USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 530 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 18 GLN : amide:sc= 0.0134 X(o=0.025,f=0.39) USER MOD Set 1.2: A 29 THR OG1 : rot 180:sc= 0.0117 USER MOD Single : A 14 HIS : no HD1:sc= -0.0435 K(o=-0.043,f=-1) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0463 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0961 K(o=-0.096,f=-0.6) USER MOD Single : A 27 MET CE :methyl -171:sc= -0.704 (180deg=-0.951) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 62:sc= 0.463 USER MOD Single : A 40 SER OG : rot 24:sc= 0.946 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -3.44! C(o=-3.4!,f=-2.9!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 62:sc= -0.498 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -150:sc= -0.595 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -1.24 K(o=-1.2,f=-2!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N LEU A 13 8.099 -0.972 4.440 1.00 0.00 N ATOM 143 CA LEU A 13 7.286 0.221 4.651 1.00 0.00 C ATOM 144 C LEU A 13 6.473 0.104 5.936 1.00 0.00 C ATOM 145 O LEU A 13 6.001 -0.977 6.288 1.00 0.00 O ATOM 146 CB LEU A 13 6.351 0.443 3.462 1.00 0.00 C ATOM 147 CG LEU A 13 7.051 0.709 2.128 1.00 0.00 C ATOM 148 CD1 LEU A 13 7.278 -0.593 1.375 1.00 0.00 C ATOM 149 CD2 LEU A 13 6.238 1.678 1.283 1.00 0.00 C ATOM 0 HA LEU A 13 7.956 1.076 4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.714 -0.434 3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.697 1.286 3.686 1.00 0.00 H new ATOM 0 HG LEU A 13 8.021 1.161 2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.777 -0.384 0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.901 -1.256 1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.319 -1.073 1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.751 1.856 0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.254 1.253 1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.126 2.621 1.818 1.00 0.00 H new ATOM 161 N HIS A 14 6.311 1.224 6.632 1.00 0.00 N ATOM 162 CA HIS A 14 5.553 1.248 7.878 1.00 0.00 C ATOM 163 C HIS A 14 4.241 2.006 7.701 1.00 0.00 C ATOM 164 O HIS A 14 4.165 2.966 6.934 1.00 0.00 O ATOM 165 CB HIS A 14 6.381 1.891 8.990 1.00 0.00 C ATOM 166 CG HIS A 14 6.091 1.333 10.350 1.00 0.00 C ATOM 167 ND1 HIS A 14 4.860 1.403 10.963 1.00 0.00 N ATOM 168 CD2 HIS A 14 6.905 0.681 11.219 1.00 0.00 C ATOM 169 CE1 HIS A 14 4.961 0.806 12.158 1.00 0.00 C ATOM 170 NE2 HIS A 14 6.183 0.350 12.362 1.00 0.00 N ATOM 0 H HIS A 14 6.695 2.128 6.355 1.00 0.00 H new ATOM 0 HA HIS A 14 5.323 0.219 8.155 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.440 1.755 8.769 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.192 2.964 8.999 1.00 0.00 H new ATOM 0 HD2 HIS A 14 7.948 0.455 11.050 1.00 0.00 H new ATOM 0 HE1 HIS A 14 4.148 0.710 12.863 1.00 0.00 H new ATOM 0 HE2 HIS A 14 6.527 -0.143 13.186 1.00 0.00 H new ATOM 178 N GLU A 15 3.209 1.569 8.416 1.00 0.00 N ATOM 179 CA GLU A 15 1.901 2.206 8.337 1.00 0.00 C ATOM 180 C GLU A 15 1.977 3.664 8.777 1.00 0.00 C ATOM 181 O GLU A 15 2.663 3.996 9.743 1.00 0.00 O ATOM 182 CB GLU A 15 0.890 1.451 9.205 1.00 0.00 C ATOM 183 CG GLU A 15 0.689 0.005 8.785 1.00 0.00 C ATOM 184 CD GLU A 15 -0.252 -0.745 9.707 1.00 0.00 C ATOM 185 OE1 GLU A 15 0.149 -1.036 10.854 1.00 0.00 O ATOM 186 OE2 GLU A 15 -1.389 -1.038 9.284 1.00 0.00 O ATOM 0 H GLU A 15 3.254 0.776 9.056 1.00 0.00 H new ATOM 0 HA GLU A 15 1.573 2.176 7.298 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.224 1.476 10.242 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.068 1.969 9.166 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.295 -0.023 7.769 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.654 -0.502 8.767 1.00 0.00 H new ATOM 193 N GLY A 16 1.268 4.531 8.062 1.00 0.00 N ATOM 194 CA GLY A 16 1.270 5.943 8.393 1.00 0.00 C ATOM 195 C GLY A 16 2.399 6.696 7.718 1.00 0.00 C ATOM 196 O GLY A 16 2.884 7.701 8.239 1.00 0.00 O ATOM 0 H GLY A 16 0.692 4.280 7.259 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.317 6.383 8.099 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.355 6.059 9.473 1.00 0.00 H new ATOM 200 N SER A 17 2.819 6.210 6.555 1.00 0.00 N ATOM 201 CA SER A 17 3.899 6.842 5.807 1.00 0.00 C ATOM 202 C SER A 17 3.390 7.396 4.480 1.00 0.00 C ATOM 203 O SER A 17 2.210 7.268 4.154 1.00 0.00 O ATOM 204 CB SER A 17 5.028 5.839 5.555 1.00 0.00 C ATOM 205 OG SER A 17 6.023 5.930 6.558 1.00 0.00 O ATOM 0 H SER A 17 2.428 5.380 6.110 1.00 0.00 H new ATOM 0 HA SER A 17 4.284 7.670 6.402 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.622 4.828 5.532 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.474 6.026 4.578 1.00 0.00 H new ATOM 0 HG SER A 17 6.732 5.278 6.376 1.00 0.00 H new ATOM 211 N GLN A 18 4.289 8.013 3.718 1.00 0.00 N ATOM 212 CA GLN A 18 3.930 8.587 2.426 1.00 0.00 C ATOM 213 C GLN A 18 4.725 7.933 1.301 1.00 0.00 C ATOM 214 O GLN A 18 5.955 7.952 1.304 1.00 0.00 O ATOM 215 CB GLN A 18 4.177 10.097 2.430 1.00 0.00 C ATOM 216 CG GLN A 18 3.348 10.847 3.459 1.00 0.00 C ATOM 217 CD GLN A 18 1.950 11.162 2.965 1.00 0.00 C ATOM 218 OE1 GLN A 18 1.775 11.771 1.909 1.00 0.00 O ATOM 219 NE2 GLN A 18 0.946 10.747 3.727 1.00 0.00 N ATOM 0 H GLN A 18 5.270 8.128 3.973 1.00 0.00 H new ATOM 0 HA GLN A 18 2.870 8.399 2.254 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.234 10.283 2.622 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.958 10.495 1.439 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.282 10.252 4.370 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.855 11.776 3.721 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.137 10.246 4.594 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.017 10.929 3.445 1.00 0.00 H new ATOM 228 N VAL A 19 4.012 7.354 0.339 1.00 0.00 N ATOM 229 CA VAL A 19 4.651 6.693 -0.793 1.00 0.00 C ATOM 230 C VAL A 19 4.252 7.352 -2.110 1.00 0.00 C ATOM 231 O VAL A 19 3.187 7.962 -2.213 1.00 0.00 O ATOM 232 CB VAL A 19 4.286 5.198 -0.850 1.00 0.00 C ATOM 233 CG1 VAL A 19 4.975 4.437 0.274 1.00 0.00 C ATOM 234 CG2 VAL A 19 2.778 5.014 -0.783 1.00 0.00 C ATOM 0 H VAL A 19 2.992 7.330 0.321 1.00 0.00 H new ATOM 0 HA VAL A 19 5.727 6.791 -0.651 1.00 0.00 H new ATOM 0 HB VAL A 19 4.636 4.793 -1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.705 3.382 0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.055 4.541 0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.658 4.842 1.235 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.539 3.951 -0.825 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.401 5.435 0.149 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.311 5.524 -1.626 1.00 0.00 H new ATOM 244 N LEU A 20 5.114 7.224 -3.113 1.00 0.00 N ATOM 245 CA LEU A 20 4.853 7.807 -4.424 1.00 0.00 C ATOM 246 C LEU A 20 4.756 6.722 -5.491 1.00 0.00 C ATOM 247 O LEU A 20 5.624 5.854 -5.589 1.00 0.00 O ATOM 248 CB LEU A 20 5.953 8.803 -4.792 1.00 0.00 C ATOM 249 CG LEU A 20 5.769 9.502 -6.139 1.00 0.00 C ATOM 250 CD1 LEU A 20 4.785 10.654 -6.013 1.00 0.00 C ATOM 251 CD2 LEU A 20 7.107 9.997 -6.669 1.00 0.00 C ATOM 0 H LEU A 20 5.999 6.722 -3.043 1.00 0.00 H new ATOM 0 HA LEU A 20 3.899 8.332 -4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.011 9.561 -4.011 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.909 8.279 -4.799 1.00 0.00 H new ATOM 0 HG LEU A 20 5.363 8.781 -6.849 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.667 11.139 -6.982 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.820 10.273 -5.678 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.161 11.376 -5.289 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.958 10.492 -7.629 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.541 10.703 -5.960 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.782 9.151 -6.798 1.00 0.00 H new ATOM 263 N LEU A 21 3.695 6.777 -6.289 1.00 0.00 N ATOM 264 CA LEU A 21 3.484 5.798 -7.350 1.00 0.00 C ATOM 265 C LEU A 21 4.455 6.028 -8.503 1.00 0.00 C ATOM 266 O LEU A 21 4.795 7.167 -8.824 1.00 0.00 O ATOM 267 CB LEU A 21 2.043 5.869 -7.860 1.00 0.00 C ATOM 268 CG LEU A 21 0.969 5.612 -6.801 1.00 0.00 C ATOM 269 CD1 LEU A 21 -0.416 5.879 -7.371 1.00 0.00 C ATOM 270 CD2 LEU A 21 1.066 4.186 -6.280 1.00 0.00 C ATOM 0 H LEU A 21 2.968 7.489 -6.221 1.00 0.00 H new ATOM 0 HA LEU A 21 3.667 4.806 -6.936 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.875 6.855 -8.294 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.921 5.142 -8.663 1.00 0.00 H new ATOM 0 HG LEU A 21 1.135 6.295 -5.968 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.167 5.691 -6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.481 6.917 -7.697 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.593 5.220 -8.221 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.295 4.020 -5.528 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.925 3.487 -7.104 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.048 4.028 -5.834 1.00 0.00 H new ATOM 282 N THR A 22 4.897 4.939 -9.123 1.00 0.00 N ATOM 283 CA THR A 22 5.828 5.022 -10.242 1.00 0.00 C ATOM 284 C THR A 22 5.091 4.889 -11.572 1.00 0.00 C ATOM 285 O THR A 22 5.635 4.369 -12.546 1.00 0.00 O ATOM 286 CB THR A 22 6.897 3.933 -10.125 1.00 0.00 C ATOM 287 OG1 THR A 22 6.390 2.805 -9.435 1.00 0.00 O ATOM 288 CG2 THR A 22 8.144 4.395 -9.401 1.00 0.00 C ATOM 0 H THR A 22 4.626 3.989 -8.870 1.00 0.00 H new ATOM 0 HA THR A 22 6.311 5.999 -10.211 1.00 0.00 H new ATOM 0 HB THR A 22 7.166 3.679 -11.150 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.087 2.119 -9.372 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.861 3.576 -9.353 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.587 5.234 -9.938 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.883 4.709 -8.390 1.00 0.00 H new ATOM 296 N SER A 23 3.850 5.364 -11.603 1.00 0.00 N ATOM 297 CA SER A 23 3.037 5.301 -12.812 1.00 0.00 C ATOM 298 C SER A 23 2.035 6.449 -12.853 1.00 0.00 C ATOM 299 O SER A 23 1.894 7.128 -13.870 1.00 0.00 O ATOM 300 CB SER A 23 2.300 3.963 -12.884 1.00 0.00 C ATOM 301 OG SER A 23 3.209 2.883 -13.009 1.00 0.00 O ATOM 0 H SER A 23 3.386 5.797 -10.805 1.00 0.00 H new ATOM 0 HA SER A 23 3.700 5.391 -13.673 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.694 3.830 -11.988 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.617 3.967 -13.733 1.00 0.00 H new ATOM 0 HG SER A 23 2.711 2.040 -13.051 1.00 0.00 H new ATOM 307 N SER A 24 1.341 6.662 -11.739 1.00 0.00 N ATOM 308 CA SER A 24 0.352 7.729 -11.646 1.00 0.00 C ATOM 309 C SER A 24 0.999 9.044 -11.215 1.00 0.00 C ATOM 310 O SER A 24 0.442 10.119 -11.433 1.00 0.00 O ATOM 311 CB SER A 24 -0.750 7.344 -10.657 1.00 0.00 C ATOM 312 OG SER A 24 -1.826 6.700 -11.317 1.00 0.00 O ATOM 0 H SER A 24 1.446 6.109 -10.888 1.00 0.00 H new ATOM 0 HA SER A 24 -0.084 7.869 -12.635 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.342 6.684 -9.892 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.114 8.236 -10.148 1.00 0.00 H new ATOM 0 HG SER A 24 -2.516 6.463 -10.663 1.00 0.00 H new ATOM 318 N ASN A 25 2.177 8.951 -10.604 1.00 0.00 N ATOM 319 CA ASN A 25 2.896 10.136 -10.145 1.00 0.00 C ATOM 320 C ASN A 25 2.097 10.875 -9.076 1.00 0.00 C ATOM 321 O ASN A 25 1.970 12.100 -9.115 1.00 0.00 O ATOM 322 CB ASN A 25 3.191 11.069 -11.322 1.00 0.00 C ATOM 323 CG ASN A 25 4.514 10.753 -11.992 1.00 0.00 C ATOM 324 OD1 ASN A 25 5.523 10.525 -11.324 1.00 0.00 O ATOM 325 ND2 ASN A 25 4.516 10.739 -13.320 1.00 0.00 N ATOM 0 H ASN A 25 2.653 8.069 -10.415 1.00 0.00 H new ATOM 0 HA ASN A 25 3.840 9.812 -9.706 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.388 10.990 -12.055 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.202 12.101 -10.971 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.377 10.533 -13.827 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.656 10.934 -13.833 1.00 0.00 H new ATOM 332 N GLU A 26 1.559 10.123 -8.121 1.00 0.00 N ATOM 333 CA GLU A 26 0.772 10.706 -7.040 1.00 0.00 C ATOM 334 C GLU A 26 1.121 10.057 -5.705 1.00 0.00 C ATOM 335 O GLU A 26 1.279 8.839 -5.617 1.00 0.00 O ATOM 336 CB GLU A 26 -0.723 10.546 -7.327 1.00 0.00 C ATOM 337 CG GLU A 26 -1.367 11.794 -7.906 1.00 0.00 C ATOM 338 CD GLU A 26 -1.934 12.708 -6.837 1.00 0.00 C ATOM 339 OE1 GLU A 26 -1.277 12.871 -5.786 1.00 0.00 O ATOM 340 OE2 GLU A 26 -3.034 13.259 -7.049 1.00 0.00 O ATOM 0 H GLU A 26 1.654 9.109 -8.074 1.00 0.00 H new ATOM 0 HA GLU A 26 1.010 11.768 -6.979 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.865 9.718 -8.022 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.235 10.278 -6.403 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.628 12.341 -8.492 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.164 11.503 -8.590 1.00 0.00 H new ATOM 347 N MET A 27 1.238 10.878 -4.667 1.00 0.00 N ATOM 348 CA MET A 27 1.568 10.383 -3.335 1.00 0.00 C ATOM 349 C MET A 27 0.352 9.741 -2.677 1.00 0.00 C ATOM 350 O MET A 27 -0.757 10.271 -2.747 1.00 0.00 O ATOM 351 CB MET A 27 2.094 11.524 -2.461 1.00 0.00 C ATOM 352 CG MET A 27 3.151 12.376 -3.144 1.00 0.00 C ATOM 353 SD MET A 27 4.455 12.902 -2.018 1.00 0.00 S ATOM 354 CE MET A 27 5.734 11.706 -2.396 1.00 0.00 C ATOM 0 H MET A 27 1.109 11.888 -4.722 1.00 0.00 H new ATOM 0 HA MET A 27 2.345 9.625 -3.437 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.259 12.161 -2.168 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.512 11.106 -1.545 1.00 0.00 H new ATOM 0 HG2 MET A 27 3.592 11.811 -3.965 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.677 13.255 -3.580 1.00 0.00 H new ATOM 0 HE1 MET A 27 6.544 11.798 -1.672 1.00 0.00 H new ATOM 0 HE2 MET A 27 5.317 10.700 -2.348 1.00 0.00 H new ATOM 0 HE3 MET A 27 6.121 11.891 -3.398 1.00 0.00 H new ATOM 364 N ALA A 28 0.567 8.596 -2.037 1.00 0.00 N ATOM 365 CA ALA A 28 -0.512 7.881 -1.367 1.00 0.00 C ATOM 366 C ALA A 28 -0.127 7.525 0.065 1.00 0.00 C ATOM 367 O ALA A 28 1.035 7.237 0.353 1.00 0.00 O ATOM 368 CB ALA A 28 -0.874 6.624 -2.144 1.00 0.00 C ATOM 0 H ALA A 28 1.479 8.144 -1.969 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.382 8.537 -1.331 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.681 6.100 -1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.198 6.898 -3.148 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.002 5.973 -2.209 1.00 0.00 H new ATOM 374 N THR A 29 -1.110 7.549 0.960 1.00 0.00 N ATOM 375 CA THR A 29 -0.873 7.229 2.363 1.00 0.00 C ATOM 376 C THR A 29 -1.032 5.737 2.616 1.00 0.00 C ATOM 377 O THR A 29 -2.012 5.124 2.191 1.00 0.00 O ATOM 378 CB THR A 29 -1.832 8.016 3.258 1.00 0.00 C ATOM 379 OG1 THR A 29 -1.734 9.405 2.999 1.00 0.00 O ATOM 380 CG2 THR A 29 -1.581 7.805 4.735 1.00 0.00 C ATOM 0 H THR A 29 -2.077 7.786 0.739 1.00 0.00 H new ATOM 0 HA THR A 29 0.152 7.512 2.604 1.00 0.00 H new ATOM 0 HB THR A 29 -2.826 7.639 3.018 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.356 9.891 3.580 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.295 8.391 5.313 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.699 6.749 4.977 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.568 8.123 4.981 1.00 0.00 H new ATOM 388 N VAL A 30 -0.062 5.158 3.312 1.00 0.00 N ATOM 389 CA VAL A 30 -0.092 3.737 3.621 1.00 0.00 C ATOM 390 C VAL A 30 -0.970 3.458 4.836 1.00 0.00 C ATOM 391 O VAL A 30 -0.818 4.090 5.882 1.00 0.00 O ATOM 392 CB VAL A 30 1.323 3.187 3.886 1.00 0.00 C ATOM 393 CG1 VAL A 30 1.292 1.672 4.011 1.00 0.00 C ATOM 394 CG2 VAL A 30 2.278 3.620 2.785 1.00 0.00 C ATOM 0 H VAL A 30 0.755 5.652 3.673 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.510 3.233 2.749 1.00 0.00 H new ATOM 0 HB VAL A 30 1.683 3.598 4.829 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.300 1.302 4.198 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.642 1.388 4.839 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.912 1.238 3.086 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.272 3.223 2.989 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.925 3.240 1.827 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.323 4.709 2.749 1.00 0.00 H new ATOM 404 N ARG A 31 -1.890 2.509 4.690 1.00 0.00 N ATOM 405 CA ARG A 31 -2.794 2.149 5.777 1.00 0.00 C ATOM 406 C ARG A 31 -2.570 0.705 6.215 1.00 0.00 C ATOM 407 O ARG A 31 -2.615 0.395 7.405 1.00 0.00 O ATOM 408 CB ARG A 31 -4.248 2.343 5.343 1.00 0.00 C ATOM 409 CG ARG A 31 -4.531 3.720 4.766 1.00 0.00 C ATOM 410 CD ARG A 31 -4.877 4.721 5.857 1.00 0.00 C ATOM 411 NE ARG A 31 -6.117 4.374 6.545 1.00 0.00 N ATOM 412 CZ ARG A 31 -6.823 5.231 7.280 1.00 0.00 C ATOM 413 NH1 ARG A 31 -6.414 6.485 7.423 1.00 0.00 N ATOM 414 NH2 ARG A 31 -7.940 4.833 7.872 1.00 0.00 N ATOM 0 H ARG A 31 -2.029 1.976 3.831 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.584 2.803 6.623 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.500 1.587 4.599 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.900 2.176 6.201 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.659 4.070 4.213 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.355 3.656 4.055 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.062 4.766 6.579 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.971 5.715 5.420 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.463 3.418 6.457 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.555 6.796 6.969 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.958 7.138 7.987 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.259 3.870 7.765 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.481 5.490 8.435 1.00 0.00 H new ATOM 428 N TYR A 32 -2.329 -0.172 5.247 1.00 0.00 N ATOM 429 CA TYR A 32 -2.098 -1.583 5.534 1.00 0.00 C ATOM 430 C TYR A 32 -0.844 -2.084 4.827 1.00 0.00 C ATOM 431 O TYR A 32 -0.481 -1.590 3.760 1.00 0.00 O ATOM 432 CB TYR A 32 -3.308 -2.417 5.105 1.00 0.00 C ATOM 433 CG TYR A 32 -3.668 -3.509 6.087 1.00 0.00 C ATOM 434 CD1 TYR A 32 -4.317 -3.213 7.279 1.00 0.00 C ATOM 435 CD2 TYR A 32 -3.358 -4.837 5.821 1.00 0.00 C ATOM 436 CE1 TYR A 32 -4.647 -4.209 8.178 1.00 0.00 C ATOM 437 CE2 TYR A 32 -3.685 -5.839 6.715 1.00 0.00 C ATOM 438 CZ TYR A 32 -4.329 -5.519 7.891 1.00 0.00 C ATOM 439 OH TYR A 32 -4.657 -6.514 8.784 1.00 0.00 O ATOM 0 H TYR A 32 -2.288 0.069 4.257 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.954 -1.691 6.609 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.166 -1.758 4.977 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.103 -2.866 4.133 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.568 -2.188 7.507 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.853 -5.090 4.900 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -5.151 -3.962 9.101 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.437 -6.867 6.494 1.00 0.00 H new ATOM 0 HH TYR A 32 -4.364 -7.380 8.431 1.00 0.00 H new ATOM 449 N VAL A 33 -0.184 -3.069 5.429 1.00 0.00 N ATOM 450 CA VAL A 33 1.030 -3.637 4.858 1.00 0.00 C ATOM 451 C VAL A 33 1.183 -5.104 5.245 1.00 0.00 C ATOM 452 O VAL A 33 1.535 -5.424 6.379 1.00 0.00 O ATOM 453 CB VAL A 33 2.281 -2.864 5.314 1.00 0.00 C ATOM 454 CG1 VAL A 33 3.513 -3.352 4.567 1.00 0.00 C ATOM 455 CG2 VAL A 33 2.085 -1.368 5.117 1.00 0.00 C ATOM 0 H VAL A 33 -0.471 -3.490 6.313 1.00 0.00 H new ATOM 0 HA VAL A 33 0.938 -3.556 3.775 1.00 0.00 H new ATOM 0 HB VAL A 33 2.433 -3.050 6.377 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.387 -2.794 4.903 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.662 -4.413 4.765 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.374 -3.199 3.497 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.979 -0.838 5.445 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.906 -1.160 4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.229 -1.033 5.703 1.00 0.00 H new ATOM 465 N GLY A 34 0.916 -5.992 4.293 1.00 0.00 N ATOM 466 CA GLY A 34 1.030 -7.415 4.552 1.00 0.00 C ATOM 467 C GLY A 34 0.332 -8.257 3.499 1.00 0.00 C ATOM 468 O GLY A 34 -0.234 -7.717 2.548 1.00 0.00 O ATOM 0 H GLY A 34 0.623 -5.751 3.346 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.084 -7.690 4.592 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.605 -7.638 5.531 1.00 0.00 H new ATOM 472 N PRO A 35 0.355 -9.592 3.642 1.00 0.00 N ATOM 473 CA PRO A 35 -0.288 -10.501 2.687 1.00 0.00 C ATOM 474 C PRO A 35 -1.745 -10.135 2.429 1.00 0.00 C ATOM 475 O PRO A 35 -2.391 -9.496 3.259 1.00 0.00 O ATOM 476 CB PRO A 35 -0.193 -11.865 3.372 1.00 0.00 C ATOM 477 CG PRO A 35 0.980 -11.751 4.283 1.00 0.00 C ATOM 478 CD PRO A 35 1.007 -10.321 4.747 1.00 0.00 C ATOM 0 HA PRO A 35 0.191 -10.467 1.709 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.103 -12.094 3.926 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.053 -12.664 2.644 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.886 -12.434 5.128 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.903 -12.011 3.765 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.469 -10.193 5.686 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.026 -9.971 4.913 1.00 0.00 H new ATOM 486 N THR A 36 -2.256 -10.543 1.272 1.00 0.00 N ATOM 487 CA THR A 36 -3.639 -10.258 0.904 1.00 0.00 C ATOM 488 C THR A 36 -4.406 -11.548 0.631 1.00 0.00 C ATOM 489 O THR A 36 -3.859 -12.644 0.754 1.00 0.00 O ATOM 490 CB THR A 36 -3.684 -9.354 -0.330 1.00 0.00 C ATOM 491 OG1 THR A 36 -3.115 -10.007 -1.450 1.00 0.00 O ATOM 492 CG2 THR A 36 -2.950 -8.045 -0.138 1.00 0.00 C ATOM 0 H THR A 36 -1.734 -11.072 0.573 1.00 0.00 H new ATOM 0 HA THR A 36 -4.113 -9.744 1.740 1.00 0.00 H new ATOM 0 HB THR A 36 -4.740 -9.139 -0.494 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.633 -10.813 -1.657 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.020 -7.451 -1.049 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.398 -7.494 0.689 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.902 -8.245 0.085 1.00 0.00 H new ATOM 500 N ASP A 37 -5.674 -11.409 0.260 1.00 0.00 N ATOM 501 CA ASP A 37 -6.517 -12.563 -0.031 1.00 0.00 C ATOM 502 C ASP A 37 -6.831 -12.645 -1.522 1.00 0.00 C ATOM 503 O ASP A 37 -6.751 -13.715 -2.126 1.00 0.00 O ATOM 504 CB ASP A 37 -7.815 -12.489 0.777 1.00 0.00 C ATOM 505 CG ASP A 37 -8.046 -13.730 1.615 1.00 0.00 C ATOM 506 OD1 ASP A 37 -7.136 -14.105 2.384 1.00 0.00 O ATOM 507 OD2 ASP A 37 -9.137 -14.329 1.503 1.00 0.00 O ATOM 0 H ASP A 37 -6.141 -10.508 0.154 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.972 -13.463 0.255 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.785 -11.615 1.428 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.656 -12.352 0.097 1.00 0.00 H new ATOM 512 N PHE A 38 -7.190 -11.509 -2.109 1.00 0.00 N ATOM 513 CA PHE A 38 -7.517 -11.452 -3.530 1.00 0.00 C ATOM 514 C PHE A 38 -6.301 -11.797 -4.381 1.00 0.00 C ATOM 515 O PHE A 38 -6.417 -12.471 -5.405 1.00 0.00 O ATOM 516 CB PHE A 38 -8.037 -10.062 -3.900 1.00 0.00 C ATOM 517 CG PHE A 38 -7.028 -8.969 -3.694 1.00 0.00 C ATOM 518 CD1 PHE A 38 -6.875 -8.376 -2.451 1.00 0.00 C ATOM 519 CD2 PHE A 38 -6.233 -8.536 -4.743 1.00 0.00 C ATOM 520 CE1 PHE A 38 -5.948 -7.370 -2.258 1.00 0.00 C ATOM 521 CE2 PHE A 38 -5.304 -7.530 -4.556 1.00 0.00 C ATOM 522 CZ PHE A 38 -5.161 -6.946 -3.311 1.00 0.00 C ATOM 0 H PHE A 38 -7.262 -10.615 -1.624 1.00 0.00 H new ATOM 0 HA PHE A 38 -8.297 -12.187 -3.728 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.348 -10.066 -4.945 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -8.923 -9.844 -3.304 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -7.487 -8.704 -1.624 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.340 -8.990 -5.717 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.839 -6.915 -1.284 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.690 -7.200 -5.381 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.435 -6.160 -3.162 1.00 0.00 H new ATOM 532 N ALA A 39 -5.132 -11.328 -3.953 1.00 0.00 N ATOM 533 CA ALA A 39 -3.893 -11.586 -4.676 1.00 0.00 C ATOM 534 C ALA A 39 -2.881 -12.305 -3.791 1.00 0.00 C ATOM 535 O ALA A 39 -3.083 -12.442 -2.585 1.00 0.00 O ATOM 536 CB ALA A 39 -3.308 -10.283 -5.201 1.00 0.00 C ATOM 0 H ALA A 39 -5.018 -10.767 -3.109 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.122 -12.235 -5.521 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.383 -10.490 -5.739 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.022 -9.809 -5.875 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.100 -9.615 -4.365 1.00 0.00 H new ATOM 542 N SER A 40 -1.790 -12.760 -4.399 1.00 0.00 N ATOM 543 CA SER A 40 -0.744 -13.465 -3.665 1.00 0.00 C ATOM 544 C SER A 40 0.538 -12.641 -3.619 1.00 0.00 C ATOM 545 O SER A 40 1.195 -12.440 -4.642 1.00 0.00 O ATOM 546 CB SER A 40 -0.469 -14.824 -4.311 1.00 0.00 C ATOM 547 OG SER A 40 0.090 -14.671 -5.605 1.00 0.00 O ATOM 0 H SER A 40 -1.607 -12.654 -5.397 1.00 0.00 H new ATOM 0 HA SER A 40 -1.091 -13.619 -2.643 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.213 -15.397 -3.683 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.396 -15.393 -4.377 1.00 0.00 H new ATOM 0 HG SER A 40 0.535 -13.800 -5.668 1.00 0.00 H new ATOM 553 N GLY A 41 0.888 -12.166 -2.429 1.00 0.00 N ATOM 554 CA GLY A 41 2.091 -11.370 -2.273 1.00 0.00 C ATOM 555 C GLY A 41 1.956 -10.323 -1.184 1.00 0.00 C ATOM 556 O GLY A 41 1.062 -10.406 -0.342 1.00 0.00 O ATOM 0 H GLY A 41 0.360 -12.318 -1.570 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.930 -12.026 -2.040 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.323 -10.879 -3.218 1.00 0.00 H new ATOM 560 N ILE A 42 2.845 -9.336 -1.202 1.00 0.00 N ATOM 561 CA ILE A 42 2.820 -8.269 -0.208 1.00 0.00 C ATOM 562 C ILE A 42 2.341 -6.957 -0.821 1.00 0.00 C ATOM 563 O ILE A 42 3.066 -6.313 -1.578 1.00 0.00 O ATOM 564 CB ILE A 42 4.212 -8.050 0.416 1.00 0.00 C ATOM 565 CG1 ILE A 42 4.812 -9.385 0.863 1.00 0.00 C ATOM 566 CG2 ILE A 42 4.121 -7.086 1.589 1.00 0.00 C ATOM 567 CD1 ILE A 42 5.614 -10.078 -0.217 1.00 0.00 C ATOM 0 H ILE A 42 3.591 -9.252 -1.893 1.00 0.00 H new ATOM 0 HA ILE A 42 2.124 -8.580 0.571 1.00 0.00 H new ATOM 0 HB ILE A 42 4.866 -7.614 -0.339 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.453 -9.215 1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.008 -10.045 1.188 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.112 -6.942 2.019 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.732 -6.128 1.243 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.453 -7.497 2.346 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.009 -11.017 0.170 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.972 -10.280 -1.074 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.440 -9.437 -0.525 1.00 0.00 H new ATOM 579 N TRP A 43 1.113 -6.570 -0.488 1.00 0.00 N ATOM 580 CA TRP A 43 0.536 -5.334 -1.005 1.00 0.00 C ATOM 581 C TRP A 43 0.393 -4.296 0.102 1.00 0.00 C ATOM 582 O TRP A 43 0.629 -4.587 1.275 1.00 0.00 O ATOM 583 CB TRP A 43 -0.828 -5.611 -1.640 1.00 0.00 C ATOM 584 CG TRP A 43 -0.767 -6.579 -2.782 1.00 0.00 C ATOM 585 CD1 TRP A 43 -0.559 -7.926 -2.703 1.00 0.00 C ATOM 586 CD2 TRP A 43 -0.914 -6.275 -4.173 1.00 0.00 C ATOM 587 NE1 TRP A 43 -0.569 -8.479 -3.962 1.00 0.00 N ATOM 588 CE2 TRP A 43 -0.784 -7.485 -4.881 1.00 0.00 C ATOM 589 CE3 TRP A 43 -1.144 -5.097 -4.890 1.00 0.00 C ATOM 590 CZ2 TRP A 43 -0.877 -7.550 -6.269 1.00 0.00 C ATOM 591 CZ3 TRP A 43 -1.235 -5.163 -6.268 1.00 0.00 C ATOM 592 CH2 TRP A 43 -1.103 -6.382 -6.944 1.00 0.00 C ATOM 0 H TRP A 43 0.500 -7.094 0.136 1.00 0.00 H new ATOM 0 HA TRP A 43 1.209 -4.937 -1.765 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.503 -6.001 -0.878 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.254 -4.672 -1.992 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.409 -8.477 -1.786 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.438 -9.467 -4.177 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.249 -4.153 -4.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.774 -8.489 -6.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.411 -4.259 -6.832 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.181 -6.400 -8.021 1.00 0.00 H new ATOM 603 N LEU A 44 0.004 -3.082 -0.276 1.00 0.00 N ATOM 604 CA LEU A 44 -0.171 -2.001 0.687 1.00 0.00 C ATOM 605 C LEU A 44 -1.501 -1.287 0.468 1.00 0.00 C ATOM 606 O LEU A 44 -1.763 -0.758 -0.612 1.00 0.00 O ATOM 607 CB LEU A 44 0.981 -1.001 0.577 1.00 0.00 C ATOM 608 CG LEU A 44 2.365 -1.625 0.395 1.00 0.00 C ATOM 609 CD1 LEU A 44 3.422 -0.542 0.236 1.00 0.00 C ATOM 610 CD2 LEU A 44 2.701 -2.531 1.571 1.00 0.00 C ATOM 0 H LEU A 44 -0.196 -2.823 -1.242 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.172 -2.435 1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.786 -0.336 -0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.993 -0.384 1.475 1.00 0.00 H new ATOM 0 HG LEU A 44 2.353 -2.229 -0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.401 -1.005 0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.191 0.067 -0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.433 0.089 1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.689 -2.966 1.424 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.694 -1.949 2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.960 -3.328 1.640 1.00 0.00 H new ATOM 622 N GLY A 45 -2.338 -1.275 1.502 1.00 0.00 N ATOM 623 CA GLY A 45 -3.630 -0.622 1.402 1.00 0.00 C ATOM 624 C GLY A 45 -3.516 0.890 1.420 1.00 0.00 C ATOM 625 O GLY A 45 -3.756 1.525 2.448 1.00 0.00 O ATOM 0 H GLY A 45 -2.144 -1.706 2.406 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.122 -0.936 0.482 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.263 -0.946 2.228 1.00 0.00 H new ATOM 629 N LEU A 46 -3.148 1.467 0.281 1.00 0.00 N ATOM 630 CA LEU A 46 -3.001 2.914 0.170 1.00 0.00 C ATOM 631 C LEU A 46 -4.363 3.602 0.150 1.00 0.00 C ATOM 632 O LEU A 46 -5.400 2.945 0.060 1.00 0.00 O ATOM 633 CB LEU A 46 -2.218 3.271 -1.095 1.00 0.00 C ATOM 634 CG LEU A 46 -0.861 2.578 -1.233 1.00 0.00 C ATOM 635 CD1 LEU A 46 -0.288 2.801 -2.623 1.00 0.00 C ATOM 636 CD2 LEU A 46 0.103 3.081 -0.169 1.00 0.00 C ATOM 0 H LEU A 46 -2.946 0.955 -0.578 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.451 3.266 1.043 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.827 3.021 -1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.062 4.350 -1.115 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.003 1.507 -1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.677 2.301 -2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.971 2.393 -3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.159 3.869 -2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.063 2.578 -0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.241 4.156 -0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.304 2.870 0.820 1.00 0.00 H new ATOM 648 N GLU A 47 -4.351 4.928 0.233 1.00 0.00 N ATOM 649 CA GLU A 47 -5.584 5.707 0.224 1.00 0.00 C ATOM 650 C GLU A 47 -5.344 7.097 -0.355 1.00 0.00 C ATOM 651 O GLU A 47 -4.389 7.778 0.016 1.00 0.00 O ATOM 652 CB GLU A 47 -6.150 5.822 1.641 1.00 0.00 C ATOM 653 CG GLU A 47 -7.663 5.978 1.680 1.00 0.00 C ATOM 654 CD GLU A 47 -8.098 7.307 2.269 1.00 0.00 C ATOM 655 OE1 GLU A 47 -7.643 8.355 1.769 1.00 0.00 O ATOM 656 OE2 GLU A 47 -8.896 7.296 3.231 1.00 0.00 O ATOM 0 H GLU A 47 -3.501 5.486 0.307 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.307 5.190 -0.407 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.870 4.935 2.209 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.692 6.677 2.138 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.060 5.885 0.669 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.093 5.167 2.267 1.00 0.00 H new ATOM 663 N LEU A 48 -6.218 7.512 -1.265 1.00 0.00 N ATOM 664 CA LEU A 48 -6.101 8.821 -1.896 1.00 0.00 C ATOM 665 C LEU A 48 -7.138 9.790 -1.335 1.00 0.00 C ATOM 666 O LEU A 48 -8.021 9.397 -0.572 1.00 0.00 O ATOM 667 CB LEU A 48 -6.268 8.698 -3.412 1.00 0.00 C ATOM 668 CG LEU A 48 -5.409 7.619 -4.071 1.00 0.00 C ATOM 669 CD1 LEU A 48 -5.943 7.284 -5.455 1.00 0.00 C ATOM 670 CD2 LEU A 48 -3.958 8.068 -4.152 1.00 0.00 C ATOM 0 H LEU A 48 -7.015 6.961 -1.582 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.108 9.214 -1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.316 8.492 -3.631 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.030 9.659 -3.868 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.456 6.719 -3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.319 6.514 -5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.967 6.919 -5.371 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.926 8.178 -6.078 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.361 7.287 -4.624 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.892 8.982 -4.743 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.579 8.257 -3.148 1.00 0.00 H new ATOM 682 N ARG A 49 -7.025 11.057 -1.719 1.00 0.00 N ATOM 683 CA ARG A 49 -7.953 12.082 -1.254 1.00 0.00 C ATOM 684 C ARG A 49 -8.876 12.532 -2.381 1.00 0.00 C ATOM 685 O ARG A 49 -9.304 13.686 -2.424 1.00 0.00 O ATOM 686 CB ARG A 49 -7.184 13.282 -0.699 1.00 0.00 C ATOM 687 CG ARG A 49 -6.518 13.013 0.640 1.00 0.00 C ATOM 688 CD ARG A 49 -5.535 14.114 1.005 1.00 0.00 C ATOM 689 NE ARG A 49 -6.215 15.329 1.448 1.00 0.00 N ATOM 690 CZ ARG A 49 -5.639 16.529 1.484 1.00 0.00 C ATOM 691 NH1 ARG A 49 -4.376 16.679 1.104 1.00 0.00 N ATOM 692 NH2 ARG A 49 -6.329 17.582 1.899 1.00 0.00 N ATOM 0 H ARG A 49 -6.301 11.399 -2.351 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.563 11.651 -0.460 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.423 13.580 -1.420 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.869 14.123 -0.592 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.279 12.931 1.416 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.997 12.056 0.603 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.872 13.761 1.795 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.910 14.343 0.142 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.187 15.254 1.747 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.841 15.872 0.782 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.940 17.601 1.134 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.300 17.473 2.190 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.889 18.502 1.927 1.00 0.00 H new ATOM 706 N SER A 50 -9.179 11.615 -3.294 1.00 0.00 N ATOM 707 CA SER A 50 -10.053 11.918 -4.422 1.00 0.00 C ATOM 708 C SER A 50 -10.460 10.643 -5.153 1.00 0.00 C ATOM 709 O SER A 50 -9.925 9.566 -4.889 1.00 0.00 O ATOM 710 CB SER A 50 -9.355 12.874 -5.391 1.00 0.00 C ATOM 711 OG SER A 50 -8.088 12.373 -5.778 1.00 0.00 O ATOM 0 H SER A 50 -8.832 10.656 -3.275 1.00 0.00 H new ATOM 0 HA SER A 50 -10.953 12.396 -4.035 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.977 13.020 -6.274 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.235 13.850 -4.921 1.00 0.00 H new ATOM 0 HG SER A 50 -7.663 13.001 -6.399 1.00 0.00 H new ATOM 717 N ALA A 51 -11.409 10.773 -6.074 1.00 0.00 N ATOM 718 CA ALA A 51 -11.887 9.632 -6.844 1.00 0.00 C ATOM 719 C ALA A 51 -10.940 9.309 -7.994 1.00 0.00 C ATOM 720 O ALA A 51 -11.085 9.834 -9.097 1.00 0.00 O ATOM 721 CB ALA A 51 -13.289 9.902 -7.372 1.00 0.00 C ATOM 0 H ALA A 51 -11.862 11.657 -6.305 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.920 8.767 -6.182 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.634 9.042 -7.945 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.966 10.075 -6.535 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -13.273 10.783 -8.014 1.00 0.00 H new ATOM 727 N LYS A 52 -9.969 8.441 -7.728 1.00 0.00 N ATOM 728 CA LYS A 52 -8.997 8.047 -8.741 1.00 0.00 C ATOM 729 C LYS A 52 -8.428 6.664 -8.441 1.00 0.00 C ATOM 730 O LYS A 52 -7.250 6.401 -8.681 1.00 0.00 O ATOM 731 CB LYS A 52 -7.864 9.072 -8.816 1.00 0.00 C ATOM 732 CG LYS A 52 -8.177 10.262 -9.709 1.00 0.00 C ATOM 733 CD LYS A 52 -6.908 10.964 -10.165 1.00 0.00 C ATOM 734 CE LYS A 52 -6.162 10.145 -11.205 1.00 0.00 C ATOM 735 NZ LYS A 52 -4.691 10.368 -11.137 1.00 0.00 N ATOM 0 H LYS A 52 -9.835 7.997 -6.819 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.508 8.009 -9.703 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.643 9.431 -7.811 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.964 8.580 -9.184 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.742 9.927 -10.579 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.810 10.966 -9.170 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.160 11.940 -10.581 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.260 11.141 -9.306 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.376 9.087 -11.055 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.523 10.406 -12.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.219 9.791 -11.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.484 11.373 -11.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.342 10.095 -10.196 1.00 0.00 H new ATOM 749 N GLY A 53 -9.273 5.782 -7.916 1.00 0.00 N ATOM 750 CA GLY A 53 -8.836 4.437 -7.592 1.00 0.00 C ATOM 751 C GLY A 53 -9.749 3.374 -8.171 1.00 0.00 C ATOM 752 O GLY A 53 -10.536 3.649 -9.076 1.00 0.00 O ATOM 0 H GLY A 53 -10.253 5.975 -7.709 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.824 4.287 -7.969 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.793 4.324 -6.509 1.00 0.00 H new ATOM 756 N LYS A 54 -9.642 2.157 -7.647 1.00 0.00 N ATOM 757 CA LYS A 54 -10.465 1.048 -8.117 1.00 0.00 C ATOM 758 C LYS A 54 -11.260 0.435 -6.968 1.00 0.00 C ATOM 759 O LYS A 54 -12.477 0.268 -7.063 1.00 0.00 O ATOM 760 CB LYS A 54 -9.589 -0.022 -8.771 1.00 0.00 C ATOM 761 CG LYS A 54 -8.933 0.436 -10.063 1.00 0.00 C ATOM 762 CD LYS A 54 -7.594 1.107 -9.801 1.00 0.00 C ATOM 763 CE LYS A 54 -7.266 2.133 -10.872 1.00 0.00 C ATOM 764 NZ LYS A 54 -6.933 1.492 -12.174 1.00 0.00 N ATOM 0 H LYS A 54 -8.994 1.914 -6.898 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.167 1.437 -8.855 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.814 -0.325 -8.067 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.197 -0.903 -8.975 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.789 -0.420 -10.723 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.594 1.131 -10.581 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.614 1.592 -8.825 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.808 0.352 -9.766 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.115 2.803 -11.004 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.426 2.744 -10.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.716 2.227 -12.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.107 0.872 -12.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.744 0.929 -12.501 1.00 0.00 H new ATOM 778 N ASN A 55 -10.567 0.102 -5.886 1.00 0.00 N ATOM 779 CA ASN A 55 -11.209 -0.493 -4.720 1.00 0.00 C ATOM 780 C ASN A 55 -11.927 0.568 -3.893 1.00 0.00 C ATOM 781 O ASN A 55 -11.490 1.718 -3.826 1.00 0.00 O ATOM 782 CB ASN A 55 -10.174 -1.216 -3.855 1.00 0.00 C ATOM 783 CG ASN A 55 -9.578 -2.422 -4.554 1.00 0.00 C ATOM 784 OD1 ASN A 55 -10.274 -3.150 -5.263 1.00 0.00 O ATOM 785 ND2 ASN A 55 -8.283 -2.640 -4.357 1.00 0.00 N ATOM 0 H ASN A 55 -9.560 0.234 -5.791 1.00 0.00 H new ATOM 0 HA ASN A 55 -11.947 -1.214 -5.072 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.376 -0.522 -3.591 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.642 -1.534 -2.923 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.827 -3.437 -4.801 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.745 -2.011 -3.761 1.00 0.00 H new ATOM 792 N ASP A 56 -13.030 0.175 -3.263 1.00 0.00 N ATOM 793 CA ASP A 56 -13.808 1.093 -2.440 1.00 0.00 C ATOM 794 C ASP A 56 -13.467 0.921 -0.964 1.00 0.00 C ATOM 795 O ASP A 56 -14.315 1.119 -0.094 1.00 0.00 O ATOM 796 CB ASP A 56 -15.304 0.863 -2.659 1.00 0.00 C ATOM 797 CG ASP A 56 -15.686 0.898 -4.126 1.00 0.00 C ATOM 798 OD1 ASP A 56 -14.910 1.459 -4.928 1.00 0.00 O ATOM 799 OD2 ASP A 56 -16.761 0.364 -4.474 1.00 0.00 O ATOM 0 H ASP A 56 -13.404 -0.773 -3.307 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.556 2.111 -2.737 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.586 -0.101 -2.236 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.868 1.625 -2.121 1.00 0.00 H new ATOM 804 N GLY A 57 -12.220 0.553 -0.688 1.00 0.00 N ATOM 805 CA GLY A 57 -11.789 0.363 0.685 1.00 0.00 C ATOM 806 C GLY A 57 -11.757 -1.100 1.085 1.00 0.00 C ATOM 807 O GLY A 57 -10.975 -1.496 1.950 1.00 0.00 O ATOM 0 H GLY A 57 -11.500 0.383 -1.390 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -10.796 0.794 0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -12.460 0.904 1.352 1.00 0.00 H new ATOM 811 N ALA A 58 -12.608 -1.902 0.456 1.00 0.00 N ATOM 812 CA ALA A 58 -12.674 -3.329 0.751 1.00 0.00 C ATOM 813 C ALA A 58 -12.572 -4.159 -0.524 1.00 0.00 C ATOM 814 O ALA A 58 -13.180 -3.828 -1.542 1.00 0.00 O ATOM 815 CB ALA A 58 -13.960 -3.654 1.494 1.00 0.00 C ATOM 0 H ALA A 58 -13.262 -1.589 -0.261 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.826 -3.584 1.387 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.997 -4.722 1.708 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.991 -3.095 2.429 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.816 -3.378 0.878 1.00 0.00 H new ATOM 821 N VAL A 59 -11.801 -5.240 -0.460 1.00 0.00 N ATOM 822 CA VAL A 59 -11.620 -6.119 -1.609 1.00 0.00 C ATOM 823 C VAL A 59 -12.026 -7.550 -1.274 1.00 0.00 C ATOM 824 O VAL A 59 -11.264 -8.293 -0.653 1.00 0.00 O ATOM 825 CB VAL A 59 -10.159 -6.113 -2.097 1.00 0.00 C ATOM 826 CG1 VAL A 59 -10.030 -6.873 -3.408 1.00 0.00 C ATOM 827 CG2 VAL A 59 -9.652 -4.687 -2.245 1.00 0.00 C ATOM 0 H VAL A 59 -11.292 -5.528 0.376 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.262 -5.738 -2.403 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.544 -6.617 -1.351 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.991 -6.858 -3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.350 -7.905 -3.263 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.657 -6.402 -4.165 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.618 -4.702 -2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.269 -4.155 -2.969 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.705 -4.180 -1.281 1.00 0.00 H new ATOM 837 N GLY A 60 -13.230 -7.931 -1.689 1.00 0.00 N ATOM 838 CA GLY A 60 -13.715 -9.273 -1.424 1.00 0.00 C ATOM 839 C GLY A 60 -14.294 -9.414 -0.029 1.00 0.00 C ATOM 840 O GLY A 60 -15.291 -8.773 0.304 1.00 0.00 O ATOM 0 H GLY A 60 -13.878 -7.335 -2.204 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.477 -9.533 -2.159 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.897 -9.983 -1.549 1.00 0.00 H new ATOM 844 N ASP A 61 -13.668 -10.256 0.787 1.00 0.00 N ATOM 845 CA ASP A 61 -14.126 -10.479 2.153 1.00 0.00 C ATOM 846 C ASP A 61 -13.150 -9.881 3.161 1.00 0.00 C ATOM 847 O ASP A 61 -13.014 -10.378 4.278 1.00 0.00 O ATOM 848 CB ASP A 61 -14.297 -11.976 2.417 1.00 0.00 C ATOM 849 CG ASP A 61 -15.708 -12.456 2.141 1.00 0.00 C ATOM 850 OD1 ASP A 61 -16.587 -12.244 3.002 1.00 0.00 O ATOM 851 OD2 ASP A 61 -15.934 -13.043 1.062 1.00 0.00 O ATOM 0 H ASP A 61 -12.842 -10.795 0.526 1.00 0.00 H new ATOM 0 HA ASP A 61 -15.089 -9.983 2.271 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.598 -12.534 1.794 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -14.040 -12.191 3.454 1.00 0.00 H new ATOM 856 N LYS A 62 -12.473 -8.811 2.758 1.00 0.00 N ATOM 857 CA LYS A 62 -11.509 -8.144 3.626 1.00 0.00 C ATOM 858 C LYS A 62 -11.247 -6.719 3.155 1.00 0.00 C ATOM 859 O LYS A 62 -11.465 -6.389 1.989 1.00 0.00 O ATOM 860 CB LYS A 62 -10.198 -8.932 3.665 1.00 0.00 C ATOM 861 CG LYS A 62 -9.555 -8.975 5.042 1.00 0.00 C ATOM 862 CD LYS A 62 -8.231 -9.721 5.016 1.00 0.00 C ATOM 863 CE LYS A 62 -8.060 -10.595 6.248 1.00 0.00 C ATOM 864 NZ LYS A 62 -7.155 -11.749 5.989 1.00 0.00 N ATOM 0 H LYS A 62 -12.574 -8.387 1.836 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.930 -8.102 4.631 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.386 -9.952 3.329 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.496 -8.488 2.959 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.394 -7.959 5.401 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.232 -9.458 5.746 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.178 -10.339 4.120 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.410 -9.006 4.959 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.659 -9.996 7.065 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.034 -10.963 6.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.065 -12.320 6.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.550 -12.335 5.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.218 -11.398 5.706 1.00 0.00 H new ATOM 878 N ARG A 63 -10.778 -5.875 4.069 1.00 0.00 N ATOM 879 CA ARG A 63 -10.485 -4.483 3.746 1.00 0.00 C ATOM 880 C ARG A 63 -9.091 -4.095 4.227 1.00 0.00 C ATOM 881 O ARG A 63 -8.601 -4.620 5.227 1.00 0.00 O ATOM 882 CB ARG A 63 -11.531 -3.561 4.376 1.00 0.00 C ATOM 883 CG ARG A 63 -11.604 -3.669 5.891 1.00 0.00 C ATOM 884 CD ARG A 63 -13.006 -4.020 6.363 1.00 0.00 C ATOM 885 NE ARG A 63 -13.029 -4.418 7.769 1.00 0.00 N ATOM 886 CZ ARG A 63 -12.630 -5.610 8.208 1.00 0.00 C ATOM 887 NH1 ARG A 63 -12.177 -6.522 7.356 1.00 0.00 N ATOM 888 NH2 ARG A 63 -12.683 -5.890 9.502 1.00 0.00 N ATOM 0 H ARG A 63 -10.593 -6.131 5.039 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.519 -4.372 2.662 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.305 -2.530 4.104 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -12.509 -3.795 3.956 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.903 -4.429 6.236 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.295 -2.724 6.338 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -13.662 -3.162 6.219 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -13.402 -4.830 5.751 1.00 0.00 H new ATOM 0 HE ARG A 63 -13.371 -3.744 8.454 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -12.133 -6.311 6.359 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.873 -7.433 7.699 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.029 -5.193 10.161 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.378 -6.803 9.839 1.00 0.00 H new ATOM 902 N TYR A 64 -8.460 -3.173 3.509 1.00 0.00 N ATOM 903 CA TYR A 64 -7.120 -2.714 3.861 1.00 0.00 C ATOM 904 C TYR A 64 -7.111 -1.222 4.192 1.00 0.00 C ATOM 905 O TYR A 64 -6.091 -0.683 4.623 1.00 0.00 O ATOM 906 CB TYR A 64 -6.147 -2.997 2.716 1.00 0.00 C ATOM 907 CG TYR A 64 -6.190 -4.427 2.225 1.00 0.00 C ATOM 908 CD1 TYR A 64 -7.303 -4.920 1.555 1.00 0.00 C ATOM 909 CD2 TYR A 64 -5.116 -5.285 2.432 1.00 0.00 C ATOM 910 CE1 TYR A 64 -7.345 -6.225 1.106 1.00 0.00 C ATOM 911 CE2 TYR A 64 -5.151 -6.593 1.986 1.00 0.00 C ATOM 912 CZ TYR A 64 -6.268 -7.057 1.323 1.00 0.00 C ATOM 913 OH TYR A 64 -6.306 -8.358 0.877 1.00 0.00 O ATOM 0 H TYR A 64 -8.854 -2.728 2.680 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.803 -3.261 4.749 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.373 -2.329 1.885 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -5.134 -2.765 3.045 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -8.149 -4.272 1.383 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.240 -4.924 2.950 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.218 -6.592 0.587 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -4.309 -7.248 2.156 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.392 -8.367 -0.099 1.00 0.00 H new ATOM 923 N PHE A 65 -8.247 -0.557 3.992 1.00 0.00 N ATOM 924 CA PHE A 65 -8.353 0.870 4.273 1.00 0.00 C ATOM 925 C PHE A 65 -9.801 1.339 4.174 1.00 0.00 C ATOM 926 O PHE A 65 -10.649 0.651 3.606 1.00 0.00 O ATOM 927 CB PHE A 65 -7.479 1.668 3.304 1.00 0.00 C ATOM 928 CG PHE A 65 -7.617 1.233 1.872 1.00 0.00 C ATOM 929 CD1 PHE A 65 -6.841 0.201 1.371 1.00 0.00 C ATOM 930 CD2 PHE A 65 -8.521 1.858 1.029 1.00 0.00 C ATOM 931 CE1 PHE A 65 -6.966 -0.201 0.055 1.00 0.00 C ATOM 932 CE2 PHE A 65 -8.650 1.461 -0.288 1.00 0.00 C ATOM 933 CZ PHE A 65 -7.871 0.430 -0.776 1.00 0.00 C ATOM 0 H PHE A 65 -9.103 -0.983 3.638 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.004 1.041 5.291 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.737 2.724 3.381 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.436 1.572 3.605 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.131 -0.295 2.016 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.132 2.665 1.406 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.356 -1.008 -0.324 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.359 1.956 -0.935 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.969 0.118 -1.805 1.00 0.00 H new ATOM 943 N THR A 66 -10.075 2.515 4.728 1.00 0.00 N ATOM 944 CA THR A 66 -11.421 3.079 4.703 1.00 0.00 C ATOM 945 C THR A 66 -11.457 4.359 3.876 1.00 0.00 C ATOM 946 O THR A 66 -10.648 5.265 4.078 1.00 0.00 O ATOM 947 CB THR A 66 -11.903 3.363 6.126 1.00 0.00 C ATOM 948 OG1 THR A 66 -11.372 2.414 7.034 1.00 0.00 O ATOM 949 CG2 THR A 66 -13.410 3.336 6.263 1.00 0.00 C ATOM 0 H THR A 66 -9.383 3.097 5.200 1.00 0.00 H new ATOM 0 HA THR A 66 -12.086 2.350 4.241 1.00 0.00 H new ATOM 0 HB THR A 66 -11.551 4.369 6.355 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.690 2.614 7.939 1.00 0.00 H new ATOM 0 HG21 THR A 66 -13.685 3.545 7.297 1.00 0.00 H new ATOM 0 HG22 THR A 66 -13.848 4.092 5.611 1.00 0.00 H new ATOM 0 HG23 THR A 66 -13.783 2.352 5.980 1.00 0.00 H new ATOM 957 N CYS A 67 -12.401 4.429 2.943 1.00 0.00 N ATOM 958 CA CYS A 67 -12.544 5.598 2.085 1.00 0.00 C ATOM 959 C CYS A 67 -13.789 5.487 1.212 1.00 0.00 C ATOM 960 O CYS A 67 -14.535 4.512 1.299 1.00 0.00 O ATOM 961 CB CYS A 67 -11.302 5.764 1.205 1.00 0.00 C ATOM 962 SG CYS A 67 -11.003 4.379 0.082 1.00 0.00 S ATOM 0 H CYS A 67 -13.079 3.689 2.762 1.00 0.00 H new ATOM 0 HA CYS A 67 -12.650 6.475 2.724 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -11.404 6.677 0.619 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -10.430 5.893 1.846 1.00 0.00 H new ATOM 0 HG CYS A 67 -9.726 4.263 -0.133 1.00 0.00 H new ATOM 968 N LYS A 68 -14.007 6.492 0.370 1.00 0.00 N ATOM 969 CA LYS A 68 -15.161 6.507 -0.521 1.00 0.00 C ATOM 970 C LYS A 68 -14.940 5.584 -1.717 1.00 0.00 C ATOM 971 O LYS A 68 -13.821 5.132 -1.962 1.00 0.00 O ATOM 972 CB LYS A 68 -15.437 7.932 -1.005 1.00 0.00 C ATOM 973 CG LYS A 68 -16.372 8.714 -0.096 1.00 0.00 C ATOM 974 CD LYS A 68 -17.766 8.827 -0.692 1.00 0.00 C ATOM 975 CE LYS A 68 -17.772 9.708 -1.932 1.00 0.00 C ATOM 976 NZ LYS A 68 -19.016 10.520 -2.030 1.00 0.00 N ATOM 0 H LYS A 68 -13.399 7.307 0.286 1.00 0.00 H new ATOM 0 HA LYS A 68 -16.025 6.145 0.037 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.492 8.468 -1.087 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -15.868 7.890 -2.005 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.430 8.224 0.876 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -15.966 9.711 0.073 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -18.135 7.834 -0.948 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -18.449 9.239 0.051 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -16.907 10.371 -1.911 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -17.674 9.085 -2.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -18.981 11.106 -2.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -19.841 9.888 -2.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -19.097 11.134 -1.194 1.00 0.00 H new ATOM 990 N PRO A 69 -16.007 5.291 -2.479 1.00 0.00 N ATOM 991 CA PRO A 69 -15.922 4.417 -3.654 1.00 0.00 C ATOM 992 C PRO A 69 -14.860 4.882 -4.645 1.00 0.00 C ATOM 993 O PRO A 69 -14.906 6.011 -5.134 1.00 0.00 O ATOM 994 CB PRO A 69 -17.316 4.517 -4.279 1.00 0.00 C ATOM 995 CG PRO A 69 -18.209 4.915 -3.155 1.00 0.00 C ATOM 996 CD PRO A 69 -17.378 5.787 -2.258 1.00 0.00 C ATOM 0 HA PRO A 69 -15.636 3.401 -3.384 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -17.338 5.254 -5.082 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -17.625 3.565 -4.712 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -19.083 5.453 -3.522 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -18.576 4.040 -2.619 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -17.472 6.841 -2.521 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -17.677 5.691 -1.214 1.00 0.00 H new ATOM 1004 N ASN A 70 -13.905 4.005 -4.937 1.00 0.00 N ATOM 1005 CA ASN A 70 -12.831 4.326 -5.871 1.00 0.00 C ATOM 1006 C ASN A 70 -11.991 5.491 -5.357 1.00 0.00 C ATOM 1007 O ASN A 70 -11.922 6.547 -5.987 1.00 0.00 O ATOM 1008 CB ASN A 70 -13.408 4.661 -7.248 1.00 0.00 C ATOM 1009 CG ASN A 70 -13.490 3.446 -8.152 1.00 0.00 C ATOM 1010 OD1 ASN A 70 -13.724 2.329 -7.691 1.00 0.00 O ATOM 1011 ND2 ASN A 70 -13.295 3.658 -9.448 1.00 0.00 N ATOM 0 H ASN A 70 -13.853 3.067 -4.541 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.186 3.452 -5.959 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -14.403 5.089 -7.128 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.789 5.423 -7.723 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -13.337 2.878 -10.104 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -13.104 4.601 -9.787 1.00 0.00 H new ATOM 1018 N TYR A 71 -11.352 5.292 -4.209 1.00 0.00 N ATOM 1019 CA TYR A 71 -10.514 6.325 -3.610 1.00 0.00 C ATOM 1020 C TYR A 71 -9.112 5.792 -3.332 1.00 0.00 C ATOM 1021 O TYR A 71 -8.117 6.393 -3.739 1.00 0.00 O ATOM 1022 CB TYR A 71 -11.145 6.836 -2.313 1.00 0.00 C ATOM 1023 CG TYR A 71 -11.955 8.101 -2.491 1.00 0.00 C ATOM 1024 CD1 TYR A 71 -13.133 8.096 -3.229 1.00 0.00 C ATOM 1025 CD2 TYR A 71 -11.541 9.299 -1.922 1.00 0.00 C ATOM 1026 CE1 TYR A 71 -13.875 9.250 -3.394 1.00 0.00 C ATOM 1027 CE2 TYR A 71 -12.279 10.456 -2.083 1.00 0.00 C ATOM 1028 CZ TYR A 71 -13.444 10.427 -2.819 1.00 0.00 C ATOM 1029 OH TYR A 71 -14.181 11.577 -2.981 1.00 0.00 O ATOM 0 H TYR A 71 -11.398 4.425 -3.674 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.437 7.151 -4.317 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.788 6.058 -1.900 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.357 7.019 -1.583 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -13.474 7.176 -3.680 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.628 9.326 -1.345 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.788 9.230 -3.970 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.944 11.379 -1.634 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.741 12.316 -2.512 1.00 0.00 H new ATOM 1039 N GLY A 72 -9.042 4.661 -2.639 1.00 0.00 N ATOM 1040 CA GLY A 72 -7.759 4.066 -2.319 1.00 0.00 C ATOM 1041 C GLY A 72 -7.304 3.071 -3.368 1.00 0.00 C ATOM 1042 O GLY A 72 -8.017 2.812 -4.339 1.00 0.00 O ATOM 0 H GLY A 72 -9.852 4.146 -2.293 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.011 4.853 -2.221 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.825 3.566 -1.353 1.00 0.00 H new ATOM 1046 N VAL A 73 -6.115 2.512 -3.175 1.00 0.00 N ATOM 1047 CA VAL A 73 -5.567 1.539 -4.112 1.00 0.00 C ATOM 1048 C VAL A 73 -4.648 0.550 -3.406 1.00 0.00 C ATOM 1049 O VAL A 73 -4.239 0.772 -2.266 1.00 0.00 O ATOM 1050 CB VAL A 73 -4.784 2.229 -5.246 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -5.734 2.954 -6.186 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -3.754 3.190 -4.672 1.00 0.00 C ATOM 0 H VAL A 73 -5.512 2.716 -2.378 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.414 1.002 -4.539 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.257 1.465 -5.818 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.163 3.435 -6.980 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.431 2.238 -6.622 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.290 3.709 -5.630 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.210 3.669 -5.486 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.258 3.951 -4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.055 2.640 -4.042 1.00 0.00 H new ATOM 1062 N LEU A 74 -4.327 -0.544 -4.088 1.00 0.00 N ATOM 1063 CA LEU A 74 -3.456 -1.569 -3.525 1.00 0.00 C ATOM 1064 C LEU A 74 -2.310 -1.892 -4.478 1.00 0.00 C ATOM 1065 O LEU A 74 -2.532 -2.327 -5.608 1.00 0.00 O ATOM 1066 CB LEU A 74 -4.256 -2.837 -3.220 1.00 0.00 C ATOM 1067 CG LEU A 74 -4.854 -2.902 -1.813 1.00 0.00 C ATOM 1068 CD1 LEU A 74 -6.249 -3.507 -1.849 1.00 0.00 C ATOM 1069 CD2 LEU A 74 -3.948 -3.702 -0.888 1.00 0.00 C ATOM 0 H LEU A 74 -4.657 -0.744 -5.032 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.034 -1.183 -2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.064 -2.922 -3.946 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.607 -3.701 -3.363 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.933 -1.886 -1.426 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.656 -3.544 -0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.895 -2.895 -2.478 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.197 -4.517 -2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.387 -3.739 0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.838 -4.715 -1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.969 -3.225 -0.836 1.00 0.00 H new ATOM 1081 N VAL A 75 -1.084 -1.674 -4.013 1.00 0.00 N ATOM 1082 CA VAL A 75 0.099 -1.941 -4.824 1.00 0.00 C ATOM 1083 C VAL A 75 1.185 -2.625 -4.001 1.00 0.00 C ATOM 1084 O VAL A 75 1.006 -2.881 -2.810 1.00 0.00 O ATOM 1085 CB VAL A 75 0.669 -0.645 -5.429 1.00 0.00 C ATOM 1086 CG1 VAL A 75 -0.202 -0.164 -6.581 1.00 0.00 C ATOM 1087 CG2 VAL A 75 0.796 0.431 -4.363 1.00 0.00 C ATOM 0 H VAL A 75 -0.884 -1.314 -3.080 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.213 -2.603 -5.632 1.00 0.00 H new ATOM 0 HB VAL A 75 1.664 -0.856 -5.820 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.217 0.753 -6.996 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.236 -0.930 -7.356 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.211 0.030 -6.218 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.200 1.339 -4.809 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.186 0.641 -3.939 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.465 0.085 -3.575 1.00 0.00 H new ATOM 1097 N ARG A 76 2.311 -2.918 -4.643 1.00 0.00 N ATOM 1098 CA ARG A 76 3.427 -3.572 -3.969 1.00 0.00 C ATOM 1099 C ARG A 76 4.597 -2.608 -3.790 1.00 0.00 C ATOM 1100 O ARG A 76 4.724 -1.632 -4.525 1.00 0.00 O ATOM 1101 CB ARG A 76 3.878 -4.801 -4.761 1.00 0.00 C ATOM 1102 CG ARG A 76 2.772 -5.818 -4.988 1.00 0.00 C ATOM 1103 CD ARG A 76 3.312 -7.105 -5.592 1.00 0.00 C ATOM 1104 NE ARG A 76 3.635 -6.953 -7.010 1.00 0.00 N ATOM 1105 CZ ARG A 76 4.816 -6.540 -7.467 1.00 0.00 C ATOM 1106 NH1 ARG A 76 5.795 -6.234 -6.623 1.00 0.00 N ATOM 1107 NH2 ARG A 76 5.020 -6.433 -8.772 1.00 0.00 N ATOM 0 H ARG A 76 2.475 -2.713 -5.629 1.00 0.00 H new ATOM 0 HA ARG A 76 3.088 -3.888 -2.982 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.267 -4.478 -5.727 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.700 -5.283 -4.231 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.279 -6.038 -4.041 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.017 -5.394 -5.649 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.205 -7.414 -5.048 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.575 -7.899 -5.471 1.00 0.00 H new ATOM 0 HE ARG A 76 2.910 -7.177 -7.692 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.645 -6.315 -5.617 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.697 -5.918 -6.981 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.273 -6.667 -9.426 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.924 -6.117 -9.123 1.00 0.00 H new ATOM 1121 N PRO A 77 5.471 -2.874 -2.798 1.00 0.00 N ATOM 1122 CA PRO A 77 6.634 -2.028 -2.526 1.00 0.00 C ATOM 1123 C PRO A 77 7.365 -1.662 -3.808 1.00 0.00 C ATOM 1124 O PRO A 77 7.619 -0.490 -4.082 1.00 0.00 O ATOM 1125 CB PRO A 77 7.506 -2.913 -1.638 1.00 0.00 C ATOM 1126 CG PRO A 77 6.539 -3.789 -0.920 1.00 0.00 C ATOM 1127 CD PRO A 77 5.393 -4.021 -1.871 1.00 0.00 C ATOM 0 HA PRO A 77 6.368 -1.078 -2.062 1.00 0.00 H new ATOM 0 HB2 PRO A 77 8.209 -3.499 -2.230 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.096 -2.318 -0.941 1.00 0.00 H new ATOM 0 HG2 PRO A 77 7.006 -4.732 -0.636 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.193 -3.315 -0.002 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.495 -4.970 -2.398 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.437 -4.049 -1.348 1.00 0.00 H new ATOM 1135 N SER A 78 7.678 -2.678 -4.605 1.00 0.00 N ATOM 1136 CA SER A 78 8.353 -2.464 -5.875 1.00 0.00 C ATOM 1137 C SER A 78 7.554 -1.484 -6.725 1.00 0.00 C ATOM 1138 O SER A 78 8.098 -0.827 -7.612 1.00 0.00 O ATOM 1139 CB SER A 78 8.526 -3.789 -6.620 1.00 0.00 C ATOM 1140 OG SER A 78 9.102 -4.775 -5.782 1.00 0.00 O ATOM 0 H SER A 78 7.475 -3.655 -4.393 1.00 0.00 H new ATOM 0 HA SER A 78 9.341 -2.046 -5.682 1.00 0.00 H new ATOM 0 HB2 SER A 78 7.558 -4.135 -6.981 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.158 -3.638 -7.495 1.00 0.00 H new ATOM 0 HG SER A 78 9.200 -5.612 -6.282 1.00 0.00 H new ATOM 1146 N ARG A 79 6.257 -1.383 -6.434 1.00 0.00 N ATOM 1147 CA ARG A 79 5.384 -0.474 -7.160 1.00 0.00 C ATOM 1148 C ARG A 79 5.273 0.869 -6.440 1.00 0.00 C ATOM 1149 O ARG A 79 4.733 1.830 -6.990 1.00 0.00 O ATOM 1150 CB ARG A 79 3.994 -1.092 -7.331 1.00 0.00 C ATOM 1151 CG ARG A 79 4.014 -2.459 -7.997 1.00 0.00 C ATOM 1152 CD ARG A 79 3.110 -2.500 -9.219 1.00 0.00 C ATOM 1153 NE ARG A 79 2.988 -3.849 -9.765 1.00 0.00 N ATOM 1154 CZ ARG A 79 2.040 -4.219 -10.623 1.00 0.00 C ATOM 1155 NH1 ARG A 79 1.131 -3.344 -11.037 1.00 0.00 N ATOM 1156 NH2 ARG A 79 2.000 -5.467 -11.071 1.00 0.00 N ATOM 0 H ARG A 79 5.793 -1.920 -5.702 1.00 0.00 H new ATOM 0 HA ARG A 79 5.820 -0.302 -8.144 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.522 -1.181 -6.353 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.376 -0.417 -7.923 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.034 -2.707 -8.290 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.695 -3.217 -7.282 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.122 -2.127 -8.951 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.506 -1.833 -9.985 1.00 0.00 H new ATOM 0 HE ARG A 79 3.669 -4.549 -9.472 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.157 -2.383 -10.697 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.407 -3.633 -11.695 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.696 -6.144 -10.758 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.273 -5.750 -11.728 1.00 0.00 H new ATOM 1170 N VAL A 80 5.786 0.939 -5.209 1.00 0.00 N ATOM 1171 CA VAL A 80 5.730 2.180 -4.438 1.00 0.00 C ATOM 1172 C VAL A 80 7.075 2.500 -3.793 1.00 0.00 C ATOM 1173 O VAL A 80 7.636 1.688 -3.059 1.00 0.00 O ATOM 1174 CB VAL A 80 4.648 2.121 -3.344 1.00 0.00 C ATOM 1175 CG1 VAL A 80 3.259 2.181 -3.961 1.00 0.00 C ATOM 1176 CG2 VAL A 80 4.807 0.872 -2.492 1.00 0.00 C ATOM 0 H VAL A 80 6.239 0.160 -4.731 1.00 0.00 H new ATOM 0 HA VAL A 80 5.477 2.970 -5.145 1.00 0.00 H new ATOM 0 HB VAL A 80 4.772 2.989 -2.696 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.508 2.138 -3.172 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.148 3.112 -4.517 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.124 1.336 -4.637 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.031 0.853 -1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.717 -0.012 -3.123 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.787 0.879 -2.015 1.00 0.00 H new ATOM 1186 N THR A 81 7.585 3.696 -4.070 1.00 0.00 N ATOM 1187 CA THR A 81 8.863 4.130 -3.516 1.00 0.00 C ATOM 1188 C THR A 81 8.734 5.504 -2.865 1.00 0.00 C ATOM 1189 O THR A 81 8.235 6.447 -3.480 1.00 0.00 O ATOM 1190 CB THR A 81 9.929 4.169 -4.610 1.00 0.00 C ATOM 1191 OG1 THR A 81 9.660 3.197 -5.606 1.00 0.00 O ATOM 1192 CG2 THR A 81 11.329 3.920 -4.092 1.00 0.00 C ATOM 0 H THR A 81 7.133 4.382 -4.675 1.00 0.00 H new ATOM 0 HA THR A 81 9.163 3.413 -2.752 1.00 0.00 H new ATOM 0 HB THR A 81 9.886 5.178 -5.020 1.00 0.00 H new ATOM 0 HG1 THR A 81 10.352 3.238 -6.299 1.00 0.00 H new ATOM 0 HG21 THR A 81 12.036 3.962 -4.920 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.586 4.683 -3.357 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.375 2.936 -3.625 1.00 0.00 H new