USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=15 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 50 SER OG : rot -170:sc= 0 USER MOD Set 1.2: A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 18 GLN : amide:sc= 0.676 X(o=1.3,f=1.5) USER MOD Set 2.2: A 29 THR OG1 : rot 180:sc= 0.609 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.0007) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -42:sc= 1.02 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= -0.341 K(o=-0.34,f=-3!) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -169:sc= 0.852 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -3.82! C(o=-3.8!,f=-4.7!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0.697 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -140:sc= -1.08 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.974 K(o=-0.97,f=-3.3!) 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= -0.201 USER MOD ----------------------------------------------------------------- ATOM 142 N LEU A 13 7.135 -1.077 4.448 1.00 0.00 N ATOM 143 CA LEU A 13 6.552 0.177 4.914 1.00 0.00 C ATOM 144 C LEU A 13 5.611 -0.064 6.090 1.00 0.00 C ATOM 145 O LEU A 13 4.938 -1.093 6.158 1.00 0.00 O ATOM 146 CB LEU A 13 5.799 0.868 3.775 1.00 0.00 C ATOM 147 CG LEU A 13 6.682 1.436 2.664 1.00 0.00 C ATOM 148 CD1 LEU A 13 5.861 1.696 1.411 1.00 0.00 C ATOM 149 CD2 LEU A 13 7.366 2.713 3.128 1.00 0.00 C ATOM 0 HA LEU A 13 7.363 0.824 5.249 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.103 0.154 3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.202 1.678 4.194 1.00 0.00 H new ATOM 0 HG LEU A 13 7.451 0.701 2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.506 2.100 0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.417 0.762 1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.071 2.412 1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.991 3.104 2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.612 3.454 3.394 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.986 2.498 3.998 1.00 0.00 H new ATOM 161 N HIS A 14 5.569 0.891 7.012 1.00 0.00 N ATOM 162 CA HIS A 14 4.709 0.782 8.185 1.00 0.00 C ATOM 163 C HIS A 14 3.454 1.632 8.021 1.00 0.00 C ATOM 164 O HIS A 14 3.309 2.359 7.038 1.00 0.00 O ATOM 165 CB HIS A 14 5.469 1.210 9.442 1.00 0.00 C ATOM 166 CG HIS A 14 6.526 0.238 9.863 1.00 0.00 C ATOM 167 ND1 HIS A 14 7.841 0.581 10.088 1.00 0.00 N ATOM 168 CD2 HIS A 14 6.443 -1.096 10.101 1.00 0.00 C ATOM 169 CE1 HIS A 14 8.500 -0.528 10.447 1.00 0.00 C ATOM 170 NE2 HIS A 14 7.696 -1.574 10.471 1.00 0.00 N ATOM 0 H HIS A 14 6.120 1.749 6.970 1.00 0.00 H new ATOM 0 HA HIS A 14 4.408 -0.261 8.288 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.930 2.181 9.264 1.00 0.00 H new ATOM 0 HB3 HIS A 14 4.759 1.339 10.259 1.00 0.00 H new ATOM 0 HD2 HIS A 14 5.546 -1.692 10.016 1.00 0.00 H new ATOM 0 HE1 HIS A 14 9.553 -0.562 10.686 1.00 0.00 H new ATOM 0 HE2 HIS A 14 7.942 -2.534 10.711 1.00 0.00 H new ATOM 178 N GLU A 15 2.550 1.537 8.990 1.00 0.00 N ATOM 179 CA GLU A 15 1.307 2.298 8.954 1.00 0.00 C ATOM 180 C GLU A 15 1.546 3.750 9.354 1.00 0.00 C ATOM 181 O GLU A 15 1.901 4.039 10.496 1.00 0.00 O ATOM 182 CB GLU A 15 0.270 1.665 9.883 1.00 0.00 C ATOM 183 CG GLU A 15 -0.001 0.199 9.584 1.00 0.00 C ATOM 184 CD GLU A 15 -0.095 -0.645 10.840 1.00 0.00 C ATOM 185 OE1 GLU A 15 -0.528 -0.111 11.883 1.00 0.00 O ATOM 186 OE2 GLU A 15 0.262 -1.840 10.780 1.00 0.00 O ATOM 0 H GLU A 15 2.655 0.940 9.810 1.00 0.00 H new ATOM 0 HA GLU A 15 0.928 2.279 7.932 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.612 1.760 10.914 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.664 2.222 9.804 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.931 0.113 9.022 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.793 -0.191 8.947 1.00 0.00 H new ATOM 193 N GLY A 16 1.350 4.660 8.403 1.00 0.00 N ATOM 194 CA GLY A 16 1.550 6.072 8.676 1.00 0.00 C ATOM 195 C GLY A 16 2.725 6.648 7.910 1.00 0.00 C ATOM 196 O GLY A 16 3.443 7.508 8.419 1.00 0.00 O ATOM 0 H GLY A 16 1.057 4.445 7.450 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.645 6.621 8.415 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.712 6.213 9.745 1.00 0.00 H new ATOM 200 N SER A 17 2.920 6.173 6.684 1.00 0.00 N ATOM 201 CA SER A 17 4.015 6.646 5.847 1.00 0.00 C ATOM 202 C SER A 17 3.490 7.207 4.529 1.00 0.00 C ATOM 203 O SER A 17 2.299 7.114 4.235 1.00 0.00 O ATOM 204 CB SER A 17 5.003 5.510 5.574 1.00 0.00 C ATOM 205 OG SER A 17 6.043 5.495 6.537 1.00 0.00 O ATOM 0 H SER A 17 2.334 5.461 6.249 1.00 0.00 H new ATOM 0 HA SER A 17 4.529 7.445 6.382 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.477 4.555 5.588 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.428 5.626 4.577 1.00 0.00 H new ATOM 0 HG SER A 17 6.660 4.759 6.341 1.00 0.00 H new ATOM 211 N GLN A 18 4.388 7.788 3.740 1.00 0.00 N ATOM 212 CA GLN A 18 4.017 8.364 2.452 1.00 0.00 C ATOM 213 C GLN A 18 4.823 7.733 1.322 1.00 0.00 C ATOM 214 O GLN A 18 6.035 7.550 1.439 1.00 0.00 O ATOM 215 CB GLN A 18 4.232 9.878 2.466 1.00 0.00 C ATOM 216 CG GLN A 18 3.404 10.601 3.517 1.00 0.00 C ATOM 217 CD GLN A 18 1.963 10.799 3.088 1.00 0.00 C ATOM 218 OE1 GLN A 18 1.682 11.503 2.119 1.00 0.00 O ATOM 219 NE2 GLN A 18 1.040 10.176 3.813 1.00 0.00 N ATOM 0 H GLN A 18 5.378 7.873 3.970 1.00 0.00 H new ATOM 0 HA GLN A 18 2.961 8.157 2.279 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.288 10.085 2.642 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.988 10.280 1.483 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.428 10.033 4.447 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.854 11.572 3.725 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.318 9.602 4.609 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.053 10.272 3.574 1.00 0.00 H new ATOM 228 N VAL A 19 4.143 7.403 0.229 1.00 0.00 N ATOM 229 CA VAL A 19 4.797 6.793 -0.922 1.00 0.00 C ATOM 230 C VAL A 19 4.286 7.393 -2.227 1.00 0.00 C ATOM 231 O VAL A 19 3.104 7.710 -2.354 1.00 0.00 O ATOM 232 CB VAL A 19 4.576 5.269 -0.951 1.00 0.00 C ATOM 233 CG1 VAL A 19 5.267 4.605 0.230 1.00 0.00 C ATOM 234 CG2 VAL A 19 3.089 4.945 -0.959 1.00 0.00 C ATOM 0 H VAL A 19 3.140 7.548 0.116 1.00 0.00 H new ATOM 0 HA VAL A 19 5.863 6.997 -0.824 1.00 0.00 H new ATOM 0 HB VAL A 19 5.016 4.875 -1.867 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.099 3.529 0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.337 4.807 0.186 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.861 5.003 1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.952 3.864 -0.980 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.623 5.353 -0.062 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.625 5.386 -1.841 1.00 0.00 H new ATOM 244 N LEU A 20 5.185 7.547 -3.194 1.00 0.00 N ATOM 245 CA LEU A 20 4.825 8.109 -4.490 1.00 0.00 C ATOM 246 C LEU A 20 4.941 7.059 -5.590 1.00 0.00 C ATOM 247 O LEU A 20 5.977 6.410 -5.735 1.00 0.00 O ATOM 248 CB LEU A 20 5.720 9.307 -4.815 1.00 0.00 C ATOM 249 CG LEU A 20 5.467 9.952 -6.179 1.00 0.00 C ATOM 250 CD1 LEU A 20 4.355 10.984 -6.083 1.00 0.00 C ATOM 251 CD2 LEU A 20 6.743 10.588 -6.711 1.00 0.00 C ATOM 0 H LEU A 20 6.168 7.290 -3.104 1.00 0.00 H new ATOM 0 HA LEU A 20 3.788 8.442 -4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.584 10.063 -4.042 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.761 8.987 -4.769 1.00 0.00 H new ATOM 0 HG LEU A 20 5.153 9.175 -6.876 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.189 11.432 -7.063 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.438 10.501 -5.745 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.639 11.760 -5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.546 11.042 -7.682 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.085 11.354 -6.015 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.513 9.824 -6.818 1.00 0.00 H new ATOM 263 N LEU A 21 3.873 6.898 -6.364 1.00 0.00 N ATOM 264 CA LEU A 21 3.856 5.928 -7.451 1.00 0.00 C ATOM 265 C LEU A 21 4.816 6.337 -8.562 1.00 0.00 C ATOM 266 O LEU A 21 4.987 7.523 -8.842 1.00 0.00 O ATOM 267 CB LEU A 21 2.439 5.783 -8.011 1.00 0.00 C ATOM 268 CG LEU A 21 1.367 5.430 -6.979 1.00 0.00 C ATOM 269 CD1 LEU A 21 -0.021 5.694 -7.540 1.00 0.00 C ATOM 270 CD2 LEU A 21 1.503 3.978 -6.546 1.00 0.00 C ATOM 0 H LEU A 21 3.008 7.428 -6.258 1.00 0.00 H new ATOM 0 HA LEU A 21 4.181 4.967 -7.052 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.160 6.718 -8.497 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.447 5.013 -8.782 1.00 0.00 H new ATOM 0 HG LEU A 21 1.508 6.064 -6.104 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.771 5.437 -6.792 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.114 6.749 -7.800 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.175 5.086 -8.431 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.732 3.744 -5.812 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.388 3.327 -7.413 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.486 3.821 -6.103 1.00 0.00 H new ATOM 282 N THR A 22 5.440 5.347 -9.193 1.00 0.00 N ATOM 283 CA THR A 22 6.385 5.604 -10.274 1.00 0.00 C ATOM 284 C THR A 22 5.721 5.414 -11.633 1.00 0.00 C ATOM 285 O THR A 22 6.370 5.024 -12.603 1.00 0.00 O ATOM 286 CB THR A 22 7.596 4.678 -10.152 1.00 0.00 C ATOM 287 OG1 THR A 22 8.550 4.964 -11.159 1.00 0.00 O ATOM 288 CG2 THR A 22 7.240 3.211 -10.260 1.00 0.00 C ATOM 0 H THR A 22 5.308 4.359 -8.974 1.00 0.00 H new ATOM 0 HA THR A 22 6.718 6.639 -10.193 1.00 0.00 H new ATOM 0 HB THR A 22 8.003 4.865 -9.158 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.091 5.113 -12.012 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.144 2.609 -10.165 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.543 2.946 -9.465 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.776 3.019 -11.228 1.00 0.00 H new ATOM 296 N SER A 23 4.423 5.693 -11.696 1.00 0.00 N ATOM 297 CA SER A 23 3.671 5.554 -12.938 1.00 0.00 C ATOM 298 C SER A 23 2.654 6.681 -13.086 1.00 0.00 C ATOM 299 O SER A 23 2.552 7.305 -14.143 1.00 0.00 O ATOM 300 CB SER A 23 2.959 4.201 -12.977 1.00 0.00 C ATOM 301 OG SER A 23 3.849 3.147 -12.656 1.00 0.00 O ATOM 0 H SER A 23 3.870 6.016 -10.902 1.00 0.00 H new ATOM 0 HA SER A 23 4.374 5.612 -13.769 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.126 4.205 -12.274 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.538 4.036 -13.969 1.00 0.00 H new ATOM 0 HG SER A 23 3.369 2.293 -12.686 1.00 0.00 H new ATOM 307 N SER A 24 1.906 6.938 -12.018 1.00 0.00 N ATOM 308 CA SER A 24 0.898 7.993 -12.026 1.00 0.00 C ATOM 309 C SER A 24 1.455 9.288 -11.441 1.00 0.00 C ATOM 310 O SER A 24 0.936 10.372 -11.709 1.00 0.00 O ATOM 311 CB SER A 24 -0.336 7.552 -11.236 1.00 0.00 C ATOM 312 OG SER A 24 -1.527 8.023 -11.844 1.00 0.00 O ATOM 0 H SER A 24 1.978 6.431 -11.136 1.00 0.00 H new ATOM 0 HA SER A 24 0.613 8.179 -13.061 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.362 6.464 -11.173 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.272 7.929 -10.215 1.00 0.00 H new ATOM 0 HG SER A 24 -2.301 7.726 -11.321 1.00 0.00 H new ATOM 318 N ASN A 25 2.512 9.170 -10.641 1.00 0.00 N ATOM 319 CA ASN A 25 3.137 10.333 -10.019 1.00 0.00 C ATOM 320 C ASN A 25 2.202 10.967 -8.993 1.00 0.00 C ATOM 321 O ASN A 25 2.079 12.190 -8.921 1.00 0.00 O ATOM 322 CB ASN A 25 3.527 11.364 -11.081 1.00 0.00 C ATOM 323 CG ASN A 25 4.821 12.077 -10.746 1.00 0.00 C ATOM 324 OD1 ASN A 25 5.428 11.833 -9.702 1.00 0.00 O ATOM 325 ND2 ASN A 25 5.254 12.968 -11.631 1.00 0.00 N ATOM 0 H ASN A 25 2.953 8.280 -10.409 1.00 0.00 H new ATOM 0 HA ASN A 25 4.038 9.998 -9.506 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.628 10.867 -12.046 1.00 0.00 H new ATOM 0 HB3 ASN A 25 2.727 12.097 -11.183 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.119 13.480 -11.458 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.721 13.140 -12.484 1.00 0.00 H new ATOM 332 N GLU A 26 1.547 10.126 -8.200 1.00 0.00 N ATOM 333 CA GLU A 26 0.623 10.603 -7.177 1.00 0.00 C ATOM 334 C GLU A 26 0.944 9.980 -5.822 1.00 0.00 C ATOM 335 O GLU A 26 0.947 8.758 -5.675 1.00 0.00 O ATOM 336 CB GLU A 26 -0.819 10.279 -7.572 1.00 0.00 C ATOM 337 CG GLU A 26 -1.253 10.927 -8.876 1.00 0.00 C ATOM 338 CD GLU A 26 -2.606 10.432 -9.350 1.00 0.00 C ATOM 339 OE1 GLU A 26 -2.980 9.295 -8.992 1.00 0.00 O ATOM 340 OE2 GLU A 26 -3.290 11.181 -10.078 1.00 0.00 O ATOM 0 H GLU A 26 1.639 9.111 -8.246 1.00 0.00 H new ATOM 0 HA GLU A 26 0.736 11.684 -7.096 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.929 9.198 -7.659 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.487 10.604 -6.774 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.291 12.008 -8.745 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.507 10.725 -9.644 1.00 0.00 H new ATOM 347 N MET A 27 1.213 10.828 -4.835 1.00 0.00 N ATOM 348 CA MET A 27 1.534 10.360 -3.492 1.00 0.00 C ATOM 349 C MET A 27 0.318 9.716 -2.834 1.00 0.00 C ATOM 350 O MET A 27 -0.815 10.149 -3.044 1.00 0.00 O ATOM 351 CB MET A 27 2.038 11.521 -2.632 1.00 0.00 C ATOM 352 CG MET A 27 3.186 12.292 -3.265 1.00 0.00 C ATOM 353 SD MET A 27 3.822 13.594 -2.191 1.00 0.00 S ATOM 354 CE MET A 27 5.271 12.792 -1.509 1.00 0.00 C ATOM 0 H MET A 27 1.215 11.843 -4.940 1.00 0.00 H new ATOM 0 HA MET A 27 2.320 9.609 -3.575 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.212 12.206 -2.441 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.360 11.133 -1.666 1.00 0.00 H new ATOM 0 HG2 MET A 27 3.993 11.601 -3.509 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.849 12.732 -4.204 1.00 0.00 H new ATOM 0 HE1 MET A 27 5.775 13.473 -0.823 1.00 0.00 H new ATOM 0 HE2 MET A 27 4.970 11.892 -0.972 1.00 0.00 H new ATOM 0 HE3 MET A 27 5.951 12.522 -2.317 1.00 0.00 H new ATOM 364 N ALA A 28 0.561 8.680 -2.039 1.00 0.00 N ATOM 365 CA ALA A 28 -0.513 7.976 -1.350 1.00 0.00 C ATOM 366 C ALA A 28 -0.101 7.598 0.069 1.00 0.00 C ATOM 367 O ALA A 28 1.065 7.298 0.327 1.00 0.00 O ATOM 368 CB ALA A 28 -0.917 6.737 -2.134 1.00 0.00 C ATOM 0 H ALA A 28 1.493 8.309 -1.856 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.370 8.646 -1.283 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.720 6.220 -1.609 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.262 7.030 -3.126 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.059 6.072 -2.230 1.00 0.00 H new ATOM 374 N THR A 29 -1.064 7.615 0.983 1.00 0.00 N ATOM 375 CA THR A 29 -0.800 7.273 2.377 1.00 0.00 C ATOM 376 C THR A 29 -0.983 5.780 2.616 1.00 0.00 C ATOM 377 O THR A 29 -1.909 5.165 2.090 1.00 0.00 O ATOM 378 CB THR A 29 -1.722 8.066 3.303 1.00 0.00 C ATOM 379 OG1 THR A 29 -1.632 9.454 3.032 1.00 0.00 O ATOM 380 CG2 THR A 29 -1.412 7.864 4.771 1.00 0.00 C ATOM 0 H THR A 29 -2.034 7.862 0.785 1.00 0.00 H new ATOM 0 HA THR A 29 0.235 7.533 2.597 1.00 0.00 H new ATOM 0 HB THR A 29 -2.725 7.689 3.104 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.230 9.944 3.634 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.102 8.455 5.373 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.520 6.809 5.024 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.390 8.183 4.974 1.00 0.00 H new ATOM 388 N VAL A 30 -0.090 5.204 3.414 1.00 0.00 N ATOM 389 CA VAL A 30 -0.152 3.783 3.722 1.00 0.00 C ATOM 390 C VAL A 30 -1.094 3.515 4.892 1.00 0.00 C ATOM 391 O VAL A 30 -1.044 4.205 5.912 1.00 0.00 O ATOM 392 CB VAL A 30 1.241 3.218 4.058 1.00 0.00 C ATOM 393 CG1 VAL A 30 1.188 1.704 4.182 1.00 0.00 C ATOM 394 CG2 VAL A 30 2.255 3.640 3.006 1.00 0.00 C ATOM 0 H VAL A 30 0.683 5.700 3.858 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.532 3.283 2.831 1.00 0.00 H new ATOM 0 HB VAL A 30 1.557 3.626 5.018 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.181 1.323 4.420 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.494 1.428 4.976 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.850 1.273 3.239 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.233 3.232 3.259 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.946 3.263 2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.313 4.728 2.973 1.00 0.00 H new ATOM 404 N ARG A 31 -1.950 2.511 4.738 1.00 0.00 N ATOM 405 CA ARG A 31 -2.903 2.153 5.783 1.00 0.00 C ATOM 406 C ARG A 31 -2.687 0.716 6.249 1.00 0.00 C ATOM 407 O ARG A 31 -2.665 0.439 7.448 1.00 0.00 O ATOM 408 CB ARG A 31 -4.336 2.326 5.276 1.00 0.00 C ATOM 409 CG ARG A 31 -4.633 3.723 4.757 1.00 0.00 C ATOM 410 CD ARG A 31 -5.106 4.643 5.872 1.00 0.00 C ATOM 411 NE ARG A 31 -6.350 4.173 6.477 1.00 0.00 N ATOM 412 CZ ARG A 31 -7.093 4.904 7.307 1.00 0.00 C ATOM 413 NH1 ARG A 31 -6.721 6.135 7.632 1.00 0.00 N ATOM 414 NH2 ARG A 31 -8.211 4.400 7.811 1.00 0.00 N ATOM 0 H ARG A 31 -2.004 1.931 3.901 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.741 2.819 6.631 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.520 1.605 4.480 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.029 2.093 6.084 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.737 4.139 4.296 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.396 3.669 3.980 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.333 4.712 6.638 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.252 5.648 5.476 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.668 3.231 6.251 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.862 6.527 7.246 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.294 6.690 8.268 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.501 3.454 7.563 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.781 4.958 8.447 1.00 0.00 H new ATOM 428 N TYR A 32 -2.528 -0.194 5.293 1.00 0.00 N ATOM 429 CA TYR A 32 -2.313 -1.602 5.606 1.00 0.00 C ATOM 430 C TYR A 32 -1.133 -2.161 4.819 1.00 0.00 C ATOM 431 O TYR A 32 -0.893 -1.769 3.677 1.00 0.00 O ATOM 432 CB TYR A 32 -3.574 -2.412 5.301 1.00 0.00 C ATOM 433 CG TYR A 32 -3.570 -3.794 5.914 1.00 0.00 C ATOM 434 CD1 TYR A 32 -3.636 -3.964 7.291 1.00 0.00 C ATOM 435 CD2 TYR A 32 -3.501 -4.929 5.115 1.00 0.00 C ATOM 436 CE1 TYR A 32 -3.633 -5.226 7.855 1.00 0.00 C ATOM 437 CE2 TYR A 32 -3.497 -6.193 5.671 1.00 0.00 C ATOM 438 CZ TYR A 32 -3.563 -6.337 7.040 1.00 0.00 C ATOM 439 OH TYR A 32 -3.559 -7.595 7.599 1.00 0.00 O ATOM 0 H TYR A 32 -2.544 0.019 4.296 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.087 -1.681 6.669 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.444 -1.865 5.665 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.684 -2.503 4.220 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.691 -3.096 7.931 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.450 -4.821 4.042 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.685 -5.342 8.928 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.442 -7.065 5.036 1.00 0.00 H new ATOM 0 HH TYR A 32 -3.507 -8.268 6.889 1.00 0.00 H new ATOM 449 N VAL A 33 -0.399 -3.081 5.437 1.00 0.00 N ATOM 450 CA VAL A 33 0.757 -3.695 4.796 1.00 0.00 C ATOM 451 C VAL A 33 0.906 -5.154 5.214 1.00 0.00 C ATOM 452 O VAL A 33 1.414 -5.451 6.295 1.00 0.00 O ATOM 453 CB VAL A 33 2.056 -2.940 5.134 1.00 0.00 C ATOM 454 CG1 VAL A 33 3.214 -3.469 4.301 1.00 0.00 C ATOM 455 CG2 VAL A 33 1.875 -1.445 4.922 1.00 0.00 C ATOM 0 H VAL A 33 -0.585 -3.417 6.382 1.00 0.00 H new ATOM 0 HA VAL A 33 0.586 -3.643 3.721 1.00 0.00 H new ATOM 0 HB VAL A 33 2.290 -3.108 6.185 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.123 -2.923 4.554 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.357 -4.529 4.509 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.992 -3.334 3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.803 -0.928 5.166 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.616 -1.254 3.881 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.076 -1.080 5.567 1.00 0.00 H new ATOM 465 N GLY A 34 0.460 -6.061 4.350 1.00 0.00 N ATOM 466 CA GLY A 34 0.553 -7.477 4.648 1.00 0.00 C ATOM 467 C GLY A 34 -0.063 -8.341 3.562 1.00 0.00 C ATOM 468 O GLY A 34 -0.285 -7.870 2.447 1.00 0.00 O ATOM 0 H GLY A 34 0.036 -5.840 3.449 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.601 -7.750 4.775 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.054 -7.679 5.596 1.00 0.00 H new ATOM 472 N PRO A 35 -0.353 -9.618 3.861 1.00 0.00 N ATOM 473 CA PRO A 35 -0.950 -10.541 2.890 1.00 0.00 C ATOM 474 C PRO A 35 -2.219 -9.977 2.259 1.00 0.00 C ATOM 475 O PRO A 35 -2.587 -8.828 2.502 1.00 0.00 O ATOM 476 CB PRO A 35 -1.274 -11.780 3.726 1.00 0.00 C ATOM 477 CG PRO A 35 -0.329 -11.723 4.875 1.00 0.00 C ATOM 478 CD PRO A 35 -0.122 -10.263 5.167 1.00 0.00 C ATOM 0 HA PRO A 35 -0.280 -10.740 2.054 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.310 -11.768 4.065 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.138 -12.694 3.148 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.738 -12.241 5.743 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.615 -12.210 4.629 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.819 -9.901 5.923 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.883 -10.066 5.540 1.00 0.00 H new ATOM 486 N THR A 36 -2.883 -10.793 1.448 1.00 0.00 N ATOM 487 CA THR A 36 -4.111 -10.377 0.782 1.00 0.00 C ATOM 488 C THR A 36 -5.059 -11.558 0.598 1.00 0.00 C ATOM 489 O THR A 36 -4.692 -12.706 0.853 1.00 0.00 O ATOM 490 CB THR A 36 -3.792 -9.749 -0.576 1.00 0.00 C ATOM 491 OG1 THR A 36 -2.617 -10.316 -1.127 1.00 0.00 O ATOM 492 CG2 THR A 36 -3.591 -8.250 -0.510 1.00 0.00 C ATOM 0 H THR A 36 -2.591 -11.747 1.236 1.00 0.00 H new ATOM 0 HA THR A 36 -4.602 -9.635 1.412 1.00 0.00 H new ATOM 0 HB THR A 36 -4.661 -9.956 -1.201 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.329 -9.786 -1.899 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.368 -7.869 -1.506 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.499 -7.777 -0.135 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.761 -8.023 0.159 1.00 0.00 H new ATOM 500 N ASP A 37 -6.278 -11.270 0.155 1.00 0.00 N ATOM 501 CA ASP A 37 -7.277 -12.310 -0.061 1.00 0.00 C ATOM 502 C ASP A 37 -7.500 -12.550 -1.551 1.00 0.00 C ATOM 503 O ASP A 37 -7.349 -13.671 -2.039 1.00 0.00 O ATOM 504 CB ASP A 37 -8.598 -11.925 0.609 1.00 0.00 C ATOM 505 CG ASP A 37 -9.263 -13.103 1.293 1.00 0.00 C ATOM 506 OD1 ASP A 37 -8.980 -13.332 2.488 1.00 0.00 O ATOM 507 OD2 ASP A 37 -10.066 -13.796 0.635 1.00 0.00 O ATOM 0 H ASP A 37 -6.598 -10.326 -0.061 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.906 -13.233 0.386 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.415 -11.139 1.341 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.275 -11.513 -0.139 1.00 0.00 H new ATOM 512 N PHE A 38 -7.860 -11.491 -2.269 1.00 0.00 N ATOM 513 CA PHE A 38 -8.103 -11.588 -3.704 1.00 0.00 C ATOM 514 C PHE A 38 -6.845 -12.037 -4.440 1.00 0.00 C ATOM 515 O PHE A 38 -6.918 -12.778 -5.421 1.00 0.00 O ATOM 516 CB PHE A 38 -8.577 -10.242 -4.255 1.00 0.00 C ATOM 517 CG PHE A 38 -7.559 -9.145 -4.120 1.00 0.00 C ATOM 518 CD1 PHE A 38 -7.453 -8.422 -2.942 1.00 0.00 C ATOM 519 CD2 PHE A 38 -6.711 -8.837 -5.171 1.00 0.00 C ATOM 520 CE1 PHE A 38 -6.518 -7.413 -2.815 1.00 0.00 C ATOM 521 CE2 PHE A 38 -5.774 -7.827 -5.050 1.00 0.00 C ATOM 522 CZ PHE A 38 -5.677 -7.115 -3.870 1.00 0.00 C ATOM 0 H PHE A 38 -7.990 -10.557 -1.881 1.00 0.00 H new ATOM 0 HA PHE A 38 -8.882 -12.333 -3.865 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.834 -10.360 -5.308 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.488 -9.947 -3.735 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -8.109 -8.650 -2.115 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.782 -9.392 -6.095 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.444 -6.858 -1.892 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.119 -7.595 -5.877 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.945 -6.327 -3.772 1.00 0.00 H new ATOM 532 N ALA A 39 -5.692 -11.584 -3.959 1.00 0.00 N ATOM 533 CA ALA A 39 -4.417 -11.939 -4.570 1.00 0.00 C ATOM 534 C ALA A 39 -3.444 -12.484 -3.531 1.00 0.00 C ATOM 535 O ALA A 39 -3.820 -12.741 -2.388 1.00 0.00 O ATOM 536 CB ALA A 39 -3.817 -10.733 -5.278 1.00 0.00 C ATOM 0 H ALA A 39 -5.615 -10.970 -3.148 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.600 -12.723 -5.305 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.865 -11.013 -5.730 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.500 -10.390 -6.055 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.655 -9.931 -4.557 1.00 0.00 H new ATOM 542 N SER A 40 -2.189 -12.658 -3.936 1.00 0.00 N ATOM 543 CA SER A 40 -1.161 -13.172 -3.039 1.00 0.00 C ATOM 544 C SER A 40 0.009 -12.198 -2.936 1.00 0.00 C ATOM 545 O SER A 40 -0.017 -11.118 -3.525 1.00 0.00 O ATOM 546 CB SER A 40 -0.664 -14.534 -3.527 1.00 0.00 C ATOM 547 OG SER A 40 -0.801 -14.654 -4.932 1.00 0.00 O ATOM 0 H SER A 40 -1.861 -12.450 -4.879 1.00 0.00 H new ATOM 0 HA SER A 40 -1.603 -13.287 -2.049 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.382 -14.664 -3.248 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.226 -15.327 -3.035 1.00 0.00 H new ATOM 0 HG SER A 40 -0.475 -15.533 -5.219 1.00 0.00 H new ATOM 553 N GLY A 41 1.034 -12.589 -2.185 1.00 0.00 N ATOM 554 CA GLY A 41 2.198 -11.739 -2.019 1.00 0.00 C ATOM 555 C GLY A 41 1.991 -10.671 -0.963 1.00 0.00 C ATOM 556 O GLY A 41 1.407 -10.935 0.089 1.00 0.00 O ATOM 0 H GLY A 41 1.079 -13.479 -1.689 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.056 -12.353 -1.747 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.435 -11.263 -2.971 1.00 0.00 H new ATOM 560 N ILE A 42 2.471 -9.464 -1.242 1.00 0.00 N ATOM 561 CA ILE A 42 2.335 -8.354 -0.307 1.00 0.00 C ATOM 562 C ILE A 42 1.803 -7.108 -1.008 1.00 0.00 C ATOM 563 O ILE A 42 2.262 -6.748 -2.091 1.00 0.00 O ATOM 564 CB ILE A 42 3.679 -8.016 0.364 1.00 0.00 C ATOM 565 CG1 ILE A 42 4.340 -9.285 0.902 1.00 0.00 C ATOM 566 CG2 ILE A 42 3.474 -7.004 1.481 1.00 0.00 C ATOM 567 CD1 ILE A 42 5.696 -9.042 1.529 1.00 0.00 C ATOM 0 H ILE A 42 2.957 -9.230 -2.107 1.00 0.00 H new ATOM 0 HA ILE A 42 1.625 -8.670 0.458 1.00 0.00 H new ATOM 0 HB ILE A 42 4.339 -7.575 -0.383 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.683 -9.741 1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.448 -10.001 0.088 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.433 -6.775 1.945 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.043 -6.091 1.070 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.799 -7.419 2.229 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.105 -9.986 1.889 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.369 -8.614 0.786 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.592 -8.350 2.365 1.00 0.00 H new ATOM 579 N TRP A 43 0.831 -6.453 -0.381 1.00 0.00 N ATOM 580 CA TRP A 43 0.236 -5.246 -0.944 1.00 0.00 C ATOM 581 C TRP A 43 0.168 -4.136 0.099 1.00 0.00 C ATOM 582 O TRP A 43 0.354 -4.379 1.292 1.00 0.00 O ATOM 583 CB TRP A 43 -1.166 -5.547 -1.479 1.00 0.00 C ATOM 584 CG TRP A 43 -1.176 -6.554 -2.587 1.00 0.00 C ATOM 585 CD1 TRP A 43 -1.211 -7.913 -2.460 1.00 0.00 C ATOM 586 CD2 TRP A 43 -1.149 -6.282 -3.994 1.00 0.00 C ATOM 587 NE1 TRP A 43 -1.207 -8.503 -3.701 1.00 0.00 N ATOM 588 CE2 TRP A 43 -1.170 -7.523 -4.659 1.00 0.00 C ATOM 589 CE3 TRP A 43 -1.110 -5.110 -4.755 1.00 0.00 C ATOM 590 CZ2 TRP A 43 -1.154 -7.624 -6.047 1.00 0.00 C ATOM 591 CZ3 TRP A 43 -1.094 -5.212 -6.134 1.00 0.00 C ATOM 592 CH2 TRP A 43 -1.115 -6.461 -6.767 1.00 0.00 C ATOM 0 H TRP A 43 0.439 -6.738 0.517 1.00 0.00 H new ATOM 0 HA TRP A 43 0.867 -4.908 -1.766 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.788 -5.911 -0.662 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.617 -4.621 -1.835 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.238 -8.446 -1.521 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -1.228 -9.507 -3.880 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.093 -4.143 -4.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.172 -8.586 -6.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.065 -4.314 -6.733 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.100 -6.507 -7.846 1.00 0.00 H new ATOM 603 N LEU A 44 -0.099 -2.917 -0.357 1.00 0.00 N ATOM 604 CA LEU A 44 -0.191 -1.769 0.536 1.00 0.00 C ATOM 605 C LEU A 44 -1.539 -1.071 0.388 1.00 0.00 C ATOM 606 O LEU A 44 -1.868 -0.556 -0.681 1.00 0.00 O ATOM 607 CB LEU A 44 0.942 -0.782 0.251 1.00 0.00 C ATOM 608 CG LEU A 44 2.329 -1.411 0.113 1.00 0.00 C ATOM 609 CD1 LEU A 44 3.365 -0.350 -0.221 1.00 0.00 C ATOM 610 CD2 LEU A 44 2.708 -2.146 1.390 1.00 0.00 C ATOM 0 H LEU A 44 -0.256 -2.699 -1.341 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.100 -2.129 1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.711 -0.243 -0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.972 -0.045 1.054 1.00 0.00 H new ATOM 0 HG LEU A 44 2.302 -2.132 -0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.346 -0.816 -0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.101 0.133 -1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.392 0.395 0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.698 -2.588 1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.718 -1.444 2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.980 -2.933 1.587 1.00 0.00 H new ATOM 622 N GLY A 45 -2.314 -1.056 1.468 1.00 0.00 N ATOM 623 CA GLY A 45 -3.616 -0.419 1.438 1.00 0.00 C ATOM 624 C GLY A 45 -3.521 1.093 1.377 1.00 0.00 C ATOM 625 O GLY A 45 -3.706 1.774 2.384 1.00 0.00 O ATOM 0 H GLY A 45 -2.062 -1.474 2.364 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.174 -0.780 0.574 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.179 -0.709 2.325 1.00 0.00 H new ATOM 629 N LEU A 46 -3.233 1.618 0.190 1.00 0.00 N ATOM 630 CA LEU A 46 -3.114 3.059 0.002 1.00 0.00 C ATOM 631 C LEU A 46 -4.474 3.739 0.128 1.00 0.00 C ATOM 632 O LEU A 46 -5.515 3.095 -0.002 1.00 0.00 O ATOM 633 CB LEU A 46 -2.503 3.368 -1.366 1.00 0.00 C ATOM 634 CG LEU A 46 -1.038 2.959 -1.528 1.00 0.00 C ATOM 635 CD1 LEU A 46 -0.546 3.281 -2.931 1.00 0.00 C ATOM 636 CD2 LEU A 46 -0.174 3.650 -0.485 1.00 0.00 C ATOM 0 H LEU A 46 -3.078 1.068 -0.655 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.459 3.448 0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.092 2.864 -2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.588 4.439 -1.552 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.962 1.882 -1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.498 2.983 -3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.147 2.739 -3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.636 4.352 -3.111 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.865 3.348 -0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.255 4.731 -0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.512 3.368 0.512 1.00 0.00 H new ATOM 648 N GLU A 47 -4.456 5.044 0.381 1.00 0.00 N ATOM 649 CA GLU A 47 -5.688 5.810 0.525 1.00 0.00 C ATOM 650 C GLU A 47 -5.514 7.225 -0.019 1.00 0.00 C ATOM 651 O GLU A 47 -4.900 8.076 0.622 1.00 0.00 O ATOM 652 CB GLU A 47 -6.111 5.865 1.995 1.00 0.00 C ATOM 653 CG GLU A 47 -7.610 6.029 2.189 1.00 0.00 C ATOM 654 CD GLU A 47 -7.953 7.127 3.176 1.00 0.00 C ATOM 655 OE1 GLU A 47 -7.174 8.098 3.280 1.00 0.00 O ATOM 656 OE2 GLU A 47 -9.002 7.016 3.847 1.00 0.00 O ATOM 0 H GLU A 47 -3.603 5.592 0.490 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.467 5.311 -0.051 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.786 4.951 2.493 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.597 6.694 2.482 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.075 6.251 1.228 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.033 5.087 2.538 1.00 0.00 H new ATOM 663 N LEU A 48 -6.059 7.465 -1.208 1.00 0.00 N ATOM 664 CA LEU A 48 -5.964 8.776 -1.840 1.00 0.00 C ATOM 665 C LEU A 48 -7.003 9.735 -1.269 1.00 0.00 C ATOM 666 O LEU A 48 -7.960 9.315 -0.619 1.00 0.00 O ATOM 667 CB LEU A 48 -6.147 8.649 -3.354 1.00 0.00 C ATOM 668 CG LEU A 48 -5.211 7.652 -4.038 1.00 0.00 C ATOM 669 CD1 LEU A 48 -5.686 7.357 -5.452 1.00 0.00 C ATOM 670 CD2 LEU A 48 -3.786 8.184 -4.052 1.00 0.00 C ATOM 0 H LEU A 48 -6.570 6.770 -1.752 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.973 9.180 -1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.177 8.355 -3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.001 9.630 -3.806 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.225 6.721 -3.471 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.007 6.646 -5.923 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.690 6.933 -5.418 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.702 8.281 -6.031 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.133 7.462 -4.542 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.756 9.128 -4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.447 8.343 -3.028 1.00 0.00 H new ATOM 682 N ARG A 49 -6.806 11.026 -1.517 1.00 0.00 N ATOM 683 CA ARG A 49 -7.726 12.048 -1.028 1.00 0.00 C ATOM 684 C ARG A 49 -8.661 12.514 -2.140 1.00 0.00 C ATOM 685 O ARG A 49 -9.091 13.667 -2.160 1.00 0.00 O ATOM 686 CB ARG A 49 -6.946 13.238 -0.465 1.00 0.00 C ATOM 687 CG ARG A 49 -6.763 13.186 1.043 1.00 0.00 C ATOM 688 CD ARG A 49 -5.376 12.687 1.419 1.00 0.00 C ATOM 689 NE ARG A 49 -4.408 13.778 1.509 1.00 0.00 N ATOM 690 CZ ARG A 49 -4.382 14.665 2.500 1.00 0.00 C ATOM 691 NH1 ARG A 49 -5.266 14.595 3.487 1.00 0.00 N ATOM 692 NH2 ARG A 49 -3.468 15.627 2.505 1.00 0.00 N ATOM 0 H ARG A 49 -6.018 11.390 -2.053 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.329 11.610 -0.232 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.966 13.277 -0.941 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.465 14.160 -0.728 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.920 14.179 1.464 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.517 12.531 1.480 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.425 12.166 2.375 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.038 11.963 0.678 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.712 13.864 0.769 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.971 13.858 3.489 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.241 15.278 4.244 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.786 15.686 1.749 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.448 16.307 3.265 1.00 0.00 H new ATOM 706 N SER A 50 -8.972 11.611 -3.063 1.00 0.00 N ATOM 707 CA SER A 50 -9.856 11.930 -4.177 1.00 0.00 C ATOM 708 C SER A 50 -10.232 10.672 -4.954 1.00 0.00 C ATOM 709 O SER A 50 -9.494 9.687 -4.953 1.00 0.00 O ATOM 710 CB SER A 50 -9.188 12.939 -5.113 1.00 0.00 C ATOM 711 OG SER A 50 -7.800 12.680 -5.236 1.00 0.00 O ATOM 0 H SER A 50 -8.625 10.652 -3.062 1.00 0.00 H new ATOM 0 HA SER A 50 -10.767 12.369 -3.769 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.658 12.895 -6.096 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.340 13.949 -4.732 1.00 0.00 H new ATOM 0 HG SER A 50 -7.369 13.423 -5.707 1.00 0.00 H new ATOM 717 N ALA A 51 -11.383 10.713 -5.617 1.00 0.00 N ATOM 718 CA ALA A 51 -11.856 9.577 -6.398 1.00 0.00 C ATOM 719 C ALA A 51 -10.926 9.294 -7.572 1.00 0.00 C ATOM 720 O ALA A 51 -11.146 9.779 -8.683 1.00 0.00 O ATOM 721 CB ALA A 51 -13.272 9.830 -6.893 1.00 0.00 C ATOM 0 H ALA A 51 -12.005 11.521 -5.629 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.860 8.699 -5.752 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.613 8.973 -7.475 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.935 9.976 -6.040 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -13.285 10.722 -7.519 1.00 0.00 H new ATOM 727 N LYS A 52 -9.885 8.505 -7.321 1.00 0.00 N ATOM 728 CA LYS A 52 -8.921 8.159 -8.358 1.00 0.00 C ATOM 729 C LYS A 52 -8.375 6.750 -8.143 1.00 0.00 C ATOM 730 O LYS A 52 -7.224 6.464 -8.471 1.00 0.00 O ATOM 731 CB LYS A 52 -7.773 9.172 -8.374 1.00 0.00 C ATOM 732 CG LYS A 52 -7.620 9.894 -9.703 1.00 0.00 C ATOM 733 CD LYS A 52 -6.474 10.893 -9.667 1.00 0.00 C ATOM 734 CE LYS A 52 -6.983 12.327 -9.651 1.00 0.00 C ATOM 735 NZ LYS A 52 -7.594 12.685 -8.341 1.00 0.00 N ATOM 0 H LYS A 52 -9.689 8.094 -6.408 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.431 8.187 -9.321 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.937 9.908 -7.587 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.841 8.657 -8.140 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.445 9.166 -10.495 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.548 10.412 -9.946 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.861 10.714 -8.783 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.832 10.743 -10.535 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.159 13.007 -9.865 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.720 12.460 -10.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.928 13.669 -8.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.397 12.053 -8.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.884 12.583 -7.588 1.00 0.00 H new ATOM 749 N GLY A 53 -9.209 5.875 -7.590 1.00 0.00 N ATOM 750 CA GLY A 53 -8.791 4.507 -7.341 1.00 0.00 C ATOM 751 C GLY A 53 -9.691 3.494 -8.019 1.00 0.00 C ATOM 752 O GLY A 53 -10.146 3.711 -9.142 1.00 0.00 O ATOM 0 H GLY A 53 -10.166 6.088 -7.310 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.768 4.373 -7.693 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.785 4.322 -6.267 1.00 0.00 H new ATOM 756 N LYS A 54 -9.949 2.384 -7.336 1.00 0.00 N ATOM 757 CA LYS A 54 -10.801 1.332 -7.879 1.00 0.00 C ATOM 758 C LYS A 54 -11.483 0.552 -6.761 1.00 0.00 C ATOM 759 O LYS A 54 -12.689 0.308 -6.806 1.00 0.00 O ATOM 760 CB LYS A 54 -9.980 0.382 -8.754 1.00 0.00 C ATOM 761 CG LYS A 54 -9.870 0.830 -10.202 1.00 0.00 C ATOM 762 CD LYS A 54 -9.327 -0.278 -11.089 1.00 0.00 C ATOM 763 CE LYS A 54 -9.396 0.100 -12.560 1.00 0.00 C ATOM 764 NZ LYS A 54 -8.073 0.540 -13.083 1.00 0.00 N ATOM 0 H LYS A 54 -9.580 2.189 -6.405 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.571 1.803 -8.490 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.978 0.289 -8.334 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.432 -0.609 -8.723 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.851 1.139 -10.564 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.218 1.701 -10.266 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.294 -0.491 -10.815 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.896 -1.192 -10.920 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.749 -0.754 -13.138 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.124 0.900 -12.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.163 0.789 -14.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.747 1.371 -12.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.384 -0.232 -12.977 1.00 0.00 H new ATOM 778 N ASN A 55 -10.703 0.163 -5.757 1.00 0.00 N ATOM 779 CA ASN A 55 -11.232 -0.589 -4.625 1.00 0.00 C ATOM 780 C ASN A 55 -12.124 0.291 -3.756 1.00 0.00 C ATOM 781 O ASN A 55 -11.903 1.497 -3.644 1.00 0.00 O ATOM 782 CB ASN A 55 -10.088 -1.161 -3.786 1.00 0.00 C ATOM 783 CG ASN A 55 -9.444 -2.371 -4.435 1.00 0.00 C ATOM 784 OD1 ASN A 55 -10.019 -3.459 -4.456 1.00 0.00 O ATOM 785 ND2 ASN A 55 -8.242 -2.186 -4.968 1.00 0.00 N ATOM 0 H ASN A 55 -9.703 0.356 -5.705 1.00 0.00 H new ATOM 0 HA ASN A 55 -11.833 -1.410 -5.016 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.333 -0.390 -3.632 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.466 -1.438 -2.802 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.758 -2.963 -5.418 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.802 -1.267 -4.928 1.00 0.00 H new ATOM 792 N ASP A 56 -13.133 -0.320 -3.143 1.00 0.00 N ATOM 793 CA ASP A 56 -14.058 0.409 -2.283 1.00 0.00 C ATOM 794 C ASP A 56 -13.689 0.237 -0.812 1.00 0.00 C ATOM 795 O ASP A 56 -14.547 0.323 0.067 1.00 0.00 O ATOM 796 CB ASP A 56 -15.492 -0.071 -2.521 1.00 0.00 C ATOM 797 CG ASP A 56 -16.518 0.795 -1.817 1.00 0.00 C ATOM 798 OD1 ASP A 56 -16.938 1.814 -2.403 1.00 0.00 O ATOM 799 OD2 ASP A 56 -16.904 0.452 -0.679 1.00 0.00 O ATOM 0 H ASP A 56 -13.331 -1.317 -3.226 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.989 1.468 -2.533 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.698 -0.075 -3.591 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.590 -1.100 -2.174 1.00 0.00 H new ATOM 804 N GLY A 57 -12.409 -0.008 -0.551 1.00 0.00 N ATOM 805 CA GLY A 57 -11.954 -0.188 0.815 1.00 0.00 C ATOM 806 C GLY A 57 -11.939 -1.645 1.234 1.00 0.00 C ATOM 807 O GLY A 57 -10.999 -2.099 1.888 1.00 0.00 O ATOM 0 H GLY A 57 -11.680 -0.085 -1.260 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -10.951 0.227 0.918 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -12.602 0.374 1.488 1.00 0.00 H new ATOM 811 N ALA A 58 -12.981 -2.379 0.860 1.00 0.00 N ATOM 812 CA ALA A 58 -13.085 -3.792 1.202 1.00 0.00 C ATOM 813 C ALA A 58 -13.023 -4.667 -0.045 1.00 0.00 C ATOM 814 O ALA A 58 -13.935 -4.650 -0.873 1.00 0.00 O ATOM 815 CB ALA A 58 -14.369 -4.055 1.971 1.00 0.00 C ATOM 0 H ALA A 58 -13.767 -2.018 0.319 1.00 0.00 H new ATOM 0 HA ALA A 58 -12.236 -4.050 1.835 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -14.434 -5.114 2.220 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -14.371 -3.466 2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.225 -3.774 1.357 1.00 0.00 H new ATOM 821 N VAL A 59 -11.943 -5.431 -0.173 1.00 0.00 N ATOM 822 CA VAL A 59 -11.763 -6.314 -1.319 1.00 0.00 C ATOM 823 C VAL A 59 -12.171 -7.744 -0.979 1.00 0.00 C ATOM 824 O VAL A 59 -11.462 -8.446 -0.257 1.00 0.00 O ATOM 825 CB VAL A 59 -10.302 -6.311 -1.807 1.00 0.00 C ATOM 826 CG1 VAL A 59 -10.174 -7.075 -3.116 1.00 0.00 C ATOM 827 CG2 VAL A 59 -9.793 -4.886 -1.961 1.00 0.00 C ATOM 0 H VAL A 59 -11.179 -5.456 0.503 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.404 -5.935 -2.115 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.688 -6.813 -1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.135 -7.062 -3.445 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.495 -8.106 -2.968 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.800 -6.605 -3.874 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.759 -4.904 -2.306 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.409 -4.356 -2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.845 -4.375 -1.000 1.00 0.00 H new ATOM 837 N GLY A 60 -13.315 -8.168 -1.504 1.00 0.00 N ATOM 838 CA GLY A 60 -13.796 -9.513 -1.245 1.00 0.00 C ATOM 839 C GLY A 60 -14.460 -9.638 0.112 1.00 0.00 C ATOM 840 O GLY A 60 -15.463 -8.977 0.384 1.00 0.00 O ATOM 0 H GLY A 60 -13.918 -7.605 -2.104 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.506 -9.798 -2.021 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.962 -10.212 -1.304 1.00 0.00 H new ATOM 844 N ASP A 61 -13.901 -10.488 0.967 1.00 0.00 N ATOM 845 CA ASP A 61 -14.445 -10.698 2.303 1.00 0.00 C ATOM 846 C ASP A 61 -13.552 -10.059 3.362 1.00 0.00 C ATOM 847 O ASP A 61 -13.489 -10.527 4.499 1.00 0.00 O ATOM 848 CB ASP A 61 -14.601 -12.194 2.585 1.00 0.00 C ATOM 849 CG ASP A 61 -13.324 -12.968 2.322 1.00 0.00 C ATOM 850 OD1 ASP A 61 -12.952 -13.113 1.138 1.00 0.00 O ATOM 851 OD2 ASP A 61 -12.696 -13.429 3.298 1.00 0.00 O ATOM 0 H ASP A 61 -13.071 -11.043 0.758 1.00 0.00 H new ATOM 0 HA ASP A 61 -15.425 -10.223 2.347 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -14.901 -12.336 3.623 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -15.401 -12.597 1.964 1.00 0.00 H new ATOM 856 N LYS A 62 -12.863 -8.987 2.981 1.00 0.00 N ATOM 857 CA LYS A 62 -11.974 -8.285 3.898 1.00 0.00 C ATOM 858 C LYS A 62 -11.699 -6.866 3.408 1.00 0.00 C ATOM 859 O LYS A 62 -12.204 -6.451 2.365 1.00 0.00 O ATOM 860 CB LYS A 62 -10.659 -9.052 4.054 1.00 0.00 C ATOM 861 CG LYS A 62 -10.404 -9.541 5.472 1.00 0.00 C ATOM 862 CD LYS A 62 -9.061 -9.062 5.998 1.00 0.00 C ATOM 863 CE LYS A 62 -9.116 -8.774 7.488 1.00 0.00 C ATOM 864 NZ LYS A 62 -7.872 -8.115 7.974 1.00 0.00 N ATOM 0 H LYS A 62 -12.904 -8.587 2.044 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.466 -8.224 4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.665 -9.908 3.379 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.834 -8.409 3.746 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.199 -9.187 6.128 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.436 -10.630 5.493 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.301 -9.818 5.801 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.760 -8.161 5.463 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.973 -8.135 7.703 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.269 -9.706 8.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.950 -7.936 8.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.057 -8.735 7.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.739 -7.213 7.474 1.00 0.00 H new ATOM 878 N ARG A 63 -10.897 -6.128 4.168 1.00 0.00 N ATOM 879 CA ARG A 63 -10.557 -4.755 3.809 1.00 0.00 C ATOM 880 C ARG A 63 -9.130 -4.419 4.229 1.00 0.00 C ATOM 881 O ARG A 63 -8.585 -5.023 5.152 1.00 0.00 O ATOM 882 CB ARG A 63 -11.536 -3.777 4.462 1.00 0.00 C ATOM 883 CG ARG A 63 -11.641 -3.939 5.970 1.00 0.00 C ATOM 884 CD ARG A 63 -13.060 -4.274 6.402 1.00 0.00 C ATOM 885 NE ARG A 63 -13.088 -5.010 7.663 1.00 0.00 N ATOM 886 CZ ARG A 63 -14.169 -5.125 8.432 1.00 0.00 C ATOM 887 NH1 ARG A 63 -15.311 -4.551 8.072 1.00 0.00 N ATOM 888 NH2 ARG A 63 -14.108 -5.814 9.563 1.00 0.00 N ATOM 0 H ARG A 63 -10.471 -6.456 5.035 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.629 -4.662 2.725 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.224 -2.758 4.235 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -12.523 -3.914 4.020 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.965 -4.728 6.299 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.320 -3.019 6.458 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -13.634 -3.353 6.507 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -13.545 -4.866 5.626 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.228 -5.463 7.973 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -15.363 -4.019 7.203 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -16.136 -4.642 8.664 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.233 -6.256 9.844 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -14.936 -5.902 10.152 1.00 0.00 H new ATOM 902 N TYR A 64 -8.530 -3.452 3.542 1.00 0.00 N ATOM 903 CA TYR A 64 -7.164 -3.034 3.842 1.00 0.00 C ATOM 904 C TYR A 64 -7.085 -1.531 4.108 1.00 0.00 C ATOM 905 O TYR A 64 -6.002 -0.994 4.344 1.00 0.00 O ATOM 906 CB TYR A 64 -6.233 -3.407 2.687 1.00 0.00 C ATOM 907 CG TYR A 64 -6.440 -4.812 2.170 1.00 0.00 C ATOM 908 CD1 TYR A 64 -5.987 -5.912 2.887 1.00 0.00 C ATOM 909 CD2 TYR A 64 -7.091 -5.040 0.963 1.00 0.00 C ATOM 910 CE1 TYR A 64 -6.175 -7.198 2.417 1.00 0.00 C ATOM 911 CE2 TYR A 64 -7.284 -6.322 0.487 1.00 0.00 C ATOM 912 CZ TYR A 64 -6.823 -7.397 1.217 1.00 0.00 C ATOM 913 OH TYR A 64 -7.012 -8.676 0.746 1.00 0.00 O ATOM 0 H TYR A 64 -8.968 -2.943 2.774 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.847 -3.555 4.746 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.383 -2.702 1.869 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -5.199 -3.299 3.016 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.479 -5.760 3.828 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -7.452 -4.200 0.388 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -5.816 -8.042 2.987 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.793 -6.482 -0.452 1.00 0.00 H new ATOM 0 HH TYR A 64 -7.486 -8.642 -0.111 1.00 0.00 H new ATOM 923 N PHE A 65 -8.230 -0.854 4.068 1.00 0.00 N ATOM 924 CA PHE A 65 -8.273 0.585 4.306 1.00 0.00 C ATOM 925 C PHE A 65 -9.709 1.099 4.281 1.00 0.00 C ATOM 926 O PHE A 65 -10.605 0.443 3.750 1.00 0.00 O ATOM 927 CB PHE A 65 -7.435 1.322 3.260 1.00 0.00 C ATOM 928 CG PHE A 65 -7.670 0.845 1.855 1.00 0.00 C ATOM 929 CD1 PHE A 65 -6.926 -0.200 1.331 1.00 0.00 C ATOM 930 CD2 PHE A 65 -8.634 1.441 1.058 1.00 0.00 C ATOM 931 CE1 PHE A 65 -7.138 -0.642 0.039 1.00 0.00 C ATOM 932 CE2 PHE A 65 -8.851 1.004 -0.236 1.00 0.00 C ATOM 933 CZ PHE A 65 -8.102 -0.039 -0.745 1.00 0.00 C ATOM 0 H PHE A 65 -9.137 -1.278 3.874 1.00 0.00 H new ATOM 0 HA PHE A 65 -7.856 0.777 5.295 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.657 2.388 3.315 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.379 1.203 3.503 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.171 -0.675 1.940 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.223 2.256 1.452 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.551 -1.457 -0.357 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.605 1.477 -0.848 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.270 -0.383 -1.755 1.00 0.00 H new ATOM 943 N THR A 66 -9.920 2.277 4.859 1.00 0.00 N ATOM 944 CA THR A 66 -11.247 2.882 4.904 1.00 0.00 C ATOM 945 C THR A 66 -11.279 4.180 4.105 1.00 0.00 C ATOM 946 O THR A 66 -10.502 5.099 4.364 1.00 0.00 O ATOM 947 CB THR A 66 -11.659 3.152 6.352 1.00 0.00 C ATOM 948 OG1 THR A 66 -11.186 2.125 7.207 1.00 0.00 O ATOM 949 CG2 THR A 66 -13.157 3.252 6.540 1.00 0.00 C ATOM 0 H THR A 66 -9.189 2.832 5.303 1.00 0.00 H new ATOM 0 HA THR A 66 -11.953 2.182 4.457 1.00 0.00 H new ATOM 0 HB THR A 66 -11.213 4.114 6.605 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.458 2.316 8.129 1.00 0.00 H new ATOM 0 HG21 THR A 66 -13.380 3.444 7.589 1.00 0.00 H new ATOM 0 HG22 THR A 66 -13.546 4.068 5.931 1.00 0.00 H new ATOM 0 HG23 THR A 66 -13.625 2.316 6.235 1.00 0.00 H new ATOM 957 N CYS A 67 -12.182 4.248 3.131 1.00 0.00 N ATOM 958 CA CYS A 67 -12.313 5.435 2.294 1.00 0.00 C ATOM 959 C CYS A 67 -13.587 5.375 1.457 1.00 0.00 C ATOM 960 O CYS A 67 -14.375 4.436 1.574 1.00 0.00 O ATOM 961 CB CYS A 67 -11.095 5.577 1.380 1.00 0.00 C ATOM 962 SG CYS A 67 -10.783 4.133 0.336 1.00 0.00 S ATOM 0 H CYS A 67 -12.832 3.496 2.903 1.00 0.00 H new ATOM 0 HA CYS A 67 -12.371 6.305 2.949 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -11.233 6.450 0.742 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -10.214 5.766 1.993 1.00 0.00 H new ATOM 0 HG CYS A 67 -9.504 3.911 0.274 1.00 0.00 H new ATOM 968 N LYS A 68 -13.782 6.382 0.612 1.00 0.00 N ATOM 969 CA LYS A 68 -14.959 6.446 -0.246 1.00 0.00 C ATOM 970 C LYS A 68 -14.779 5.567 -1.482 1.00 0.00 C ATOM 971 O LYS A 68 -13.680 5.090 -1.760 1.00 0.00 O ATOM 972 CB LYS A 68 -15.231 7.892 -0.667 1.00 0.00 C ATOM 973 CG LYS A 68 -16.245 8.603 0.215 1.00 0.00 C ATOM 974 CD LYS A 68 -17.529 8.909 -0.542 1.00 0.00 C ATOM 975 CE LYS A 68 -18.075 10.282 -0.182 1.00 0.00 C ATOM 976 NZ LYS A 68 -18.658 10.976 -1.364 1.00 0.00 N ATOM 0 H LYS A 68 -13.139 7.166 0.503 1.00 0.00 H new ATOM 0 HA LYS A 68 -15.813 6.074 0.320 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.294 8.449 -0.650 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -15.589 7.901 -1.697 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.472 7.983 1.082 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -15.814 9.531 0.591 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -17.340 8.861 -1.614 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -18.276 8.148 -0.315 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -18.837 10.178 0.590 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -17.275 10.892 0.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -19.019 11.908 -1.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -17.925 11.098 -2.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -19.438 10.407 -1.751 1.00 0.00 H new ATOM 990 N PRO A 69 -15.864 5.343 -2.245 1.00 0.00 N ATOM 991 CA PRO A 69 -15.818 4.517 -3.456 1.00 0.00 C ATOM 992 C PRO A 69 -14.718 4.957 -4.416 1.00 0.00 C ATOM 993 O PRO A 69 -14.701 6.100 -4.875 1.00 0.00 O ATOM 994 CB PRO A 69 -17.196 4.732 -4.087 1.00 0.00 C ATOM 995 CG PRO A 69 -18.079 5.103 -2.947 1.00 0.00 C ATOM 996 CD PRO A 69 -17.215 5.873 -1.987 1.00 0.00 C ATOM 0 HA PRO A 69 -15.597 3.474 -3.229 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -17.169 5.520 -4.840 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -17.549 3.829 -4.584 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -18.920 5.708 -3.286 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -18.496 4.215 -2.471 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -17.268 6.946 -2.171 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -17.520 5.711 -0.953 1.00 0.00 H new ATOM 1004 N ASN A 70 -13.801 4.043 -4.715 1.00 0.00 N ATOM 1005 CA ASN A 70 -12.695 4.335 -5.622 1.00 0.00 C ATOM 1006 C ASN A 70 -11.817 5.454 -5.070 1.00 0.00 C ATOM 1007 O ASN A 70 -11.624 6.484 -5.716 1.00 0.00 O ATOM 1008 CB ASN A 70 -13.228 4.719 -7.005 1.00 0.00 C ATOM 1009 CG ASN A 70 -13.688 3.516 -7.803 1.00 0.00 C ATOM 1010 OD1 ASN A 70 -13.906 2.436 -7.251 1.00 0.00 O ATOM 1011 ND2 ASN A 70 -13.840 3.695 -9.109 1.00 0.00 N ATOM 0 H ASN A 70 -13.801 3.093 -4.343 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.087 3.435 -5.714 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -14.059 5.415 -6.890 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.449 5.242 -7.559 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.149 2.921 -9.697 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -13.648 4.607 -9.525 1.00 0.00 H new ATOM 1018 N TYR A 71 -11.284 5.244 -3.869 1.00 0.00 N ATOM 1019 CA TYR A 71 -10.423 6.234 -3.231 1.00 0.00 C ATOM 1020 C TYR A 71 -9.034 5.659 -2.975 1.00 0.00 C ATOM 1021 O TYR A 71 -8.024 6.286 -3.295 1.00 0.00 O ATOM 1022 CB TYR A 71 -11.042 6.706 -1.913 1.00 0.00 C ATOM 1023 CG TYR A 71 -11.947 7.907 -2.065 1.00 0.00 C ATOM 1024 CD1 TYR A 71 -12.957 7.924 -3.020 1.00 0.00 C ATOM 1025 CD2 TYR A 71 -11.793 9.025 -1.254 1.00 0.00 C ATOM 1026 CE1 TYR A 71 -13.786 9.020 -3.163 1.00 0.00 C ATOM 1027 CE2 TYR A 71 -12.618 10.124 -1.390 1.00 0.00 C ATOM 1028 CZ TYR A 71 -13.613 10.117 -2.346 1.00 0.00 C ATOM 1029 OH TYR A 71 -14.437 11.211 -2.484 1.00 0.00 O ATOM 0 H TYR A 71 -11.433 4.398 -3.319 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.328 7.085 -3.905 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.611 5.886 -1.474 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.243 6.950 -1.213 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -13.096 7.066 -3.661 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -11.015 9.034 -0.505 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.565 9.017 -3.911 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -12.485 10.985 -0.751 1.00 0.00 H new ATOM 0 HH TYR A 71 -14.182 11.897 -1.832 1.00 0.00 H new ATOM 1039 N GLY A 72 -8.991 4.463 -2.399 1.00 0.00 N ATOM 1040 CA GLY A 72 -7.722 3.822 -2.111 1.00 0.00 C ATOM 1041 C GLY A 72 -7.284 2.881 -3.215 1.00 0.00 C ATOM 1042 O GLY A 72 -8.034 2.629 -4.159 1.00 0.00 O ATOM 0 H GLY A 72 -9.814 3.925 -2.126 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.958 4.585 -1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.802 3.268 -1.176 1.00 0.00 H new ATOM 1046 N VAL A 73 -6.066 2.361 -3.100 1.00 0.00 N ATOM 1047 CA VAL A 73 -5.529 1.444 -4.097 1.00 0.00 C ATOM 1048 C VAL A 73 -4.503 0.501 -3.480 1.00 0.00 C ATOM 1049 O VAL A 73 -3.934 0.789 -2.427 1.00 0.00 O ATOM 1050 CB VAL A 73 -4.875 2.202 -5.266 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -5.930 2.898 -6.111 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -3.852 3.202 -4.747 1.00 0.00 C ATOM 0 H VAL A 73 -5.433 2.560 -2.326 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.370 0.864 -4.477 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.357 1.480 -5.898 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.447 3.428 -6.932 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.621 2.157 -6.514 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.480 3.609 -5.494 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.400 3.729 -5.587 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.345 3.920 -4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.078 2.674 -4.190 1.00 0.00 H new ATOM 1062 N LEU A 74 -4.269 -0.628 -4.142 1.00 0.00 N ATOM 1063 CA LEU A 74 -3.310 -1.614 -3.658 1.00 0.00 C ATOM 1064 C LEU A 74 -2.139 -1.753 -4.627 1.00 0.00 C ATOM 1065 O LEU A 74 -2.331 -2.021 -5.813 1.00 0.00 O ATOM 1066 CB LEU A 74 -3.991 -2.970 -3.466 1.00 0.00 C ATOM 1067 CG LEU A 74 -4.883 -3.077 -2.224 1.00 0.00 C ATOM 1068 CD1 LEU A 74 -6.311 -3.425 -2.616 1.00 0.00 C ATOM 1069 CD2 LEU A 74 -4.329 -4.112 -1.255 1.00 0.00 C ATOM 0 H LEU A 74 -4.731 -0.882 -5.015 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.927 -1.270 -2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.595 -3.185 -4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.222 -3.741 -3.410 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.891 -2.108 -1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.927 -3.496 -1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.709 -2.648 -3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.322 -4.380 -3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.976 -4.174 -0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.288 -5.085 -1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.326 -3.820 -0.945 1.00 0.00 H new ATOM 1081 N VAL A 75 -0.928 -1.570 -4.113 1.00 0.00 N ATOM 1082 CA VAL A 75 0.274 -1.676 -4.933 1.00 0.00 C ATOM 1083 C VAL A 75 1.355 -2.483 -4.223 1.00 0.00 C ATOM 1084 O VAL A 75 1.161 -2.945 -3.098 1.00 0.00 O ATOM 1085 CB VAL A 75 0.836 -0.288 -5.290 1.00 0.00 C ATOM 1086 CG1 VAL A 75 0.005 0.360 -6.386 1.00 0.00 C ATOM 1087 CG2 VAL A 75 0.890 0.602 -4.056 1.00 0.00 C ATOM 0 H VAL A 75 -0.752 -1.348 -3.133 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.015 -2.189 -5.850 1.00 0.00 H new ATOM 0 HB VAL A 75 1.852 -0.415 -5.663 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.418 1.340 -6.624 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.024 -0.268 -7.277 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.024 0.473 -6.044 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.290 1.579 -4.329 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.114 0.722 -3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.533 0.144 -3.305 1.00 0.00 H new ATOM 1097 N ARG A 76 2.493 -2.651 -4.888 1.00 0.00 N ATOM 1098 CA ARG A 76 3.606 -3.406 -4.320 1.00 0.00 C ATOM 1099 C ARG A 76 4.783 -2.487 -3.999 1.00 0.00 C ATOM 1100 O ARG A 76 5.031 -1.512 -4.705 1.00 0.00 O ATOM 1101 CB ARG A 76 4.051 -4.504 -5.288 1.00 0.00 C ATOM 1102 CG ARG A 76 2.901 -5.331 -5.841 1.00 0.00 C ATOM 1103 CD ARG A 76 3.241 -5.914 -7.202 1.00 0.00 C ATOM 1104 NE ARG A 76 4.373 -6.836 -7.137 1.00 0.00 N ATOM 1105 CZ ARG A 76 4.280 -8.097 -6.724 1.00 0.00 C ATOM 1106 NH1 ARG A 76 3.110 -8.592 -6.335 1.00 0.00 N ATOM 1107 NH2 ARG A 76 5.358 -8.868 -6.700 1.00 0.00 N ATOM 0 H ARG A 76 2.670 -2.275 -5.820 1.00 0.00 H new ATOM 0 HA ARG A 76 3.264 -3.865 -3.392 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.591 -4.048 -6.118 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.750 -5.166 -4.777 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.664 -6.137 -5.147 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.010 -4.709 -5.922 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.371 -6.436 -7.600 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.472 -5.105 -7.895 1.00 0.00 H new ATOM 0 HE ARG A 76 5.289 -6.492 -7.426 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.277 -8.004 -6.352 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.045 -9.560 -6.019 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.259 -8.494 -6.998 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.286 -9.835 -6.383 1.00 0.00 H new ATOM 1121 N PRO A 77 5.527 -2.792 -2.917 1.00 0.00 N ATOM 1122 CA PRO A 77 6.682 -1.991 -2.509 1.00 0.00 C ATOM 1123 C PRO A 77 7.568 -1.654 -3.697 1.00 0.00 C ATOM 1124 O PRO A 77 7.826 -0.488 -3.989 1.00 0.00 O ATOM 1125 CB PRO A 77 7.412 -2.909 -1.532 1.00 0.00 C ATOM 1126 CG PRO A 77 6.337 -3.751 -0.936 1.00 0.00 C ATOM 1127 CD PRO A 77 5.303 -3.939 -2.016 1.00 0.00 C ATOM 0 HA PRO A 77 6.401 -1.032 -2.074 1.00 0.00 H new ATOM 0 HB2 PRO A 77 8.157 -3.519 -2.042 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.938 -2.337 -0.767 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.733 -4.711 -0.605 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.903 -3.267 -0.061 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.434 -4.888 -2.536 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.292 -3.936 -1.608 1.00 0.00 H new ATOM 1135 N SER A 78 8.014 -2.696 -4.391 1.00 0.00 N ATOM 1136 CA SER A 78 8.852 -2.526 -5.566 1.00 0.00 C ATOM 1137 C SER A 78 8.148 -1.632 -6.578 1.00 0.00 C ATOM 1138 O SER A 78 8.791 -1.004 -7.420 1.00 0.00 O ATOM 1139 CB SER A 78 9.176 -3.882 -6.195 1.00 0.00 C ATOM 1140 OG SER A 78 10.202 -3.762 -7.166 1.00 0.00 O ATOM 0 H SER A 78 7.807 -3.667 -4.157 1.00 0.00 H new ATOM 0 HA SER A 78 9.787 -2.055 -5.264 1.00 0.00 H new ATOM 0 HB2 SER A 78 9.486 -4.582 -5.419 1.00 0.00 H new ATOM 0 HB3 SER A 78 8.280 -4.295 -6.658 1.00 0.00 H new ATOM 0 HG SER A 78 10.392 -4.643 -7.552 1.00 0.00 H new ATOM 1146 N ARG A 79 6.820 -1.567 -6.480 1.00 0.00 N ATOM 1147 CA ARG A 79 6.039 -0.733 -7.379 1.00 0.00 C ATOM 1148 C ARG A 79 5.849 0.664 -6.790 1.00 0.00 C ATOM 1149 O ARG A 79 5.363 1.568 -7.468 1.00 0.00 O ATOM 1150 CB ARG A 79 4.678 -1.375 -7.666 1.00 0.00 C ATOM 1151 CG ARG A 79 4.755 -2.570 -8.604 1.00 0.00 C ATOM 1152 CD ARG A 79 5.272 -2.172 -9.977 1.00 0.00 C ATOM 1153 NE ARG A 79 4.418 -1.175 -10.618 1.00 0.00 N ATOM 1154 CZ ARG A 79 3.334 -1.471 -11.332 1.00 0.00 C ATOM 1155 NH1 ARG A 79 2.960 -2.735 -11.495 1.00 0.00 N ATOM 1156 NH2 ARG A 79 2.618 -0.500 -11.883 1.00 0.00 N ATOM 0 H ARG A 79 6.270 -2.080 -5.791 1.00 0.00 H new ATOM 0 HA ARG A 79 6.586 -0.643 -8.318 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.229 -1.691 -6.724 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.016 -0.625 -8.099 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.409 -3.329 -8.174 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.767 -3.020 -8.703 1.00 0.00 H new ATOM 0 HD2 ARG A 79 6.283 -1.776 -9.882 1.00 0.00 H new ATOM 0 HD3 ARG A 79 5.334 -3.057 -10.611 1.00 0.00 H new ATOM 0 HE ARG A 79 4.668 -0.192 -10.512 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.504 -3.487 -11.072 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.128 -2.954 -12.043 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.898 0.473 -11.760 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.787 -0.726 -12.430 1.00 0.00 H new ATOM 1170 N VAL A 80 6.242 0.841 -5.525 1.00 0.00 N ATOM 1171 CA VAL A 80 6.113 2.141 -4.872 1.00 0.00 C ATOM 1172 C VAL A 80 7.462 2.635 -4.359 1.00 0.00 C ATOM 1173 O VAL A 80 8.431 1.879 -4.301 1.00 0.00 O ATOM 1174 CB VAL A 80 5.112 2.095 -3.700 1.00 0.00 C ATOM 1175 CG1 VAL A 80 3.724 1.725 -4.198 1.00 0.00 C ATOM 1176 CG2 VAL A 80 5.578 1.123 -2.628 1.00 0.00 C ATOM 0 H VAL A 80 6.647 0.109 -4.941 1.00 0.00 H new ATOM 0 HA VAL A 80 5.737 2.833 -5.626 1.00 0.00 H new ATOM 0 HB VAL A 80 5.062 3.089 -3.254 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.031 1.697 -3.357 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.387 2.467 -4.922 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.757 0.745 -4.673 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.856 1.108 -1.812 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.664 0.124 -3.055 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.549 1.439 -2.247 1.00 0.00 H new ATOM 1186 N THR A 81 7.518 3.912 -3.990 1.00 0.00 N ATOM 1187 CA THR A 81 8.750 4.506 -3.486 1.00 0.00 C ATOM 1188 C THR A 81 8.451 5.645 -2.516 1.00 0.00 C ATOM 1189 O THR A 81 7.377 6.247 -2.562 1.00 0.00 O ATOM 1190 CB THR A 81 9.605 5.019 -4.645 1.00 0.00 C ATOM 1191 OG1 THR A 81 9.271 4.350 -5.849 1.00 0.00 O ATOM 1192 CG2 THR A 81 11.091 4.843 -4.418 1.00 0.00 C ATOM 0 H THR A 81 6.726 4.553 -4.031 1.00 0.00 H new ATOM 0 HA THR A 81 9.302 3.734 -2.950 1.00 0.00 H new ATOM 0 HB THR A 81 9.389 6.085 -4.713 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.828 4.693 -6.579 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.639 5.228 -5.278 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.390 5.390 -3.524 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.316 3.784 -4.288 1.00 0.00 H new