001 2.997 -2.583 1.00 0.00 H new ATOM 302 N PRO A 21 -17.308 5.547 -2.903 1.00 0.00 N ATOM 303 CA PRO A 21 -17.017 6.904 -3.332 1.00 0.00 C ATOM 304 C PRO A 21 -15.542 7.225 -3.113 1.00 0.00 C ATOM 305 O PRO A 21 -14.896 6.611 -2.254 1.00 0.00 O ATOM 306 CB PRO A 21 -17.895 7.737 -2.420 1.00 0.00 C ATOM 307 CG PRO A 21 -17.945 6.944 -1.159 1.00 0.00 C ATOM 308 CD PRO A 21 -17.939 5.499 -1.577 1.00 0.00 C ATOM 0 HA PRO A 21 -17.208 7.081 -4.391 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -17.473 8.728 -2.254 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -18.889 7.881 -2.843 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -17.090 7.169 -0.522 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -18.841 7.180 -0.585 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -17.373 4.879 -0.882 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -18.947 5.087 -1.623 1.00 0.00 H new ATOM 316 N ILE A 22 -15.009 8.171 -3.872 1.00 0.00 N ATOM 317 CA ILE A 22 -13.597 8.545 -3.761 1.00 0.00 C ATOM 318 C ILE A 22 -13.229 8.874 -2.315 1.00 0.00 C ATOM 319 O ILE A 22 -12.160 8.520 -1.825 1.00 0.00 O ATOM 320 CB ILE A 22 -13.270 9.739 -4.690 1.00 0.00 C ATOM 321 CG1 ILE A 22 -11.848 10.244 -4.441 1.00 0.00 C ATOM 322 CG2 ILE A 22 -14.289 10.860 -4.522 1.00 0.00 C ATOM 323 CD1 ILE A 22 -11.378 11.252 -5.460 1.00 0.00 C ATOM 0 H ILE A 22 -15.529 8.697 -4.574 1.00 0.00 H new ATOM 0 HA ILE A 22 -12.999 7.690 -4.077 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.329 9.391 -5.721 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.799 10.693 -3.449 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.165 9.395 -4.440 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -14.035 11.686 -5.187 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.283 10.488 -4.770 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -14.279 11.209 -3.489 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -10.362 11.565 -5.220 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.394 10.801 -6.452 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -12.038 12.119 -5.445 1.00 0.00 H new ATOM 335 N GLN A 23 -14.169 9.501 -1.647 1.00 0.00 N ATOM 336 CA GLN A 23 -14.046 9.924 -0.256 1.00 0.00 C ATOM 337 C GLN A 23 -13.802 8.769 0.732 1.00 0.00 C ATOM 338 O GLN A 23 -13.134 8.954 1.744 1.00 0.00 O ATOM 339 CB GLN A 23 -15.316 10.658 0.096 1.00 0.00 C ATOM 340 CG GLN A 23 -16.509 9.794 -0.171 1.00 0.00 C ATOM 341 CD GLN A 23 -17.795 10.583 -0.356 1.00 0.00 C ATOM 342 OE1 GLN A 23 -18.141 10.976 -1.469 1.00 0.00 O ATOM 343 NE2 GLN A 23 -18.511 10.810 0.733 1.00 0.00 N ATOM 0 H GLN A 23 -15.070 9.742 -2.061 1.00 0.00 H new ATOM 0 HA GLN A 23 -13.165 10.559 -0.166 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -15.297 10.948 1.147 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -15.386 11.576 -0.487 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -16.325 9.199 -1.065 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -16.635 9.096 0.656 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -18.187 10.466 1.637 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -19.387 11.329 0.669 1.00 0.00 H new ATOM 352 N LYS A 24 -14.337 7.582 0.463 1.00 0.00 N ATOM 353 CA LYS A 24 -14.173 6.474 1.406 1.00 0.00 C ATOM 354 C LYS A 24 -12.800 5.843 1.237 1.00 0.00 C ATOM 355 O LYS A 24 -12.126 5.484 2.204 1.00 0.00 O ATOM 356 CB LYS A 24 -15.243 5.411 1.165 1.00 0.00 C ATOM 357 CG LYS A 24 -16.606 5.740 1.740 1.00 0.00 C ATOM 358 CD LYS A 24 -16.596 5.687 3.256 1.00 0.00 C ATOM 359 CE LYS A 24 -17.994 5.461 3.802 1.00 0.00 C ATOM 360 NZ LYS A 24 -18.554 4.152 3.362 1.00 0.00 N ATOM 0 H LYS A 24 -14.874 7.362 -0.376 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.273 6.867 2.418 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.345 5.255 0.091 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.902 4.468 1.593 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -16.911 6.734 1.411 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -17.344 5.037 1.355 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.937 4.886 3.591 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.193 6.619 3.653 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.970 5.498 4.891 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -18.649 6.267 3.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -19.072 3.714 4.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -19.202 4.303 2.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.779 3.525 3.066 1.00 0.00 H new ATOM 374 N VAL A 25 -12.374 5.761 -0.004 1.00 0.00 N ATOM 375 CA VAL A 25 -11.031 5.344 -0.336 1.00 0.00 C ATOM 376 C VAL A 25 -10.044 6.408 0.134 1.00 0.00 C ATOM 377 O VAL A 25 -8.925 6.110 0.522 1.00 0.00 O ATOM 378 CB VAL A 25 -10.882 5.019 -1.837 1.00 0.00 C ATOM 379 CG1 VAL A 25 -9.634 4.178 -2.057 1.00 0.00 C ATOM 380 CG2 VAL A 25 -12.126 4.282 -2.349 1.00 0.00 C ATOM 0 H VAL A 25 -12.952 5.983 -0.814 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.808 4.413 0.186 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.784 5.950 -2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.531 3.950 -3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.758 4.731 -1.718 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.717 3.249 -1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.006 4.059 -3.409 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.252 3.352 -1.795 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -13.005 4.910 -2.207 1.00 0.00 H new ATOM 390 N TRP A 26 -10.487 7.654 0.082 1.00 0.00 N ATOM 391 CA TRP A 26 -9.746 8.792 0.628 1.00 0.00 C ATOM 392 C TRP A 26 -9.415 8.538 2.080 1.00 0.00 C ATOM 393 O TRP A 26 -8.319 8.825 2.533 1.00 0.00 O ATOM 394 CB TRP A 26 -10.679 9.992 0.578 1.00 0.00 C ATOM 395 CG TRP A 26 -10.059 11.331 0.423 1.00 0.00 C ATOM 396 CD1 TRP A 26 -9.165 11.981 1.222 1.00 0.00 C ATOM 397 CD2 TRP A 26 -10.380 12.209 -0.625 1.00 0.00 C ATOM 398 NE1 TRP A 26 -8.907 13.230 0.696 1.00 0.00 N ATOM 399 CE2 TRP A 26 -9.649 13.385 -0.452 1.00 0.00 C ATOM 400 CE3 TRP A 26 -11.224 12.075 -1.708 1.00 0.00 C ATOM 401 CZ2 TRP A 26 -9.752 14.449 -1.348 1.00 0.00 C ATOM 402 CZ3 TRP A 26 -11.336 13.102 -2.594 1.00 0.00 C ATOM 403 CH2 TRP A 26 -10.601 14.290 -2.419 1.00 0.00 C ATOM 0 H TRP A 26 -11.378 7.912 -0.343 1.00 0.00 H new ATOM 0 HA TRP A 26 -8.828 8.952 0.062 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -11.374 9.845 -0.249 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -11.270 9.998 1.494 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -8.728 11.581 2.125 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -8.272 13.923 1.092 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -11.789 11.166 -1.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -9.189 15.360 -1.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -11.997 13.004 -3.442 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -10.705 15.090 -3.137 1.00 0.00 H new ATOM 414 N GLU A 27 -10.396 8.024 2.790 1.00 0.00 N ATOM 415 CA GLU A 27 -10.239 7.593 4.168 1.00 0.00 C ATOM 416 C GLU A 27 -9.342 6.357 4.271 1.00 0.00 C ATOM 417 O GLU A 27 -8.746 6.093 5.316 1.00 0.00 O ATOM 418 CB GLU A 27 -11.608 7.298 4.760 1.00 0.00 C ATOM 419 CG GLU A 27 -11.603 7.077 6.260 1.00 0.00 C ATOM 420 CD GLU A 27 -12.992 7.162 6.848 1.00 0.00 C ATOM 421 OE1 GLU A 27 -13.605 8.249 6.767 1.00 0.00 O ATOM 422 OE2 GLU A 27 -13.484 6.147 7.385 1.00 0.00 O ATOM 0 H GLU A 27 -11.339 7.891 2.424 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.758 8.395 4.728 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.278 8.126 4.529 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.018 6.412 4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.175 6.099 6.481 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.962 7.820 6.734 1.00 0.00 H new ATOM 429 N THR A 28 -9.336 5.550 3.220 1.00 0.00 N ATOM 430 CA THR A 28 -8.661 4.262 3.250 1.00 0.00 C ATOM 431 C THR A 28 -7.266 4.161 2.563 1.00 0.00 C ATOM 432 O THR A 28 -6.621 3.133 2.696 1.00 0.00 O ATOM 433 CB THR A 28 -9.590 3.164 2.739 1.00 0.00 C ATOM 434 OG1 THR A 28 -10.901 3.360 3.288 1.00 0.00 O ATOM 435 CG2 THR A 28 -9.078 1.809 3.174 1.00 0.00 C ATOM 0 H THR A 28 -9.793 5.766 2.334 1.00 0.00 H new ATOM 0 HA THR A 28 -8.426 4.128 4.306 1.00 0.00 H new ATOM 0 HB THR A 28 -9.626 3.207 1.650 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.279 4.196 2.943 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.747 1.032 2.805 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.079 1.650 2.769 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.039 1.767 4.262 1.00 0.00 H new ATOM 443 N VAL A 29 -6.789 5.156 1.811 1.00 0.00 N ATOM 444 CA VAL A 29 -5.503 4.980 1.089 1.00 0.00 C ATOM 445 C VAL A 29 -4.530 6.150 1.261 1.00 0.00 C ATOM 446 O VAL A 29 -3.456 5.992 1.819 1.00 0.00 O ATOM 447 CB VAL A 29 -5.666 4.663 -0.424 1.00 0.00 C ATOM 448 CG1 VAL A 29 -6.414 3.372 -0.615 1.00 0.00 C ATOM 449 CG2 VAL A 29 -6.351 5.778 -1.187 1.00 0.00 C ATOM 0 H VAL A 29 -7.243 6.060 1.681 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.070 4.104 1.573 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.660 4.566 -0.832 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.519 3.166 -1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.864 2.559 -0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.402 3.454 -0.163 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.437 5.501 -2.238 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.345 5.945 -0.773 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.764 6.692 -1.100 1.00 0.00 H new ATOM 459 N SER A 30 -4.866 7.315 0.783 1.00 0.00 N ATOM 460 CA SER A 30 -3.946 8.431 0.899 1.00 0.00 C ATOM 461 C SER A 30 -4.333 9.253 2.100 1.00 0.00 C ATOM 462 O SER A 30 -4.827 10.372 1.981 1.00 0.00 O ATOM 463 CB SER A 30 -3.962 9.264 -0.369 1.00 0.00 C ATOM 464 OG SER A 30 -5.289 9.578 -0.747 1.00 0.00 O ATOM 0 H SER A 30 -5.749 7.523 0.317 1.00 0.00 H new ATOM 0 HA SER A 30 -2.929 8.063 1.032 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.396 10.183 -0.213 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.469 8.719 -1.174 1.00 0.00 H new ATOM 0 HG SER A 30 -5.729 10.066 -0.020 1.00 0.00 H new ATOM 470 N THR A 31 -4.170 8.651 3.257 1.00 0.00 N ATOM 471 CA THR A 31 -4.740 9.190 4.456 1.00 0.00 C ATOM 472 C THR A 31 -4.006 8.685 5.672 1.00 0.00 C ATOM 473 O THR A 31 -2.964 8.040 5.557 1.00 0.00 O ATOM 474 CB THR A 31 -6.243 8.878 4.501 1.00 0.00 C ATOM 475 OG1 THR A 31 -6.853 9.295 5.732 1.00 0.00 O ATOM 476 CG2 THR A 31 -6.457 7.402 4.267 1.00 0.00 C ATOM 0 H THR A 31 -3.645 7.786 3.386 1.00 0.00 H new ATOM 0 HA THR A 31 -4.629 10.274 4.457 1.00 0.00 H new ATOM 0 HB THR A 31 -6.728 9.448 3.709 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.808 9.077 5.714 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.524 7.179 4.299 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.058 7.127 3.291 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.944 6.833 5.042 1.00 0.00 H new ATOM 484 N SER A 32 -4.527 9.039 6.819 1.00 0.00 N ATOM 485 CA SER A 32 -3.987 8.633 8.084 1.00 0.00 C ATOM 486 C SER A 32 -4.008 7.123 8.182 1.00 0.00 C ATOM 487 O SER A 32 -4.568 6.436 7.325 1.00 0.00 O ATOM 488 CB SER A 32 -4.786 9.218 9.237 1.00 0.00 C ATOM 489 OG SER A 32 -6.172 9.251 8.939 1.00 0.00 O ATOM 0 H SER A 32 -5.355 9.629 6.897 1.00 0.00 H new ATOM 0 HA SER A 32 -2.963 9.002 8.150 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.619 8.624 10.136 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.434 10.227 9.451 1.00 0.00 H new ATOM 0 HG SER A 32 -6.661 9.630 9.699 1.00 0.00 H new ATOM 495 N GLU A 33 -3.336 6.639 9.206 1.00 0.00 N ATOM 496 CA GLU A 33 -2.867 5.266 9.346 1.00 0.00 C ATOM 497 C GLU A 33 -3.946 4.208 9.082 1.00 0.00 C ATOM 498 O GLU A 33 -3.642 3.016 9.042 1.00 0.00 O ATOM 499 CB GLU A 33 -2.328 5.130 10.760 1.00 0.00 C ATOM 500 CG GLU A 33 -1.535 6.354 11.184 1.00 0.00 C ATOM 501 CD GLU A 33 -1.263 6.403 12.667 1.00 0.00 C ATOM 502 OE1 GLU A 33 -2.125 6.910 13.413 1.00 0.00 O ATOM 503 OE2 GLU A 33 -0.181 5.959 13.092 1.00 0.00 O ATOM 0 H GLU A 33 -3.087 7.219 10.007 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.103 5.081 8.591 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.157 4.977 11.451 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.693 4.246 10.823 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.587 6.368 10.647 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.080 7.251 10.892 1.00 0.00 H new ATOM 510 N GLY A 34 -5.191 4.632 8.924 1.00 0.00 N ATOM 511 CA GLY A 34 -6.241 3.709 8.553 1.00 0.00 C ATOM 512 C GLY A 34 -5.948 3.006 7.238 1.00 0.00 C ATOM 513 O GLY A 34 -6.273 1.829 7.086 1.00 0.00 O ATOM 0 H GLY A 34 -5.492 5.599 9.046 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.364 2.966 9.341 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.185 4.248 8.473 1.00 0.00 H new ATOM 517 N ILE A 35 -5.341 3.713 6.278 1.00 0.00 N ATOM 518 CA ILE A 35 -4.917 3.080 5.058 1.00 0.00 C ATOM 519 C ILE A 35 -3.852 2.020 5.301 1.00 0.00 C ATOM 520 O ILE A 35 -3.868 0.949 4.707 1.00 0.00 O ATOM 521 CB ILE A 35 -4.405 4.099 4.031 1.00 0.00 C ATOM 522 CG1 ILE A 35 -3.553 3.404 2.960 1.00 0.00 C ATOM 523 CG2 ILE A 35 -3.642 5.245 4.687 1.00 0.00 C ATOM 524 CD1 ILE A 35 -2.069 3.535 3.204 1.00 0.00 C ATOM 0 H ILE A 35 -5.141 4.712 6.335 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.803 2.591 4.652 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.276 4.540 3.546 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.817 2.347 2.924 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.793 3.826 1.984 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.300 5.940 3.920 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.298 5.767 5.383 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.782 4.848 5.227 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.523 3.022 2.412 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.793 4.589 3.211 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.818 3.088 4.166 1.00 0.00 H new ATOM 536 N ALA A 36 -2.925 2.329 6.173 1.00 0.00 N ATOM 537 CA ALA A 36 -1.826 1.419 6.458 1.00 0.00 C ATOM 538 C ALA A 36 -2.362 0.052 6.900 1.00 0.00 C ATOM 539 O ALA A 36 -1.773 -0.991 6.604 1.00 0.00 O ATOM 540 CB ALA A 36 -0.899 2.024 7.503 1.00 0.00 C ATOM 0 H ALA A 36 -2.903 3.201 6.701 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.246 1.265 5.548 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.081 1.333 7.707 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.495 2.965 7.130 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.457 2.208 8.421 1.00 0.00 H new ATOM 689 N GLN A 45 0.396 8.241 6.457 1.00 0.00 N ATOM 690 CA GLN A 45 -0.512 9.381 6.508 1.00 0.00 C ATOM 691 C GLN A 45 -0.267 10.115 5.211 1.00 0.00 C ATOM 692 O GLN A 45 0.865 10.079 4.733 1.00 0.00 O ATOM 693 CB GLN A 45 -0.164 10.294 7.694 1.00 0.00 C ATOM 694 CG GLN A 45 0.011 9.570 9.018 1.00 0.00 C ATOM 695 CD GLN A 45 0.368 10.521 10.145 1.00 0.00 C ATOM 696 OE1 GLN A 45 1.535 10.865 10.334 1.00 0.00 O ATOM 697 NE2 GLN A 45 -0.627 10.937 10.911 1.00 0.00 N ATOM 0 HA GLN A 45 -1.551 9.075 6.633 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.756 10.832 7.464 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.950 11.041 7.804 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.910 9.043 9.267 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.793 8.817 8.918 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.580 10.629 10.721 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.441 11.566 11.692 1.00 0.00 H new ATOM 706 N LEU A 46 -1.251 10.774 4.603 1.00 0.00 N ATOM 707 CA LEU A 46 -0.927 11.425 3.350 1.00 0.00 C ATOM 708 C LEU A 46 -0.086 12.651 3.648 1.00 0.00 C ATOM 709 O LEU A 46 -0.544 13.681 4.141 1.00 0.00 O ATOM 710 CB LEU A 46 -2.153 11.767 2.484 1.00 0.00 C ATOM 711 CG LEU A 46 -2.944 13.020 2.859 1.00 0.00 C ATOM 712 CD1 LEU A 46 -3.938 13.375 1.764 1.00 0.00 C ATOM 713 CD2 LEU A 46 -3.666 12.840 4.188 1.00 0.00 C ATOM 0 H LEU A 46 -2.212 10.866 4.932 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.361 10.718 2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.819 11.875 1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.834 10.916 2.511 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.234 13.840 2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.491 14.270 2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.403 13.562 0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.634 12.548 1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.220 13.748 4.427 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.358 12.001 4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.937 12.642 4.974 1.00 0.00 H new ATOM 725 N LYS A 47 1.175 12.462 3.390 1.00 0.00 N ATOM 726 CA LYS A 47 2.201 13.444 3.589 1.00 0.00 C ATOM 727 C LYS A 47 2.999 13.503 2.327 1.00 0.00 C ATOM 728 O LYS A 47 3.008 12.549 1.591 1.00 0.00 O ATOM 729 CB LYS A 47 3.089 13.065 4.759 1.00 0.00 C ATOM 730 CG LYS A 47 2.637 13.649 6.084 1.00 0.00 C ATOM 731 CD LYS A 47 3.543 13.207 7.226 1.00 0.00 C ATOM 732 CE LYS A 47 3.213 13.909 8.537 1.00 0.00 C ATOM 733 NZ LYS A 47 1.948 13.420 9.147 1.00 0.00 N ATOM 0 H LYS A 47 1.532 11.581 3.019 1.00 0.00 H new ATOM 0 HA LYS A 47 1.763 14.415 3.819 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.120 11.979 4.843 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.106 13.398 4.554 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.633 14.737 6.021 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.613 13.338 6.289 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.452 12.129 7.362 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.581 13.408 6.961 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.032 13.760 9.240 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.136 14.982 8.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.682 14.040 9.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.192 13.428 8.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.084 12.450 9.497 1.00 0.00 H new ATOM 747 N GLU A 48 3.562 14.623 2.004 1.00 0.00 N ATOM 748 CA GLU A 48 4.392 14.694 0.838 1.00 0.00 C ATOM 749 C GLU A 48 5.797 15.186 1.120 1.00 0.00 C ATOM 750 O GLU A 48 6.000 16.194 1.796 1.00 0.00 O ATOM 751 CB GLU A 48 3.700 15.436 -0.269 1.00 0.00 C ATOM 752 CG GLU A 48 3.335 14.460 -1.334 1.00 0.00 C ATOM 753 CD GLU A 48 4.517 14.170 -2.223 1.00 0.00 C ATOM 754 OE1 GLU A 48 5.469 13.517 -1.760 1.00 0.00 O ATOM 755 OE2 GLU A 48 4.505 14.622 -3.384 1.00 0.00 O ATOM 0 H GLU A 48 3.466 15.495 2.524 1.00 0.00 H new ATOM 0 HA GLU A 48 4.542 13.672 0.489 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.808 15.936 0.109 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.353 16.211 -0.672 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.981 13.535 -0.880 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.514 14.857 -1.931 1.00 0.00 H new ATOM 762 N GLY A 49 6.751 14.442 0.581 1.00 0.00 N ATOM 763 CA GLY A 49 8.167 14.717 0.794 1.00 0.00 C ATOM 764 C GLY A 49 8.513 14.822 2.268 1.00 0.00 C ATOM 765 O GLY A 49 9.276 15.691 2.692 1.00 0.00 O ATOM 0 H GLY A 49 6.569 13.634 -0.014 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.762 13.926 0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.435 15.647 0.292 1.00 0.00 H new ATOM 769 N GLN A 50 7.915 13.930 3.030 1.00 0.00 N ATOM 770 CA GLN A 50 7.965 13.922 4.469 1.00 0.00 C ATOM 771 C GLN A 50 8.806 12.761 4.935 1.00 0.00 C ATOM 772 O GLN A 50 9.260 11.963 4.120 1.00 0.00 O ATOM 773 CB GLN A 50 6.546 13.767 4.993 1.00 0.00 C ATOM 774 CG GLN A 50 6.143 12.324 5.184 1.00 0.00 C ATOM 775 CD GLN A 50 6.082 11.600 3.871 1.00 0.00 C ATOM 776 OE1 GLN A 50 6.413 10.433 3.784 1.00 0.00 O ATOM 777 NE2 GLN A 50 5.655 12.299 2.837 1.00 0.00 N ATOM 0 H GLN A 50 7.362 13.164 2.646 1.00 0.00 H new ATOM 0 HA GLN A 50 8.404 14.849 4.839 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.456 14.293 5.944 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.854 14.243 4.299 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.856 11.829 5.843 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.170 12.277 5.674 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.388 13.276 2.957 1.00 0.00 H new ATOM 0 HE22 GLN A 50 5.592 11.862 1.917 1.00 0.00 H new ATOM 786 N GLU A 51 9.043 12.680 6.219 1.00 0.00 N ATOM 787 CA GLU A 51 9.353 11.394 6.794 1.00 0.00 C ATOM 788 C GLU A 51 8.360 11.084 7.914 1.00 0.00 C ATOM 789 O GLU A 51 8.139 11.908 8.801 1.00 0.00 O ATOM 790 CB GLU A 51 10.793 11.342 7.298 1.00 0.00 C ATOM 791 CG GLU A 51 11.820 11.496 6.189 1.00 0.00 C ATOM 792 CD GLU A 51 13.234 11.263 6.667 1.00 0.00 C ATOM 793 OE1 GLU A 51 13.753 12.107 7.428 1.00 0.00 O ATOM 794 OE2 GLU A 51 13.838 10.243 6.274 1.00 0.00 O ATOM 0 H GLU A 51 9.029 13.464 6.872 1.00 0.00 H new ATOM 0 HA GLU A 51 9.261 10.632 6.020 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.942 12.131 8.035 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.959 10.393 7.809 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.591 10.793 5.388 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.744 12.498 5.766 1.00 0.00 H new ATOM 966 N CYS A 63 10.239 6.488 6.042 1.00 0.00 N ATOM 967 CA CYS A 63 9.720 6.506 4.713 1.00 0.00 C ATOM 968 C CYS A 63 9.326 7.917 4.305 1.00 0.00 C ATOM 969 O CYS A 63 9.121 8.781 5.159 1.00 0.00 O ATOM 970 CB CYS A 63 8.531 5.560 4.703 1.00 0.00 C ATOM 971 SG CYS A 63 7.620 5.525 6.258 1.00 0.00 S ATOM 0 HA CYS A 63 10.468 6.183 3.989 1.00 0.00 H new ATOM 0 HB2 CYS A 63 7.853 5.852 3.901 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.881 4.553 4.474 1.00 0.00 H new ATOM 0 HG CYS A 63 8.374 5.983 7.213 1.00 0.00 H new ATOM 977 N LYS A 64 9.224 8.140 3.005 1.00 0.00 N ATOM 978 CA LYS A 64 8.929 9.453 2.467 1.00 0.00 C ATOM 979 C LYS A 64 7.954 9.300 1.329 1.00 0.00 C ATOM 980 O LYS A 64 8.057 8.354 0.547 1.00 0.00 O ATOM 981 CB LYS A 64 10.203 10.136 1.951 1.00 0.00 C ATOM 982 CG LYS A 64 10.890 9.399 0.809 1.00 0.00 C ATOM 983 CD LYS A 64 11.903 10.282 0.091 1.00 0.00 C ATOM 984 CE LYS A 64 11.257 11.166 -0.979 1.00 0.00 C ATOM 985 NZ LYS A 64 10.299 12.160 -0.420 1.00 0.00 N ATOM 0 H LYS A 64 9.343 7.416 2.296 1.00 0.00 H new ATOM 0 HA LYS A 64 8.505 10.071 3.258 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.952 11.143 1.619 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.907 10.238 2.777 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.392 8.513 1.198 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.141 9.053 0.097 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.411 10.913 0.820 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.664 9.654 -0.372 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.039 11.693 -1.526 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.736 10.533 -1.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.208 12.962 -1.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.370 11.712 -0.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.649 12.502 0.498 1.00 0.00 H new ATOM 999 N VAL A 65 6.994 10.193 1.226 1.00 0.00 N ATOM 1000 CA VAL A 65 6.114 10.135 0.095 1.00 0.00 C ATOM 1001 C VAL A 65 6.799 10.763 -1.096 1.00 0.00 C ATOM 1002 O VAL A 65 7.435 11.809 -0.982 1.00 0.00 O ATOM 1003 CB VAL A 65 4.762 10.794 0.385 1.00 0.00 C ATOM 1004 CG1 VAL A 65 3.935 10.943 -0.873 1.00 0.00 C ATOM 1005 CG2 VAL A 65 3.994 9.970 1.410 1.00 0.00 C ATOM 0 H VAL A 65 6.811 10.943 1.892 1.00 0.00 H new ATOM 0 HA VAL A 65 5.897 9.090 -0.128 1.00 0.00 H new ATOM 0 HB VAL A 65 4.954 11.791 0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.983 11.414 -0.629 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.473 11.562 -1.591 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.753 9.960 -1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.033 10.444 1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.828 8.966 1.019 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.570 9.909 2.333 1.00 0.00 H new ATOM 1015 N LEU A 66 6.740 10.049 -2.199 1.00 0.00 N ATOM 1016 CA LEU A 66 7.279 10.502 -3.458 1.00 0.00 C ATOM 1017 C LEU A 66 6.333 11.499 -4.081 1.00 0.00 C ATOM 1018 O LEU A 66 6.745 12.539 -4.594 1.00 0.00 O ATOM 1019 CB LEU A 66 7.475 9.305 -4.391 1.00 0.00 C ATOM 1020 CG LEU A 66 8.875 8.696 -4.373 1.00 0.00 C ATOM 1021 CD1 LEU A 66 9.902 9.701 -4.870 1.00 0.00 C ATOM 1022 CD2 LEU A 66 9.219 8.227 -2.970 1.00 0.00 C ATOM 0 H LEU A 66 6.310 9.125 -2.245 1.00 0.00 H new ATOM 0 HA LEU A 66 8.243 10.983 -3.293 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.755 8.532 -4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.243 9.616 -5.410 1.00 0.00 H new ATOM 0 HG LEU A 66 8.892 7.836 -5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.893 9.248 -4.850 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.658 9.996 -5.891 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.891 10.581 -4.226 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.219 7.794 -2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.188 9.074 -2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.497 7.476 -2.650 1.00 0.00 H new ATOM 1034 N ALA A 67 5.061 11.150 -4.046 1.00 0.00 N ATOM 1035 CA ALA A 67 4.016 12.000 -4.556 1.00 0.00 C ATOM 1036 C ALA A 67 2.704 11.632 -3.907 1.00 0.00 C ATOM 1037 O ALA A 67 2.389 10.454 -3.773 1.00 0.00 O ATOM 1038 CB ALA A 67 3.914 11.874 -6.057 1.00 0.00 C ATOM 0 H ALA A 67 4.728 10.266 -3.661 1.00 0.00 H new ATOM 0 HA ALA A 67 4.255 13.037 -4.319 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.119 12.524 -6.423 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.860 12.167 -6.512 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.689 10.841 -6.321 1.00 0.00 H new ATOM 1044 N VAL A 68 1.938 12.612 -3.494 1.00 0.00 N ATOM 1045 CA VAL A 68 0.621 12.312 -2.978 1.00 0.00 C ATOM 1046 C VAL A 68 -0.430 13.193 -3.630 1.00 0.00 C ATOM 1047 O VAL A 68 -0.302 14.419 -3.708 1.00 0.00 O ATOM 1048 CB VAL A 68 0.508 12.326 -1.426 1.00 0.00 C ATOM 1049 CG1 VAL A 68 0.107 13.690 -0.874 1.00 0.00 C ATOM 1050 CG2 VAL A 68 -0.469 11.242 -0.987 1.00 0.00 C ATOM 0 H VAL A 68 2.192 13.600 -3.503 1.00 0.00 H new ATOM 0 HA VAL A 68 0.431 11.275 -3.253 1.00 0.00 H new ATOM 0 HB VAL A 68 1.496 12.119 -1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.044 13.638 0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.853 14.432 -1.160 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.863 13.976 -1.280 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.553 11.246 0.100 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.447 11.434 -1.427 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.106 10.269 -1.319 1.00 0.00 H new ATOM 1060 N GLN A 69 -1.440 12.527 -4.148 1.00 0.00 N ATOM 1061 CA GLN A 69 -2.494 13.142 -4.916 1.00 0.00 C ATOM 1062 C GLN A 69 -3.828 12.620 -4.452 1.00 0.00 C ATOM 1063 O GLN A 69 -3.994 11.401 -4.297 1.00 0.00 O ATOM 1064 CB GLN A 69 -2.306 12.789 -6.377 1.00 0.00 C ATOM 1065 CG GLN A 69 -1.219 13.580 -7.079 1.00 0.00 C ATOM 1066 CD GLN A 69 -1.096 13.219 -8.548 1.00 0.00 C ATOM 1067 OE1 GLN A 69 -0.014 13.298 -9.129 1.00 0.00 O ATOM 1068 NE2 GLN A 69 -2.202 12.818 -9.160 1.00 0.00 N ATOM 0 H GLN A 69 -1.551 11.519 -4.042 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.461 14.223 -4.783 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.073 11.727 -6.454 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.249 12.947 -6.900 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.431 14.645 -6.986 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.265 13.401 -6.583 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.080 12.766 -8.644 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.174 12.562 -10.147 1.00 0.00 H new ATOM 1077 N ALA A 70 -4.802 13.517 -4.341 1.00 0.00 N ATOM 1078 CA ALA A 70 -6.043 13.194 -3.671 1.00 0.00 C ATOM 1079 C ALA A 70 -6.764 12.138 -4.460 1.00 0.00 C ATOM 1080 O ALA A 70 -7.031 12.330 -5.646 1.00 0.00 O ATOM 1081 CB ALA A 70 -6.934 14.415 -3.515 1.00 0.00 C ATOM 0 H ALA A 70 -4.751 14.468 -4.707 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.808 12.828 -2.671 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.856 14.130 -3.007 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.415 15.172 -2.927 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.172 14.820 -4.499 1.00 0.00 H new ATOM 1087 N PRO A 71 -7.148 11.056 -3.765 1.00 0.00 N ATOM 1088 CA PRO A 71 -7.464 9.759 -4.311 1.00 0.00 C ATOM 1089 C PRO A 71 -7.377 9.645 -5.823 1.00 0.00 C ATOM 1090 O PRO A 71 -8.360 9.388 -6.517 1.00 0.00 O ATOM 1091 CB PRO A 71 -8.846 9.604 -3.734 1.00 0.00 C ATOM 1092 CG PRO A 71 -8.621 10.021 -2.312 1.00 0.00 C ATOM 1093 CD PRO A 71 -7.474 11.024 -2.340 1.00 0.00 C ATOM 0 HA PRO A 71 -6.760 8.967 -4.054 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.575 10.239 -4.238 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -9.210 8.579 -3.809 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -9.521 10.470 -1.891 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -8.372 9.162 -1.689 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -7.776 12.002 -1.966 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.629 10.698 -1.733 1.00 0.00 H new ATOM 1101 N THR A 72 -6.159 9.857 -6.300 1.00 0.00 N ATOM 1102 CA THR A 72 -5.786 9.598 -7.667 1.00 0.00 C ATOM 1103 C THR A 72 -4.467 8.847 -7.696 1.00 0.00 C ATOM 1104 O THR A 72 -4.374 7.777 -8.286 1.00 0.00 O ATOM 1105 CB THR A 72 -5.654 10.902 -8.465 1.00 0.00 C ATOM 1106 OG1 THR A 72 -5.050 11.910 -7.648 1.00 0.00 O ATOM 1107 CG2 THR A 72 -7.011 11.374 -8.938 1.00 0.00 C ATOM 0 H THR A 72 -5.395 10.220 -5.731 1.00 0.00 H new ATOM 0 HA THR A 72 -6.569 8.996 -8.128 1.00 0.00 H new ATOM 0 HB THR A 72 -5.026 10.716 -9.336 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.685 12.197 -6.959 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.898 12.300 -9.502 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.459 10.613 -9.576 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.655 11.550 -8.077 1.00 0.00 H new ATOM 1115 N GLU A 73 -3.459 9.390 -7.012 1.00 0.00 N ATOM 1116 CA GLU A 73 -2.136 8.774 -6.998 1.00 0.00 C ATOM 1117 C GLU A 73 -1.499 8.929 -5.633 1.00 0.00 C ATOM 1118 O GLU A 73 -1.511 10.002 -5.038 1.00 0.00 O ATOM 1119 CB GLU A 73 -1.225 9.395 -8.062 1.00 0.00 C ATOM 1120 CG GLU A 73 0.104 8.668 -8.202 1.00 0.00 C ATOM 1121 CD GLU A 73 1.014 9.284 -9.239 1.00 0.00 C ATOM 1122 OE1 GLU A 73 0.720 9.156 -10.446 1.00 0.00 O ATOM 1123 OE2 GLU A 73 2.034 9.888 -8.854 1.00 0.00 O ATOM 0 H GLU A 73 -3.534 10.248 -6.465 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.260 7.715 -7.223 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.740 9.388 -9.023 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.038 10.438 -7.808 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.612 8.665 -7.238 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.085 7.627 -8.466 1.00 0.00 H new ATOM 1130 N LEU A 74 -0.963 7.848 -5.137 1.00 0.00 N ATOM 1131 CA LEU A 74 -0.215 7.865 -3.915 1.00 0.00 C ATOM 1132 C LEU A 74 1.095 7.178 -4.178 1.00 0.00 C ATOM 1133 O LEU A 74 1.107 6.071 -4.656 1.00 0.00 O ATOM 1134 CB LEU A 74 -1.029 7.110 -2.867 1.00 0.00 C ATOM 1135 CG LEU A 74 -0.484 7.051 -1.465 1.00 0.00 C ATOM 1136 CD1 LEU A 74 -1.621 6.759 -0.525 1.00 0.00 C ATOM 1137 CD2 LEU A 74 0.577 5.994 -1.319 1.00 0.00 C ATOM 0 H LEU A 74 -1.034 6.928 -5.572 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.023 8.876 -3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.020 7.562 -2.823 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.161 6.087 -3.219 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.022 8.010 -1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.245 6.712 0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.368 7.549 -0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.075 5.804 -0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.943 5.985 -0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.155 5.019 -1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.403 6.211 -1.997 1.00 0.00 H new ATOM 1149 N SER A 75 2.188 7.821 -3.888 1.00 0.00 N ATOM 1150 CA SER A 75 3.479 7.174 -4.052 1.00 0.00 C ATOM 1151 C SER A 75 4.364 7.494 -2.887 1.00 0.00 C ATOM 1152 O SER A 75 4.569 8.653 -2.570 1.00 0.00 O ATOM 1153 CB SER A 75 4.160 7.636 -5.330 1.00 0.00 C ATOM 1154 OG SER A 75 3.395 7.311 -6.477 1.00 0.00 O ATOM 0 H SER A 75 2.224 8.779 -3.541 1.00 0.00 H new ATOM 0 HA SER A 75 3.311 6.099 -4.108 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.316 8.714 -5.290 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.144 7.174 -5.406 1.00 0.00 H new ATOM 0 HG SER A 75 3.861 7.624 -7.280 1.00 0.00 H new ATOM 1160 N PHE A 76 4.892 6.483 -2.259 1.00 0.00 N ATOM 1161 CA PHE A 76 5.787 6.685 -1.154 1.00 0.00 C ATOM 1162 C PHE A 76 6.768 5.537 -1.056 1.00 0.00 C ATOM 1163 O PHE A 76 6.488 4.444 -1.537 1.00 0.00 O ATOM 1164 CB PHE A 76 4.989 6.987 0.121 1.00 0.00 C ATOM 1165 CG PHE A 76 4.390 5.821 0.862 1.00 0.00 C ATOM 1166 CD1 PHE A 76 3.225 5.205 0.419 1.00 0.00 C ATOM 1167 CD2 PHE A 76 4.985 5.362 2.025 1.00 0.00 C ATOM 1168 CE1 PHE A 76 2.676 4.148 1.128 1.00 0.00 C ATOM 1169 CE2 PHE A 76 4.440 4.309 2.735 1.00 0.00 C ATOM 1170 CZ PHE A 76 3.288 3.699 2.284 1.00 0.00 C ATOM 0 H PHE A 76 4.718 5.506 -2.494 1.00 0.00 H new ATOM 0 HA PHE A 76 6.408 7.566 -1.313 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.645 7.521 0.809 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.180 7.669 -0.143 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.745 5.552 -0.484 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.888 5.834 2.383 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.770 3.675 0.778 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.915 3.964 3.641 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.864 2.871 2.833 1.00 0.00 H new ATOM 1180 N GLU A 77 7.912 5.779 -0.459 1.00 0.00 N ATOM 1181 CA GLU A 77 8.919 4.736 -0.354 1.00 0.00 C ATOM 1182 C GLU A 77 9.164 4.447 1.102 1.00 0.00 C ATOM 1183 O GLU A 77 9.377 5.361 1.897 1.00 0.00 O ATOM 1184 CB GLU A 77 10.251 5.147 -0.994 1.00 0.00 C ATOM 1185 CG GLU A 77 10.259 5.164 -2.513 1.00 0.00 C ATOM 1186 CD GLU A 77 11.629 5.480 -3.077 1.00 0.00 C ATOM 1187 OE1 GLU A 77 11.972 6.674 -3.201 1.00 0.00 O ATOM 1188 OE2 GLU A 77 12.382 4.535 -3.393 1.00 0.00 O ATOM 0 H GLU A 77 8.171 6.673 -0.043 1.00 0.00 H new ATOM 0 HA GLU A 77 8.545 3.859 -0.883 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.518 6.141 -0.634 1.00 0.00 H new ATOM 0 HB3 GLU A 77 11.028 4.464 -0.650 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.929 4.195 -2.887 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.542 5.904 -2.870 1.00 0.00 H new ATOM 1307 N VAL A 85 6.120 2.347 -3.328 1.00 0.00 N ATOM 1308 CA VAL A 85 4.791 1.795 -3.337 1.00 0.00 C ATOM 1309 C VAL A 85 3.775 2.872 -3.694 1.00 0.00 C ATOM 1310 O VAL A 85 3.742 3.947 -3.088 1.00 0.00 O ATOM 1311 CB VAL A 85 4.461 1.136 -1.975 1.00 0.00 C ATOM 1312 CG1 VAL A 85 5.236 -0.158 -1.820 1.00 0.00 C ATOM 1313 CG2 VAL A 85 4.791 2.059 -0.812 1.00 0.00 C ATOM 0 HA VAL A 85 4.740 1.017 -4.099 1.00 0.00 H new ATOM 0 HB VAL A 85 3.390 0.932 -1.961 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.996 -0.613 -0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.965 -0.843 -2.623 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.305 0.050 -1.866 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.546 1.563 0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.854 2.300 -0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.210 2.977 -0.900 1.00 0.00 H new ATOM 1323 N THR A 86 2.960 2.578 -4.690 1.00 0.00 N ATOM 1324 CA THR A 86 2.054 3.555 -5.249 1.00 0.00 C ATOM 1325 C THR A 86 0.613 3.048 -5.268 1.00 0.00 C ATOM 1326 O THR A 86 0.342 1.911 -5.626 1.00 0.00 O ATOM 1327 CB THR A 86 2.487 3.942 -6.683 1.00 0.00 C ATOM 1328 OG1 THR A 86 3.780 4.559 -6.648 1.00 0.00 O ATOM 1329 CG2 THR A 86 1.479 4.901 -7.328 1.00 0.00 C ATOM 0 H THR A 86 2.910 1.659 -5.130 1.00 0.00 H new ATOM 0 HA THR A 86 2.096 4.435 -4.607 1.00 0.00 H new ATOM 0 HB THR A 86 2.526 3.032 -7.282 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.677 5.534 -6.637 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.811 5.155 -8.335 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.501 4.422 -7.378 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.407 5.810 -6.730 1.00 0.00 H new ATOM 1337 N PHE A 87 -0.312 3.898 -4.883 1.00 0.00 N ATOM 1338 CA PHE A 87 -1.714 3.566 -4.959 1.00 0.00 C ATOM 1339 C PHE A 87 -2.354 4.431 -6.038 1.00 0.00 C ATOM 1340 O PHE A 87 -2.161 5.640 -6.063 1.00 0.00 O ATOM 1341 CB PHE A 87 -2.390 3.781 -3.588 1.00 0.00 C ATOM 1342 CG PHE A 87 -1.798 2.928 -2.488 1.00 0.00 C ATOM 1343 CD1 PHE A 87 -1.263 1.681 -2.772 1.00 0.00 C ATOM 1344 CD2 PHE A 87 -1.764 3.376 -1.177 1.00 0.00 C ATOM 1345 CE1 PHE A 87 -0.698 0.901 -1.776 1.00 0.00 C ATOM 1346 CE2 PHE A 87 -1.204 2.600 -0.181 1.00 0.00 C ATOM 1347 CZ PHE A 87 -0.666 1.360 -0.485 1.00 0.00 C ATOM 0 H PHE A 87 -0.116 4.828 -4.513 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.842 2.515 -5.220 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.305 4.831 -3.309 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.454 3.560 -3.677 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.287 1.311 -3.787 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.180 4.342 -0.932 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.284 -0.067 -2.016 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.185 2.961 0.837 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.223 0.757 0.293 1.00 0.00 H new ATOM 1357 N GLN A 88 -3.098 3.808 -6.932 1.00 0.00 N ATOM 1358 CA GLN A 88 -3.756 4.527 -8.015 1.00 0.00 C ATOM 1359 C GLN A 88 -5.265 4.434 -7.883 1.00 0.00 C ATOM 1360 O GLN A 88 -5.832 3.357 -7.726 1.00 0.00 O ATOM 1361 CB GLN A 88 -3.305 3.983 -9.354 1.00 0.00 C ATOM 1362 CG GLN A 88 -2.130 4.739 -9.925 1.00 0.00 C ATOM 1363 CD GLN A 88 -2.507 6.061 -10.562 1.00 0.00 C ATOM 1364 OE1 GLN A 88 -2.422 7.107 -9.937 1.00 0.00 O ATOM 1365 NE2 GLN A 88 -2.947 6.017 -11.808 1.00 0.00 N ATOM 0 H GLN A 88 -3.264 2.802 -6.932 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.474 5.578 -7.953 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.036 2.933 -9.243 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.136 4.027 -10.058 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.406 4.922 -9.131 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.635 4.115 -10.669 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.004 5.124 -12.298 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -3.230 6.876 -12.280 1.00 0.00 H new ATOM 1374 N LEU A 89 -5.890 5.580 -7.916 1.00 0.00 N ATOM 1375 CA LEU A 89 -7.309 5.703 -7.639 1.00 0.00 C ATOM 1376 C LEU A 89 -8.090 6.364 -8.777 1.00 0.00 C ATOM 1377 O LEU A 89 -7.580 7.251 -9.462 1.00 0.00 O ATOM 1378 CB LEU A 89 -7.512 6.432 -6.325 1.00 0.00 C ATOM 1379 CG LEU A 89 -8.200 5.612 -5.242 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -8.283 6.414 -3.965 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -9.586 5.179 -5.691 1.00 0.00 C ATOM 0 H LEU A 89 -5.432 6.465 -8.137 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.715 4.695 -7.556 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.541 6.759 -5.953 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.101 7.330 -6.511 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.611 4.714 -5.058 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.776 5.821 -3.195 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.278 6.676 -3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.855 7.325 -4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.058 4.595 -4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.192 6.060 -5.902 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -9.503 4.571 -6.592 1.00 0.00 H new ATOM 1393 N GLU A 90 -9.319 5.905 -8.982 1.00 0.00 N ATOM 1394 CA GLU A 90 -10.223 6.503 -9.954 1.00 0.00 C ATOM 1395 C GLU A 90 -11.361 7.188 -9.206 1.00 0.00 C ATOM 1396 O GLU A 90 -12.103 6.530 -8.461 1.00 0.00 O ATOM 1397 CB GLU A 90 -10.754 5.391 -10.882 1.00 0.00 C ATOM 1398 CG GLU A 90 -12.223 5.509 -11.301 1.00 0.00 C ATOM 1399 CD GLU A 90 -12.685 4.309 -12.111 1.00 0.00 C ATOM 1400 OE1 GLU A 90 -12.043 3.996 -13.137 1.00 0.00 O ATOM 1401 OE2 GLU A 90 -13.692 3.678 -11.733 1.00 0.00 O ATOM 0 H GLU A 90 -9.715 5.110 -8.480 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.710 7.248 -10.562 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -10.140 5.373 -11.783 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -10.615 4.432 -10.383 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -12.846 5.607 -10.412 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.360 6.417 -11.889 1.00 0.00 H new ATOM 1408 N ASP A 91 -11.492 8.505 -9.415 1.00 0.00 N ATOM 1409 CA ASP A 91 -12.466 9.309 -8.685 1.00 0.00 C ATOM 1410 C ASP A 91 -13.805 9.215 -9.336 1.00 0.00 C ATOM 1411 O ASP A 91 -14.012 9.774 -10.413 1.00 0.00 O ATOM 1412 CB ASP A 91 -12.147 10.808 -8.675 1.00 0.00 C ATOM 1413 CG ASP A 91 -10.722 11.181 -9.035 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -10.253 10.776 -10.121 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -10.091 11.940 -8.272 1.00 0.00 O ATOM 0 H ASP A 91 -10.932 9.031 -10.086 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.442 8.912 -7.670 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -12.821 11.308 -9.371 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.366 11.200 -7.682 1.00 0.00 H new ATOM 1461 N LYS A 95 -18.400 4.726 -7.985 1.00 0.00 N ATOM 1462 CA LYS A 95 -17.621 3.886 -7.144 1.00 0.00 C ATOM 1463 C LYS A 95 -16.186 4.042 -7.608 1.00 0.00 C ATOM 1464 O LYS A 95 -15.928 4.732 -8.582 1.00 0.00 O ATOM 1465 CB LYS A 95 -18.075 2.448 -7.377 1.00 0.00 C ATOM 1466 CG LYS A 95 -18.048 2.051 -8.858 1.00 0.00 C ATOM 1467 CD LYS A 95 -16.755 1.343 -9.245 1.00 0.00 C ATOM 1468 CE LYS A 95 -15.788 2.238 -10.023 1.00 0.00 C ATOM 1469 NZ LYS A 95 -16.072 2.267 -11.479 1.00 0.00 N ATOM 0 HA LYS A 95 -17.722 4.136 -6.088 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -17.432 1.773 -6.812 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -19.086 2.324 -6.990 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -18.895 1.399 -9.072 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -18.169 2.943 -9.473 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -16.261 0.983 -8.342 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -16.994 0.467 -9.848 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -15.842 3.252 -9.627 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -14.768 1.887 -9.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -15.310 2.776 -11.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -16.128 1.294 -11.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -16.977 2.752 -11.647 1.00 0.00 H new ATOM 1483 N THR A 96 -15.252 3.436 -6.941 1.00 0.00 N ATOM 1484 CA THR A 96 -13.889 3.860 -7.066 1.00 0.00 C ATOM 1485 C THR A 96 -13.070 2.808 -7.758 1.00 0.00 C ATOM 1486 O THR A 96 -13.100 1.635 -7.398 1.00 0.00 O ATOM 1487 CB THR A 96 -13.312 4.139 -5.669 1.00 0.00 C ATOM 1488 OG1 THR A 96 -14.192 3.607 -4.679 1.00 0.00 O ATOM 1489 CG2 THR A 96 -13.119 5.630 -5.430 1.00 0.00 C ATOM 0 H THR A 96 -15.405 2.651 -6.308 1.00 0.00 H new ATOM 0 HA THR A 96 -13.855 4.770 -7.664 1.00 0.00 H new ATOM 0 HB THR A 96 -12.336 3.659 -5.603 1.00 0.00 H new ATOM 0 HG1 THR A 96 -14.904 4.254 -4.493 1.00 0.00 H new ATOM 0 HG21 THR A 96 -12.710 5.789 -4.432 1.00 0.00 H new ATOM 0 HG22 THR A 96 -12.430 6.031 -6.173 1.00 0.00 H new ATOM 0 HG23 THR A 96 -14.079 6.139 -5.513 1.00 0.00 H new ATOM 1497 N GLY A 97 -12.338 3.214 -8.763 1.00 0.00 N ATOM 1498 CA GLY A 97 -11.564 2.235 -9.490 1.00 0.00 C ATOM 1499 C GLY A 97 -10.164 2.182 -8.966 1.00 0.00 C ATOM 1500 O GLY A 97 -9.421 3.154 -9.055 1.00 0.00 O ATOM 0 H GLY A 97 -12.260 4.177 -9.090 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.030 1.254 -9.400 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -11.553 2.486 -10.551 1.00 0.00 H new ATOM 1504 N PHE A 98 -9.796 1.056 -8.394 1.00 0.00 N ATOM 1505 CA PHE A 98 -8.535 0.991 -7.702 1.00 0.00 C ATOM 1506 C PHE A 98 -7.485 0.222 -8.477 1.00 0.00 C ATOM 1507 O PHE A 98 -7.718 -0.887 -8.963 1.00 0.00 O ATOM 1508 CB PHE A 98 -8.649 0.381 -6.313 1.00 0.00 C ATOM 1509 CG PHE A 98 -7.499 0.826 -5.457 1.00 0.00 C ATOM 1510 CD1 PHE A 98 -7.459 2.125 -4.972 1.00 0.00 C ATOM 1511 CD2 PHE A 98 -6.446 -0.021 -5.172 1.00 0.00 C ATOM 1512 CE1 PHE A 98 -6.394 2.567 -4.216 1.00 0.00 C ATOM 1513 CE2 PHE A 98 -5.380 0.414 -4.412 1.00 0.00 C ATOM 1514 CZ PHE A 98 -5.351 1.709 -3.935 1.00 0.00 C ATOM 0 H PHE A 98 -10.340 0.193 -8.395 1.00 0.00 H new ATOM 0 HA PHE A 98 -8.225 2.032 -7.607 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -9.591 0.679 -5.853 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -8.659 -0.707 -6.385 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -8.274 2.800 -5.190 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.457 -1.033 -5.548 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -6.376 3.581 -3.845 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -4.566 -0.260 -4.190 1.00 0.00 H new ATOM 0 HZ PHE A 98 -4.514 2.050 -3.343 1.00 0.00 H new ATOM 1524 N THR A 99 -6.337 0.838 -8.581 1.00 0.00 N ATOM 1525 CA THR A 99 -5.154 0.193 -9.099 1.00 0.00 C ATOM 1526 C THR A 99 -4.068 0.259 -8.046 1.00 0.00 C ATOM 1527 O THR A 99 -3.709 1.332 -7.587 1.00 0.00 O ATOM 1528 CB THR A 99 -4.664 0.857 -10.397 1.00 0.00 C ATOM 1529 OG1 THR A 99 -5.745 0.952 -11.331 1.00 0.00 O ATOM 1530 CG2 THR A 99 -3.518 0.068 -11.019 1.00 0.00 C ATOM 0 H THR A 99 -6.193 1.810 -8.307 1.00 0.00 H new ATOM 0 HA THR A 99 -5.397 -0.843 -9.335 1.00 0.00 H new ATOM 0 HB THR A 99 -4.300 1.855 -10.152 1.00 0.00 H new ATOM 0 HG1 THR A 99 -5.429 1.377 -12.155 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.192 0.561 -11.935 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.686 0.020 -10.317 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.855 -0.942 -11.251 1.00 0.00 H new ATOM 1538 N LEU A 100 -3.556 -0.871 -7.643 1.00 0.00 N ATOM 1539 CA LEU A 100 -2.520 -0.881 -6.644 1.00 0.00 C ATOM 1540 C LEU A 100 -1.201 -1.169 -7.311 1.00 0.00 C ATOM 1541 O LEU A 100 -1.094 -2.025 -8.179 1.00 0.00 O ATOM 1542 CB LEU A 100 -2.826 -1.939 -5.581 1.00 0.00 C ATOM 1543 CG LEU A 100 -2.075 -1.865 -4.234 1.00 0.00 C ATOM 1544 CD1 LEU A 100 -0.690 -1.285 -4.323 1.00 0.00 C ATOM 1545 CD2 LEU A 100 -2.907 -1.145 -3.200 1.00 0.00 C ATOM 0 H LEU A 100 -3.835 -1.790 -7.986 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.471 0.091 -6.153 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.894 -1.897 -5.368 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.627 -2.917 -6.019 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.927 -2.899 -3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.237 -1.271 -3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.082 -1.895 -4.991 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.746 -0.268 -4.711 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.360 -1.103 -2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.117 -0.132 -3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.845 -1.679 -3.052 1.00 0.00 H new ATOM 1557 N ILE A 101 -0.210 -0.426 -6.903 1.00 0.00 N ATOM 1558 CA ILE A 101 1.125 -0.603 -7.379 1.00 0.00 C ATOM 1559 C ILE A 101 2.062 -0.750 -6.188 1.00 0.00 C ATOM 1560 O ILE A 101 2.120 0.100 -5.308 1.00 0.00 O ATOM 1561 CB ILE A 101 1.553 0.623 -8.191 1.00 0.00 C ATOM 1562 CG1 ILE A 101 0.413 1.048 -9.125 1.00 0.00 C ATOM 1563 CG2 ILE A 101 2.825 0.331 -8.979 1.00 0.00 C ATOM 1564 CD1 ILE A 101 0.305 2.535 -9.300 1.00 0.00 C ATOM 0 H ILE A 101 -0.312 0.327 -6.223 1.00 0.00 H new ATOM 0 HA ILE A 101 1.168 -1.492 -8.008 1.00 0.00 H new ATOM 0 HB ILE A 101 1.769 1.444 -7.507 1.00 0.00 H new ATOM 0 HG12 ILE A 101 0.562 0.585 -10.101 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -0.529 0.667 -8.732 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.111 1.215 -9.549 1.00 0.00 H new ATOM 0 HG22 ILE A 101 3.628 0.068 -8.290 1.00 0.00 H new ATOM 0 HG23 ILE A 101 2.647 -0.499 -9.663 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -0.522 2.763 -9.973 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.125 3.003 -8.332 1.00 0.00 H new ATOM 0 HD13 ILE A 101 1.233 2.920 -9.722 1.00 0.00 H new ATOM 1576 N HIS A 102 2.774 -1.829 -6.135 1.00 0.00 N ATOM 1577 CA HIS A 102 3.841 -1.966 -5.181 1.00 0.00 C ATOM 1578 C HIS A 102 5.090 -2.166 -5.978 1.00 0.00 C ATOM 1579 O HIS A 102 5.264 -3.182 -6.642 1.00 0.00 O ATOM 1580 CB HIS A 102 3.571 -3.134 -4.231 1.00 0.00 C ATOM 1581 CG HIS A 102 3.003 -2.706 -2.911 1.00 0.00 C ATOM 1582 ND1 HIS A 102 3.343 -3.317 -1.718 1.00 0.00 N ATOM 1583 CD2 HIS A 102 2.154 -1.691 -2.587 1.00 0.00 C ATOM 1584 CE1 HIS A 102 2.749 -2.689 -0.720 1.00 0.00 C ATOM 1585 NE2 HIS A 102 2.026 -1.702 -1.218 1.00 0.00 N ATOM 0 H HIS A 102 2.639 -2.637 -6.743 1.00 0.00 H new ATOM 0 HA HIS A 102 3.933 -1.084 -4.548 1.00 0.00 H new ATOM 0 HB2 HIS A 102 2.880 -3.829 -4.708 1.00 0.00 H new ATOM 0 HB3 HIS A 102 4.501 -3.676 -4.060 1.00 0.00 H new ATOM 0 HD2 HIS A 102 1.674 -1.009 -3.273 1.00 0.00 H new ATOM 0 HE1 HIS A 102 2.839 -2.940 0.327 1.00 0.00 H new ATOM 0 HE2 HIS A 102 1.462 -1.050 -0.673 1.00 0.00 H new ATOM 1881 N VAL A 122 8.285 -11.269 -2.432 1.00 0.00 N ATOM 1882 CA VAL A 122 7.552 -10.095 -2.005 1.00 0.00 C ATOM 1883 C VAL A 122 6.470 -9.728 -3.020 1.00 0.00 C ATOM 1884 O VAL A 122 5.372 -9.311 -2.651 1.00 0.00 O ATOM 1885 CB VAL A 122 8.497 -8.911 -1.755 1.00 0.00 C ATOM 1886 CG1 VAL A 122 9.176 -8.494 -3.034 1.00 0.00 C ATOM 1887 CG2 VAL A 122 7.763 -7.741 -1.117 1.00 0.00 C ATOM 0 HA VAL A 122 7.062 -10.333 -1.061 1.00 0.00 H new ATOM 0 HB VAL A 122 9.265 -9.237 -1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 122 9.841 -7.654 -2.836 1.00 0.00 H new ATOM 0 HG12 VAL A 122 9.754 -9.330 -3.428 1.00 0.00 H new ATOM 0 HG13 VAL A 122 8.424 -8.197 -3.765 1.00 0.00 H new ATOM 0 HG21 VAL A 122 8.461 -6.920 -0.953 1.00 0.00 H new ATOM 0 HG22 VAL A 122 6.962 -7.410 -1.778 1.00 0.00 H new ATOM 0 HG23 VAL A 122 7.340 -8.054 -0.162 1.00 0.00 H new ATOM 1897 N ARG A 123 6.774 -9.902 -4.303 1.00 0.00 N ATOM 1898 CA ARG A 123 5.778 -9.678 -5.340 1.00 0.00 C ATOM 1899 C ARG A 123 4.704 -10.749 -5.242 1.00 0.00 C ATOM 1900 O ARG A 123 3.550 -10.517 -5.581 1.00 0.00 O ATOM 1901 CB ARG A 123 6.415 -9.599 -6.746 1.00 0.00 C ATOM 1902 CG ARG A 123 7.059 -10.877 -7.272 1.00 0.00 C ATOM 1903 CD ARG A 123 6.041 -11.843 -7.872 1.00 0.00 C ATOM 1904 NE ARG A 123 5.284 -11.234 -8.965 1.00 0.00 N ATOM 1905 CZ ARG A 123 4.147 -11.727 -9.454 1.00 0.00 C ATOM 1906 NH1 ARG A 123 3.649 -12.864 -8.982 1.00 0.00 N ATOM 1907 NH2 ARG A 123 3.516 -11.085 -10.430 1.00 0.00 N ATOM 0 H ARG A 123 7.690 -10.194 -4.644 1.00 0.00 H new ATOM 0 HA ARG A 123 5.309 -8.707 -5.181 1.00 0.00 H new ATOM 0 HB2 ARG A 123 5.645 -9.289 -7.453 1.00 0.00 H new ATOM 0 HB3 ARG A 123 7.172 -8.815 -6.734 1.00 0.00 H new ATOM 0 HG2 ARG A 123 7.801 -10.621 -8.028 1.00 0.00 H new ATOM 0 HG3 ARG A 123 7.590 -11.373 -6.460 1.00 0.00 H new ATOM 0 HD2 ARG A 123 6.556 -12.731 -8.239 1.00 0.00 H new ATOM 0 HD3 ARG A 123 5.352 -12.173 -7.094 1.00 0.00 H new ATOM 0 HE ARG A 123 5.650 -10.377 -9.380 1.00 0.00 H new ATOM 0 HH11 ARG A 123 4.137 -13.366 -8.240 1.00 0.00 H new ATOM 0 HH12 ARG A 123 2.778 -13.236 -9.361 1.00 0.00 H new ATOM 0 HH21 ARG A 123 3.902 -10.218 -10.803 1.00 0.00 H new ATOM 0 HH22 ARG A 123 2.645 -11.459 -10.807 1.00 0.00 H new ATOM 1921 N GLY A 124 5.102 -11.913 -4.744 1.00 0.00 N ATOM 1922 CA GLY A 124 4.152 -12.986 -4.491 1.00 0.00 C ATOM 1923 C GLY A 124 3.219 -12.639 -3.344 1.00 0.00 C ATOM 1924 O GLY A 124 2.029 -12.988 -3.356 1.00 0.00 O ATOM 0 H GLY A 124 6.069 -12.136 -4.509 1.00 0.00 H new ATOM 0 HA2 GLY A 124 3.569 -13.178 -5.392 1.00 0.00 H new ATOM 0 HA3 GLY A 124 4.691 -13.904 -4.259 1.00 0.00 H new ATOM 1928 N LYS A 125 3.751 -11.904 -2.371 1.00 0.00 N ATOM 1929 CA LYS A 125 2.971 -11.435 -1.234 1.00 0.00 C ATOM 1930 C LYS A 125 1.846 -10.566 -1.724 1.00 0.00 C ATOM 1931 O LYS A 125 0.704 -10.665 -1.280 1.00 0.00 O ATOM 1932 CB LYS A 125 3.859 -10.601 -0.329 1.00 0.00 C ATOM 1933 CG LYS A 125 5.168 -11.295 -0.030 1.00 0.00 C ATOM 1934 CD LYS A 125 6.000 -10.537 0.991 1.00 0.00 C ATOM 1935 CE LYS A 125 5.360 -10.566 2.371 1.00 0.00 C ATOM 1936 NZ LYS A 125 5.297 -11.943 2.933 1.00 0.00 N ATOM 0 H LYS A 125 4.730 -11.619 -2.350 1.00 0.00 H new ATOM 0 HA LYS A 125 2.574 -12.293 -0.691 1.00 0.00 H new ATOM 0 HB2 LYS A 125 4.058 -9.639 -0.801 1.00 0.00 H new ATOM 0 HB3 LYS A 125 3.335 -10.396 0.605 1.00 0.00 H new ATOM 0 HG2 LYS A 125 4.968 -12.300 0.341 1.00 0.00 H new ATOM 0 HG3 LYS A 125 5.739 -11.404 -0.952 1.00 0.00 H new ATOM 0 HD2 LYS A 125 6.998 -10.973 1.043 1.00 0.00 H new ATOM 0 HD3 LYS A 125 6.120 -9.503 0.667 1.00 0.00 H new ATOM 0 HE2 LYS A 125 5.927 -9.925 3.046 1.00 0.00 H new ATOM 0 HE3 LYS A 125 4.353 -10.153 2.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 5.096 -11.893 3.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 4.542 -12.478 2.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 6.208 -12.421 2.783 1.00 0.00 H new ATOM 1950 N MET A 126 2.198 -9.734 -2.675 1.00 0.00 N ATOM 1951 CA MET A 126 1.260 -8.828 -3.287 1.00 0.00 C ATOM 1952 C MET A 126 0.386 -9.590 -4.270 1.00 0.00 C ATOM 1953 O MET A 126 -0.747 -9.224 -4.533 1.00 0.00 O ATOM 1954 CB MET A 126 2.033 -7.721 -4.001 1.00 0.00 C ATOM 1955 CG MET A 126 3.238 -7.232 -3.204 1.00 0.00 C ATOM 1956 SD MET A 126 2.786 -6.508 -1.613 1.00 0.00 S ATOM 1957 CE MET A 126 4.383 -6.451 -0.804 1.00 0.00 C ATOM 0 H MET A 126 3.146 -9.667 -3.046 1.00 0.00 H new ATOM 0 HA MET A 126 0.618 -8.381 -2.527 1.00 0.00 H new ATOM 0 HB2 MET A 126 2.369 -8.087 -4.971 1.00 0.00 H new ATOM 0 HB3 MET A 126 1.364 -6.882 -4.191 1.00 0.00 H new ATOM 0 HG2 MET A 126 3.919 -8.067 -3.037 1.00 0.00 H new ATOM 0 HG3 MET A 126 3.780 -6.492 -3.793 1.00 0.00 H new ATOM 0 HE1 MET A 126 4.256 -6.127 0.229 1.00 0.00 H new ATOM 0 HE2 MET A 126 4.835 -7.443 -0.820 1.00 0.00 H new ATOM 0 HE3 MET A 126 5.031 -5.749 -1.328 1.00 0.00 H new ATOM 1967 N ASP A 127 0.889 -10.703 -4.758 1.00 0.00 N ATOM 1968 CA ASP A 127 0.219 -11.393 -5.848 1.00 0.00 C ATOM 1969 C ASP A 127 -0.957 -12.222 -5.340 1.00 0.00 C ATOM 1970 O ASP A 127 -1.818 -12.642 -6.111 1.00 0.00 O ATOM 1971 CB ASP A 127 1.217 -12.282 -6.576 1.00 0.00 C ATOM 1972 CG ASP A 127 0.694 -12.760 -7.916 1.00 0.00 C ATOM 1973 OD1 ASP A 127 0.114 -11.943 -8.664 1.00 0.00 O ATOM 1974 OD2 ASP A 127 0.886 -13.947 -8.238 1.00 0.00 O ATOM 0 H ASP A 127 1.745 -11.147 -4.427 1.00 0.00 H new ATOM 0 HA ASP A 127 -0.176 -10.648 -6.538 1.00 0.00 H new ATOM 0 HB2 ASP A 127 2.146 -11.733 -6.727 1.00 0.00 H new ATOM 0 HB3 ASP A 127 1.454 -13.144 -5.953 1.00 0.00 H new ATOM 1979 N GLY A 128 -1.009 -12.432 -4.037 1.00 0.00 N ATOM 1980 CA GLY A 128 -2.189 -13.048 -3.442 1.00 0.00 C ATOM 1981 C GLY A 128 -2.823 -12.166 -2.381 1.00 0.00 C ATOM 1982 O GLY A 128 -4.036 -11.880 -2.408 1.00 0.00 O ATOM 0 H GLY A 128 -0.267 -12.192 -3.379 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -2.920 -13.257 -4.223 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -1.913 -14.005 -2.999 1.00 0.00 H new ATOM 1986 N GLY A 129 -1.991 -11.706 -1.460 1.00 0.00 N ATOM 1987 CA GLY A 129 -2.468 -10.912 -0.356 1.00 0.00 C ATOM 1988 C GLY A 129 -3.111 -9.620 -0.801 1.00 0.00 C ATOM 1989 O GLY A 129 -4.004 -9.111 -0.132 1.00 0.00 O ATOM 0 H GLY A 129 -0.985 -11.872 -1.461 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -3.189 -11.493 0.219 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -1.636 -10.688 0.311 1.00 0.00 H new ATOM 1993 N TRP A 130 -2.688 -9.093 -1.945 1.00 0.00 N ATOM 1994 CA TRP A 130 -3.178 -7.804 -2.391 1.00 0.00 C ATOM 1995 C TRP A 130 -4.646 -7.847 -2.817 1.00 0.00 C ATOM 1996 O TRP A 130 -5.324 -6.829 -2.765 1.00 0.00 O ATOM 1997 CB TRP A 130 -2.320 -7.278 -3.524 1.00 0.00 C ATOM 1998 CG TRP A 130 -1.598 -6.002 -3.230 1.00 0.00 C ATOM 1999 CD1 TRP A 130 -0.873 -5.279 -4.123 1.00 0.00 C ATOM 2000 CD2 TRP A 130 -1.524 -5.291 -1.983 1.00 0.00 C ATOM 2001 NE1 TRP A 130 -0.378 -4.156 -3.529 1.00 0.00 N ATOM 2002 CE2 TRP A 130 -0.770 -4.130 -2.219 1.00 0.00 C ATOM 2003 CE3 TRP A 130 -2.032 -5.505 -0.697 1.00 0.00 C ATOM 2004 CZ2 TRP A 130 -0.518 -3.186 -1.228 1.00 0.00 C ATOM 2005 CZ3 TRP A 130 -1.774 -4.571 0.284 1.00 0.00 C ATOM 2006 CH2 TRP A 130 -1.029 -3.422 0.013 1.00 0.00 C ATOM 0 H TRP A 130 -2.015 -9.536 -2.570 1.00 0.00 H new ATOM 0 HA TRP A 130 -3.112 -7.128 -1.539 1.00 0.00 H new ATOM 0 HB2 TRP A 130 -1.587 -8.040 -3.789 1.00 0.00 H new ATOM 0 HB3 TRP A 130 -2.953 -7.127 -4.399 1.00 0.00 H new ATOM 0 HD1 TRP A 130 -0.712 -5.554 -5.155 1.00 0.00 H new ATOM 0 HE1 TRP A 130 0.194 -3.448 -3.989 1.00 0.00 H new ATOM 0 HE3 TRP A 130 -2.616 -6.386 -0.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 0.062 -2.299 -1.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 -2.156 -4.732 1.281 1.00 0.00 H new ATOM 0 HH2 TRP A 130 -0.854 -2.706 0.802 1.00 0.00 H new ATOM 2017 N THR A 131 -5.164 -8.987 -3.259 1.00 0.00 N ATOM 2018 CA THR A 131 -6.590 -9.048 -3.521 1.00 0.00 C ATOM 2019 C THR A 131 -7.369 -9.285 -2.249 1.00 0.00 C ATOM 2020 O THR A 131 -8.421 -8.707 -2.058 1.00 0.00 O ATOM 2021 CB THR A 131 -7.010 -10.098 -4.548 1.00 0.00 C ATOM 2022 OG1 THR A 131 -6.220 -11.282 -4.395 1.00 0.00 O ATOM 2023 CG2 THR A 131 -6.888 -9.556 -5.964 1.00 0.00 C ATOM 0 H THR A 131 -4.642 -9.845 -3.436 1.00 0.00 H new ATOM 0 HA THR A 131 -6.823 -8.072 -3.947 1.00 0.00 H new ATOM 0 HB THR A 131 -8.056 -10.348 -4.373 1.00 0.00 H new ATOM 0 HG1 THR A 131 -6.498 -11.949 -5.057 1.00 0.00 H new ATOM 0 HG21 THR A 131 -7.193 -10.324 -6.675 1.00 0.00 H new ATOM 0 HG22 THR A 131 -7.530 -8.682 -6.076 1.00 0.00 H new ATOM 0 HG23 THR A 131 -5.853 -9.273 -6.157 1.00 0.00 H new ATOM 2031 N GLY A 132 -6.875 -10.120 -1.370 1.00 0.00 N ATOM 2032 CA GLY A 132 -7.545 -10.244 -0.102 1.00 0.00 C ATOM 2033 C GLY A 132 -7.615 -8.897 0.576 1.00 0.00 C ATOM 2034 O GLY A 132 -8.693 -8.385 0.882 1.00 0.00 O ATOM 0 H GLY A 132 -6.047 -10.701 -1.499 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -8.550 -10.639 -0.249 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -7.013 -10.953 0.532 1.00 0.00 H new ATOM 2038 N ILE A 133 -6.462 -8.279 0.691 1.00 0.00 N ATOM 2039 CA ILE A 133 -6.327 -7.034 1.406 1.00 0.00 C ATOM 2040 C ILE A 133 -6.867 -5.836 0.621 1.00 0.00 C ATOM 2041 O ILE A 133 -7.752 -5.140 1.094 1.00 0.00 O ATOM 2042 CB ILE A 133 -4.838 -6.824 1.700 1.00 0.00 C ATOM 2043 CG1 ILE A 133 -4.384 -7.796 2.792 1.00 0.00 C ATOM 2044 CG2 ILE A 133 -4.538 -5.388 2.076 1.00 0.00 C ATOM 2045 CD1 ILE A 133 -2.889 -7.819 3.006 1.00 0.00 C ATOM 0 H ILE A 133 -5.591 -8.627 0.290 1.00 0.00 H new ATOM 0 HA ILE A 133 -6.916 -7.097 2.321 1.00 0.00 H new ATOM 0 HB ILE A 133 -4.274 -7.032 0.791 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -4.872 -7.528 3.729 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -4.720 -8.800 2.534 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -3.472 -5.280 2.277 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -4.821 -4.730 1.254 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -5.104 -5.119 2.968 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -2.645 -8.531 3.795 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -2.394 -8.117 2.082 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -2.548 -6.825 3.296 1.00 0.00 H new ATOM 2057 N VAL A 134 -6.387 -5.612 -0.591 1.00 0.00 N ATOM 2058 CA VAL A 134 -6.854 -4.469 -1.355 1.00 0.00 C ATOM 2059 C VAL A 134 -8.163 -4.780 -2.053 1.00 0.00 C ATOM 2060 O VAL A 134 -9.099 -3.997 -2.004 1.00 0.00 O ATOM 2061 CB VAL A 134 -5.830 -4.001 -2.399 1.00 0.00 C ATOM 2062 CG1 VAL A 134 -6.289 -2.714 -3.024 1.00 0.00 C ATOM 2063 CG2 VAL A 134 -4.480 -3.792 -1.767 1.00 0.00 C ATOM 0 H VAL A 134 -5.690 -6.192 -1.058 1.00 0.00 H new ATOM 0 HA VAL A 134 -7.000 -3.663 -0.635 1.00 0.00 H new ATOM 0 HB VAL A 134 -5.746 -4.773 -3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 134 -5.558 -2.388 -3.764 1.00 0.00 H new ATOM 0 HG12 VAL A 134 -7.252 -2.869 -3.510 1.00 0.00 H new ATOM 0 HG13 VAL A 134 -6.390 -1.951 -2.253 1.00 0.00 H new ATOM 0 HG21 VAL A 134 -3.771 -3.461 -2.525 1.00 0.00 H new ATOM 0 HG22 VAL A 134 -4.557 -3.035 -0.987 1.00 0.00 H new ATOM 0 HG23 VAL A 134 -4.134 -4.729 -1.331 1.00 0.00 H new ATOM 2073 N ASN A 135 -8.270 -5.955 -2.647 1.00 0.00 N ATOM 2074 CA ASN A 135 -9.435 -6.228 -3.466 1.00 0.00 C ATOM 2075 C ASN A 135 -10.629 -6.426 -2.572 1.00 0.00 C ATOM 2076 O ASN A 135 -11.717 -5.923 -2.849 1.00 0.00 O ATOM 2077 CB ASN A 135 -9.215 -7.455 -4.360 1.00 0.00 C ATOM 2078 CG ASN A 135 -10.463 -7.939 -5.079 1.00 0.00 C ATOM 2079 OD1 ASN A 135 -11.244 -8.710 -4.526 1.00 0.00 O ATOM 2080 ND2 ASN A 135 -10.635 -7.534 -6.327 1.00 0.00 N ATOM 0 H ASN A 135 -7.589 -6.712 -2.582 1.00 0.00 H new ATOM 0 HA ASN A 135 -9.610 -5.378 -4.125 1.00 0.00 H new ATOM 0 HB2 ASN A 135 -8.452 -7.217 -5.102 1.00 0.00 H new ATOM 0 HB3 ASN A 135 -8.823 -8.269 -3.750 1.00 0.00 H new ATOM 0 HD21 ASN A 135 -11.438 -7.863 -6.864 1.00 0.00 H new ATOM 0 HD22 ASN A 135 -9.965 -6.893 -6.752 1.00 0.00 H new ATOM 2087 N GLU A 136 -10.432 -7.113 -1.462 1.00 0.00 N ATOM 2088 CA GLU A 136 -11.548 -7.369 -0.622 1.00 0.00 C ATOM 2089 C GLU A 136 -11.631 -6.367 0.525 1.00 0.00 C ATOM 2090 O GLU A 136 -12.679 -5.772 0.723 1.00 0.00 O ATOM 2091 CB GLU A 136 -11.492 -8.830 -0.168 1.00 0.00 C ATOM 2092 CG GLU A 136 -12.277 -9.116 1.100 1.00 0.00 C ATOM 2093 CD GLU A 136 -12.548 -10.592 1.299 1.00 0.00 C ATOM 2094 OE1 GLU A 136 -13.407 -11.147 0.583 1.00 0.00 O ATOM 2095 OE2 GLU A 136 -11.905 -11.201 2.176 1.00 0.00 O ATOM 0 H GLU A 136 -9.537 -7.485 -1.143 1.00 0.00 H new ATOM 0 HA GLU A 136 -12.477 -7.227 -1.175 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -11.873 -9.463 -0.969 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -10.451 -9.110 -0.009 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -11.725 -8.733 1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -13.225 -8.578 1.065 1.00 0.00 H new ATOM 2102 N ARG A 137 -10.518 -6.083 1.198 1.00 0.00 N ATOM 2103 CA ARG A 137 -10.545 -5.196 2.357 1.00 0.00 C ATOM 2104 C ARG A 137 -10.526 -3.730 1.982 1.00 0.00 C ATOM 2105 O ARG A 137 -11.102 -2.934 2.685 1.00 0.00 O ATOM 2106 CB ARG A 137 -9.441 -5.516 3.361 1.00 0.00 C ATOM 2107 CG ARG A 137 -9.049 -4.355 4.291 1.00 0.00 C ATOM 2108 CD ARG A 137 -10.199 -3.894 5.189 1.00 0.00 C ATOM 2109 NE ARG A 137 -10.538 -4.876 6.215 1.00 0.00 N ATOM 2110 CZ ARG A 137 -11.552 -4.739 7.069 1.00 0.00 C ATOM 2111 NH1 ARG A 137 -12.350 -3.680 6.998 1.00 0.00 N ATOM 2112 NH2 ARG A 137 -11.765 -5.656 7.999 1.00 0.00 N ATOM 0 H ARG A 137 -9.596 -6.450 0.964 1.00 0.00 H new ATOM 0 HA ARG A 137 -11.501 -5.388 2.844 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -9.761 -6.359 3.973 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -8.555 -5.838 2.813 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -8.210 -4.664 4.914 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -8.706 -3.514 3.688 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -9.927 -2.953 5.667 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -11.078 -3.697 4.575 1.00 0.00 H new ATOM 0 HE ARG A 137 -9.965 -5.717 6.282 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -12.188 -2.966 6.287 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -13.125 -3.580 7.654 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -11.153 -6.469 8.063 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -12.541 -5.550 8.652 1.00 0.00 H new ATOM 2126 N LEU A 138 -9.871 -3.343 0.911 1.00 0.00 N ATOM 2127 CA LEU A 138 -9.889 -1.937 0.564 1.00 0.00 C ATOM 2128 C LEU A 138 -11.313 -1.561 0.261 1.00 0.00 C ATOM 2129 O LEU A 138 -11.790 -0.533 0.707 1.00 0.00 O ATOM 2130 CB LEU A 138 -8.954 -1.629 -0.595 1.00 0.00 C ATOM 2131 CG LEU A 138 -8.789 -0.159 -0.942 1.00 0.00 C ATOM 2132 CD1 LEU A 138 -8.480 0.669 0.284 1.00 0.00 C ATOM 2133 CD2 LEU A 138 -7.682 -0.004 -1.947 1.00 0.00 C ATOM 0 H LEU A 138 -9.340 -3.950 0.287 1.00 0.00 H new ATOM 0 HA LEU A 138 -9.521 -1.340 1.398 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -7.972 -2.040 -0.363 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -9.318 -2.152 -1.479 1.00 0.00 H new ATOM 0 HG LEU A 138 -9.729 0.199 -1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -8.369 1.715 -0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -9.295 0.574 1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -7.554 0.316 0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.562 1.050 -2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -6.752 -0.385 -1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -7.928 -0.565 -2.849 1.00 0.00 H new ATOM 2145 N ARG A 139 -12.010 -2.450 -0.431 1.00 0.00 N ATOM 2146 CA ARG A 139 -13.437 -2.290 -0.634 1.00 0.00 C ATOM 2147 C ARG A 139 -14.155 -2.392 0.708 1.00 0.00 C ATOM 2148 O ARG A 139 -15.186 -1.767 0.915 1.00 0.00 O ATOM 2149 CB ARG A 139 -13.953 -3.341 -1.623 1.00 0.00 C ATOM 2150 CG ARG A 139 -15.200 -2.919 -2.400 1.00 0.00 C ATOM 2151 CD ARG A 139 -16.430 -2.813 -1.513 1.00 0.00 C ATOM 2152 NE ARG A 139 -16.655 -4.039 -0.757 1.00 0.00 N ATOM 2153 CZ ARG A 139 -17.831 -4.403 -0.264 1.00 0.00 C ATOM 2154 NH1 ARG A 139 -18.916 -3.682 -0.517 1.00 0.00 N ATOM 2155 NH2 ARG A 139 -17.920 -5.506 0.464 1.00 0.00 N ATOM 0 H ARG A 139 -11.610 -3.285 -0.859 1.00 0.00 H new ATOM 0 HA ARG A 139 -13.638 -1.307 -1.060 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -13.159 -3.575 -2.333 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -14.173 -4.259 -1.077 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -15.017 -1.957 -2.879 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -15.390 -3.640 -3.195 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -16.311 -1.977 -0.824 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -17.305 -2.598 -2.127 1.00 0.00 H new ATOM 0 HE ARG A 139 -15.858 -4.655 -0.597 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -18.848 -2.843 -1.093 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -19.818 -3.967 -0.135 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -17.088 -6.068 0.642 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -18.821 -5.793 0.847 1.00 0.00 H new ATOM 2169 N LYS A 140 -13.616 -3.170 1.634 1.00 0.00 N ATOM 2170 CA LYS A 140 -14.247 -3.293 2.929 1.00 0.00 C ATOM 2171 C LYS A 140 -14.064 -2.052 3.804 1.00 0.00 C ATOM 2172 O LYS A 140 -15.009 -1.550 4.379 1.00 0.00 O ATOM 2173 CB LYS A 140 -13.739 -4.519 3.675 1.00 0.00 C ATOM 2174 CG LYS A 140 -14.139 -5.827 3.031 1.00 0.00 C ATOM 2175 CD LYS A 140 -13.955 -6.989 3.969 1.00 0.00 C ATOM 2176 CE LYS A 140 -12.486 -7.341 4.143 1.00 0.00 C ATOM 2177 NZ LYS A 140 -12.301 -8.457 5.111 1.00 0.00 N ATOM 0 H LYS A 140 -12.761 -3.713 1.513 1.00 0.00 H new ATOM 0 HA LYS A 140 -15.313 -3.402 2.730 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -12.652 -4.472 3.737 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -14.118 -4.496 4.697 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -15.182 -5.774 2.717 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -13.543 -5.987 2.132 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -14.389 -6.746 4.939 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -14.494 -7.855 3.586 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -12.062 -7.621 3.179 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -11.940 -6.464 4.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -11.288 -8.670 5.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -12.684 -8.180 6.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -12.802 -9.301 4.768 1.00 0.00 H new ATOM 2191 N ALA A 141 -12.868 -1.536 3.871 1.00 0.00 N ATOM 2192 CA ALA A 141 -12.583 -0.396 4.715 1.00 0.00 C ATOM 2193 C ALA A 141 -13.282 0.835 4.174 1.00 0.00 C ATOM 2194 O ALA A 141 -13.670 1.728 4.926 1.00 0.00 O ATOM 2195 CB ALA A 141 -11.090 -0.175 4.814 1.00 0.00 C ATOM 0 H ALA A 141 -12.065 -1.886 3.349 1.00 0.00 H new ATOM 0 HA ALA A 141 -12.960 -0.592 5.719 1.00 0.00 H new ATOM 0 HB1 ALA A 141 -10.891 0.686 5.452 1.00 0.00 H new ATOM 0 HB2 ALA A 141 -10.619 -1.060 5.241 1.00 0.00 H new ATOM 0 HB3 ALA A 141 -10.683 0.009 3.820 1.00 0.00 H new ATOM 2201 N VAL A 142 -13.466 0.863 2.863 1.00 0.00 N ATOM 2202 CA VAL A 142 -14.167 1.947 2.235 1.00 0.00 C ATOM 2203 C VAL A 142 -15.660 1.680 2.288 1.00 0.00 C ATOM 2204 O VAL A 142 -16.467 2.605 2.230 1.00 0.00 O ATOM 2205 CB VAL A 142 -13.719 2.158 0.773 1.00 0.00 C ATOM 2206 CG1 VAL A 142 -12.227 2.424 0.710 1.00 0.00 C ATOM 2207 CG2 VAL A 142 -14.083 0.985 -0.122 1.00 0.00 C ATOM 0 H VAL A 142 -13.135 0.142 2.222 1.00 0.00 H new ATOM 0 HA VAL A 142 -13.931 2.860 2.781 1.00 0.00 H new ATOM 0 HB VAL A 142 -14.258 3.028 0.397 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -11.927 2.571 -0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -11.992 3.319 1.286 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -11.688 1.573 1.127 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -13.745 1.185 -1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -13.601 0.081 0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -15.164 0.847 -0.119 1.00 0.00 H new ATOM 2217 N GLU A 143 -16.026 0.407 2.446 1.00 0.00 N ATOM 2218 CA GLU A 143 -17.435 0.025 2.442 1.00 0.00 C ATOM 2219 C GLU A 143 -17.731 -1.166 3.364 1.00 0.00 C ATOM 2220 O GLU A 143 -18.487 -1.038 4.327 1.00 0.00 O ATOM 2221 CB GLU A 143 -17.881 -0.312 1.019 1.00 0.00 C ATOM 2222 CG GLU A 143 -18.010 0.899 0.106 1.00 0.00 C ATOM 2223 CD GLU A 143 -19.252 1.723 0.387 1.00 0.00 C ATOM 2224 OE1 GLU A 143 -20.314 1.410 -0.195 1.00 0.00 O ATOM 2225 OE2 GLU A 143 -19.179 2.688 1.176 1.00 0.00 O ATOM 0 H GLU A 143 -15.374 -0.367 2.577 1.00 0.00 H new ATOM 0 HA GLU A 143 -17.994 0.880 2.823 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -17.167 -1.009 0.581 1.00 0.00 H new ATOM 0 HB3 GLU A 143 -18.842 -0.825 1.063 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -17.128 1.530 0.221 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -18.029 0.565 -0.931 1.00 0.00 H new ATOM 2232 N GLU A 144 -17.101 -2.302 3.074 1.00 0.00 N ATOM 2233 CA GLU A 144 -17.418 -3.593 3.718 1.00 0.00 C ATOM 2234 C GLU A 144 -18.938 -3.831 3.785 1.00 0.00 C ATOM 2235 O GLU A 144 -19.480 -4.285 4.795 1.00 0.00 O ATOM 2236 CB GLU A 144 -16.769 -3.694 5.111 1.00 0.00 C ATOM 2237 CG GLU A 144 -16.816 -5.100 5.696 1.00 0.00 C ATOM 2238 CD GLU A 144 -16.025 -5.242 6.979 1.00 0.00 C ATOM 2239 OE1 GLU A 144 -14.781 -5.309 6.912 1.00 0.00 O ATOM 2240 OE2 GLU A 144 -16.640 -5.328 8.060 1.00 0.00 O ATOM 0 H GLU A 144 -16.352 -2.363 2.384 1.00 0.00 H new ATOM 0 HA GLU A 144 -16.994 -4.383 3.099 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -15.730 -3.370 5.045 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -17.275 -3.008 5.791 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -17.854 -5.373 5.885 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -16.431 -5.805 4.960 1.00 0.00 H new