USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=18 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 :FLIP amide:sc= 0.719 F(o=1.1,f=1.9) USER MOD Set 1.2: A 29 THR OG1 : rot -74:sc= 1.18 USER MOD Single : A 14 HIS : no HD1:sc= -0.18 X(o=-0.18,f=-0.019) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0138 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= 0.00669 X(o=0.0067,f=0) USER MOD Single : A 27 MET CE :methyl -164:sc= -1.15 (180deg=-1.38!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -118:sc= 1.34 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -0.0791 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= -0.0946 K(o=-0.095,f=-1.6!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= -3.1! USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 87:sc= -0.32 USER MOD Single : A 68 LYS NZ :NH3+ -166:sc= -0.0646 (180deg=-0.309) USER MOD Single : A 70 ASN : amide:sc= 0 K(o=0,f=-0.53) 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=-0.00886 USER MOD ----------------------------------------------------------------- ATOM 142 N LEU A 13 7.925 -0.541 5.008 1.00 0.00 N ATOM 143 CA LEU A 13 6.737 0.245 5.317 1.00 0.00 C ATOM 144 C LEU A 13 5.977 -0.356 6.495 1.00 0.00 C ATOM 145 O LEU A 13 5.925 -1.575 6.658 1.00 0.00 O ATOM 146 CB LEU A 13 5.821 0.327 4.094 1.00 0.00 C ATOM 147 CG LEU A 13 6.512 0.749 2.796 1.00 0.00 C ATOM 148 CD1 LEU A 13 5.648 0.403 1.594 1.00 0.00 C ATOM 149 CD2 LEU A 13 6.825 2.238 2.819 1.00 0.00 C ATOM 0 HA LEU A 13 7.059 1.250 5.590 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.357 -0.647 3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.018 1.033 4.307 1.00 0.00 H new ATOM 0 HG LEU A 13 7.451 0.201 2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.156 0.711 0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.475 -0.673 1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.693 0.923 1.671 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.316 2.521 1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.899 2.803 2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.484 2.458 3.659 1.00 0.00 H new ATOM 161 N HIS A 14 5.389 0.509 7.316 1.00 0.00 N ATOM 162 CA HIS A 14 4.633 0.064 8.481 1.00 0.00 C ATOM 163 C HIS A 14 3.468 1.009 8.765 1.00 0.00 C ATOM 164 O HIS A 14 3.268 1.442 9.900 1.00 0.00 O ATOM 165 CB HIS A 14 5.547 -0.026 9.705 1.00 0.00 C ATOM 166 CG HIS A 14 5.309 -1.245 10.540 1.00 0.00 C ATOM 167 ND1 HIS A 14 5.187 -1.224 11.911 1.00 0.00 N ATOM 168 CD2 HIS A 14 5.169 -2.544 10.170 1.00 0.00 C ATOM 169 CE1 HIS A 14 4.982 -2.483 12.324 1.00 0.00 C ATOM 170 NE2 HIS A 14 4.962 -3.322 11.307 1.00 0.00 N ATOM 0 H HIS A 14 5.422 1.521 7.196 1.00 0.00 H new ATOM 0 HA HIS A 14 4.230 -0.926 8.267 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.586 -0.019 9.374 1.00 0.00 H new ATOM 0 HB3 HIS A 14 5.403 0.861 10.322 1.00 0.00 H new ATOM 0 HD2 HIS A 14 5.211 -2.915 9.156 1.00 0.00 H new ATOM 0 HE1 HIS A 14 4.850 -2.772 13.356 1.00 0.00 H new ATOM 0 HE2 HIS A 14 4.824 -4.332 11.345 1.00 0.00 H new ATOM 178 N GLU A 15 2.702 1.324 7.726 1.00 0.00 N ATOM 179 CA GLU A 15 1.557 2.217 7.862 1.00 0.00 C ATOM 180 C GLU A 15 1.996 3.595 8.348 1.00 0.00 C ATOM 181 O GLU A 15 3.068 3.744 8.935 1.00 0.00 O ATOM 182 CB GLU A 15 0.534 1.624 8.833 1.00 0.00 C ATOM 183 CG GLU A 15 -0.024 0.282 8.384 1.00 0.00 C ATOM 184 CD GLU A 15 0.433 -0.863 9.266 1.00 0.00 C ATOM 185 OE1 GLU A 15 0.313 -0.746 10.504 1.00 0.00 O ATOM 186 OE2 GLU A 15 0.910 -1.880 8.718 1.00 0.00 O ATOM 0 H GLU A 15 2.853 0.974 6.780 1.00 0.00 H new ATOM 0 HA GLU A 15 1.096 2.327 6.881 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.000 1.505 9.811 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.289 2.328 8.955 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.113 0.326 8.387 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.284 0.090 7.356 1.00 0.00 H new ATOM 193 N GLY A 16 1.161 4.598 8.098 1.00 0.00 N ATOM 194 CA GLY A 16 1.480 5.950 8.517 1.00 0.00 C ATOM 195 C GLY A 16 2.684 6.514 7.788 1.00 0.00 C ATOM 196 O GLY A 16 3.581 7.086 8.407 1.00 0.00 O ATOM 0 H GLY A 16 0.269 4.499 7.613 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.618 6.594 8.342 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.672 5.959 9.590 1.00 0.00 H new ATOM 200 N SER A 17 2.702 6.353 6.469 1.00 0.00 N ATOM 201 CA SER A 17 3.804 6.852 5.654 1.00 0.00 C ATOM 202 C SER A 17 3.293 7.410 4.330 1.00 0.00 C ATOM 203 O SER A 17 2.121 7.254 3.991 1.00 0.00 O ATOM 204 CB SER A 17 4.818 5.736 5.393 1.00 0.00 C ATOM 205 OG SER A 17 6.144 6.236 5.416 1.00 0.00 O ATOM 0 H SER A 17 1.967 5.881 5.942 1.00 0.00 H new ATOM 0 HA SER A 17 4.293 7.658 6.202 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.707 4.956 6.146 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.616 5.276 4.426 1.00 0.00 H new ATOM 0 HG SER A 17 6.773 5.503 5.248 1.00 0.00 H new ATOM 211 N GLN A 18 4.181 8.061 3.586 1.00 0.00 N ATOM 212 CA GLN A 18 3.820 8.643 2.298 1.00 0.00 C ATOM 213 C GLN A 18 4.706 8.092 1.185 1.00 0.00 C ATOM 214 O GLN A 18 5.883 8.441 1.086 1.00 0.00 O ATOM 215 CB GLN A 18 3.937 10.167 2.352 1.00 0.00 C ATOM 216 CG GLN A 18 3.061 10.806 3.418 1.00 0.00 C ATOM 217 CD GLN A 18 1.582 10.599 3.157 1.00 0.00 C ATOM 218 OE1 GLN A 18 0.874 10.074 4.151 1.00 0.00 O flip ATOM 219 NE2 GLN A 18 1.081 10.907 2.076 1.00 0.00 N flip ATOM 0 H GLN A 18 5.156 8.199 3.853 1.00 0.00 H new ATOM 0 HA GLN A 18 2.786 8.373 2.082 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.977 10.437 2.538 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.670 10.579 1.379 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.316 10.388 4.392 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.272 11.874 3.464 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.663 11.308 1.340 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.084 10.762 1.916 1.00 0.00 H new ATOM 228 N VAL A 19 4.133 7.232 0.350 1.00 0.00 N ATOM 229 CA VAL A 19 4.870 6.635 -0.756 1.00 0.00 C ATOM 230 C VAL A 19 4.466 7.257 -2.088 1.00 0.00 C ATOM 231 O VAL A 19 3.569 8.098 -2.144 1.00 0.00 O ATOM 232 CB VAL A 19 4.644 5.113 -0.824 1.00 0.00 C ATOM 233 CG1 VAL A 19 5.237 4.427 0.397 1.00 0.00 C ATOM 234 CG2 VAL A 19 3.161 4.800 -0.953 1.00 0.00 C ATOM 0 H VAL A 19 3.160 6.933 0.419 1.00 0.00 H new ATOM 0 HA VAL A 19 5.926 6.831 -0.573 1.00 0.00 H new ATOM 0 HB VAL A 19 5.152 4.729 -1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.067 3.353 0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.308 4.622 0.440 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.762 4.814 1.298 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.020 3.720 -1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.629 5.199 -0.089 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.771 5.257 -1.862 1.00 0.00 H new ATOM 244 N LEU A 20 5.133 6.837 -3.158 1.00 0.00 N ATOM 245 CA LEU A 20 4.842 7.354 -4.491 1.00 0.00 C ATOM 246 C LEU A 20 4.868 6.233 -5.526 1.00 0.00 C ATOM 247 O LEU A 20 5.621 5.269 -5.394 1.00 0.00 O ATOM 248 CB LEU A 20 5.851 8.439 -4.872 1.00 0.00 C ATOM 249 CG LEU A 20 5.673 9.024 -6.274 1.00 0.00 C ATOM 250 CD1 LEU A 20 4.356 9.778 -6.374 1.00 0.00 C ATOM 251 CD2 LEU A 20 6.839 9.937 -6.621 1.00 0.00 C ATOM 0 H LEU A 20 5.878 6.141 -3.129 1.00 0.00 H new ATOM 0 HA LEU A 20 3.842 7.787 -4.475 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.783 9.249 -4.145 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.856 8.024 -4.793 1.00 0.00 H new ATOM 0 HG LEU A 20 5.653 8.203 -6.991 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.246 10.187 -7.378 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.530 9.097 -6.168 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.346 10.591 -5.648 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.697 10.345 -7.622 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.889 10.753 -5.900 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.768 9.368 -6.590 1.00 0.00 H new ATOM 263 N LEU A 21 4.040 6.367 -6.556 1.00 0.00 N ATOM 264 CA LEU A 21 3.967 5.365 -7.614 1.00 0.00 C ATOM 265 C LEU A 21 4.936 5.696 -8.743 1.00 0.00 C ATOM 266 O LEU A 21 4.946 6.814 -9.259 1.00 0.00 O ATOM 267 CB LEU A 21 2.541 5.273 -8.160 1.00 0.00 C ATOM 268 CG LEU A 21 1.475 4.899 -7.129 1.00 0.00 C ATOM 269 CD1 LEU A 21 0.084 5.204 -7.664 1.00 0.00 C ATOM 270 CD2 LEU A 21 1.593 3.430 -6.751 1.00 0.00 C ATOM 0 H LEU A 21 3.410 7.159 -6.681 1.00 0.00 H new ATOM 0 HA LEU A 21 4.248 4.402 -7.189 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.275 6.233 -8.603 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.523 4.536 -8.963 1.00 0.00 H new ATOM 0 HG LEU A 21 1.636 5.499 -6.233 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.661 4.931 -6.917 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.004 6.269 -7.884 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.089 4.631 -8.575 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.827 3.181 -6.017 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.458 2.814 -7.640 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.579 3.242 -6.325 1.00 0.00 H new ATOM 282 N THR A 22 5.751 4.716 -9.124 1.00 0.00 N ATOM 283 CA THR A 22 6.724 4.904 -10.193 1.00 0.00 C ATOM 284 C THR A 22 6.110 4.576 -11.552 1.00 0.00 C ATOM 285 O THR A 22 6.614 3.725 -12.284 1.00 0.00 O ATOM 286 CB THR A 22 7.955 4.028 -9.949 1.00 0.00 C ATOM 287 OG1 THR A 22 7.573 2.696 -9.658 1.00 0.00 O ATOM 288 CG2 THR A 22 8.820 4.517 -8.807 1.00 0.00 C ATOM 0 H THR A 22 5.756 3.785 -8.708 1.00 0.00 H new ATOM 0 HA THR A 22 7.027 5.951 -10.196 1.00 0.00 H new ATOM 0 HB THR A 22 8.534 4.080 -10.871 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.374 2.152 -9.507 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.675 3.852 -8.687 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.172 5.525 -9.023 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.236 4.526 -7.887 1.00 0.00 H new ATOM 296 N SER A 23 5.018 5.259 -11.880 1.00 0.00 N ATOM 297 CA SER A 23 4.334 5.043 -13.149 1.00 0.00 C ATOM 298 C SER A 23 3.290 6.126 -13.395 1.00 0.00 C ATOM 299 O SER A 23 3.327 6.820 -14.410 1.00 0.00 O ATOM 300 CB SER A 23 3.670 3.664 -13.166 1.00 0.00 C ATOM 301 OG SER A 23 3.271 3.273 -11.863 1.00 0.00 O ATOM 0 H SER A 23 4.588 5.967 -11.284 1.00 0.00 H new ATOM 0 HA SER A 23 5.076 5.091 -13.946 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.802 3.683 -13.825 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.363 2.928 -13.573 1.00 0.00 H new ATOM 0 HG SER A 23 2.848 2.390 -11.902 1.00 0.00 H new ATOM 307 N SER A 24 2.360 6.266 -12.456 1.00 0.00 N ATOM 308 CA SER A 24 1.303 7.266 -12.569 1.00 0.00 C ATOM 309 C SER A 24 1.691 8.556 -11.850 1.00 0.00 C ATOM 310 O SER A 24 1.162 9.627 -12.151 1.00 0.00 O ATOM 311 CB SER A 24 -0.005 6.722 -11.993 1.00 0.00 C ATOM 312 OG SER A 24 -0.473 5.615 -12.743 1.00 0.00 O ATOM 0 H SER A 24 2.316 5.700 -11.608 1.00 0.00 H new ATOM 0 HA SER A 24 1.162 7.490 -13.626 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.147 6.424 -10.956 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.760 7.509 -11.991 1.00 0.00 H new ATOM 0 HG SER A 24 -1.309 5.285 -12.353 1.00 0.00 H new ATOM 318 N ASN A 25 2.616 8.449 -10.900 1.00 0.00 N ATOM 319 CA ASN A 25 3.072 9.609 -10.140 1.00 0.00 C ATOM 320 C ASN A 25 1.952 10.155 -9.259 1.00 0.00 C ATOM 321 O ASN A 25 1.354 11.187 -9.565 1.00 0.00 O ATOM 322 CB ASN A 25 3.576 10.703 -11.084 1.00 0.00 C ATOM 323 CG ASN A 25 4.550 11.648 -10.407 1.00 0.00 C ATOM 324 OD1 ASN A 25 5.750 11.622 -10.681 1.00 0.00 O ATOM 325 ND2 ASN A 25 4.036 12.489 -9.517 1.00 0.00 N ATOM 0 H ASN A 25 3.064 7.571 -10.638 1.00 0.00 H new ATOM 0 HA ASN A 25 3.893 9.290 -9.498 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.060 10.242 -11.944 1.00 0.00 H new ATOM 0 HB3 ASN A 25 2.727 11.271 -11.463 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.642 13.149 -9.029 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.035 12.475 -9.321 1.00 0.00 H new ATOM 332 N GLU A 26 1.675 9.456 -8.164 1.00 0.00 N ATOM 333 CA GLU A 26 0.628 9.869 -7.237 1.00 0.00 C ATOM 334 C GLU A 26 0.954 9.425 -5.815 1.00 0.00 C ATOM 335 O GLU A 26 0.980 8.231 -5.518 1.00 0.00 O ATOM 336 CB GLU A 26 -0.721 9.289 -7.668 1.00 0.00 C ATOM 337 CG GLU A 26 -1.456 10.147 -8.685 1.00 0.00 C ATOM 338 CD GLU A 26 -2.945 10.227 -8.414 1.00 0.00 C ATOM 339 OE1 GLU A 26 -3.513 9.229 -7.922 1.00 0.00 O ATOM 340 OE2 GLU A 26 -3.544 11.287 -8.692 1.00 0.00 O ATOM 0 H GLU A 26 2.161 8.600 -7.896 1.00 0.00 H new ATOM 0 HA GLU A 26 0.571 10.957 -7.254 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.562 8.297 -8.090 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.351 9.164 -6.787 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.035 11.152 -8.678 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.294 9.740 -9.683 1.00 0.00 H new ATOM 347 N MET A 27 1.203 10.394 -4.940 1.00 0.00 N ATOM 348 CA MET A 27 1.527 10.103 -3.548 1.00 0.00 C ATOM 349 C MET A 27 0.289 9.651 -2.782 1.00 0.00 C ATOM 350 O MET A 27 -0.811 10.158 -3.005 1.00 0.00 O ATOM 351 CB MET A 27 2.135 11.336 -2.877 1.00 0.00 C ATOM 352 CG MET A 27 3.415 11.820 -3.538 1.00 0.00 C ATOM 353 SD MET A 27 4.897 11.292 -2.655 1.00 0.00 S ATOM 354 CE MET A 27 4.623 12.049 -1.054 1.00 0.00 C ATOM 0 H MET A 27 1.187 11.388 -5.170 1.00 0.00 H new ATOM 0 HA MET A 27 2.255 9.292 -3.533 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.403 12.143 -2.888 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.340 11.106 -1.832 1.00 0.00 H new ATOM 0 HG2 MET A 27 3.454 11.447 -4.561 1.00 0.00 H new ATOM 0 HG3 MET A 27 3.400 12.908 -3.596 1.00 0.00 H new ATOM 0 HE1 MET A 27 5.557 12.062 -0.493 1.00 0.00 H new ATOM 0 HE2 MET A 27 4.268 13.070 -1.190 1.00 0.00 H new ATOM 0 HE3 MET A 27 3.877 11.476 -0.503 1.00 0.00 H new ATOM 364 N ALA A 28 0.475 8.694 -1.878 1.00 0.00 N ATOM 365 CA ALA A 28 -0.626 8.174 -1.079 1.00 0.00 C ATOM 366 C ALA A 28 -0.156 7.792 0.321 1.00 0.00 C ATOM 367 O ALA A 28 1.040 7.622 0.559 1.00 0.00 O ATOM 368 CB ALA A 28 -1.263 6.977 -1.771 1.00 0.00 C ATOM 0 H ALA A 28 1.379 8.264 -1.681 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.374 8.961 -0.980 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.084 6.599 -1.162 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.644 7.281 -2.746 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.517 6.193 -1.901 1.00 0.00 H new ATOM 374 N THR A 29 -1.104 7.658 1.244 1.00 0.00 N ATOM 375 CA THR A 29 -0.785 7.297 2.619 1.00 0.00 C ATOM 376 C THR A 29 -0.927 5.797 2.837 1.00 0.00 C ATOM 377 O THR A 29 -1.850 5.169 2.321 1.00 0.00 O ATOM 378 CB THR A 29 -1.692 8.054 3.592 1.00 0.00 C ATOM 379 OG1 THR A 29 -1.675 9.443 3.315 1.00 0.00 O ATOM 380 CG2 THR A 29 -1.300 7.869 5.042 1.00 0.00 C ATOM 0 H THR A 29 -2.099 7.794 1.063 1.00 0.00 H new ATOM 0 HA THR A 29 0.252 7.575 2.808 1.00 0.00 H new ATOM 0 HB THR A 29 -2.687 7.635 3.446 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.823 9.826 3.613 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.983 8.432 5.678 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.351 6.811 5.301 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.283 8.230 5.193 1.00 0.00 H new ATOM 388 N VAL A 30 -0.004 5.230 3.606 1.00 0.00 N ATOM 389 CA VAL A 30 -0.025 3.803 3.892 1.00 0.00 C ATOM 390 C VAL A 30 -0.951 3.493 5.064 1.00 0.00 C ATOM 391 O VAL A 30 -0.731 3.960 6.182 1.00 0.00 O ATOM 392 CB VAL A 30 1.385 3.272 4.211 1.00 0.00 C ATOM 393 CG1 VAL A 30 1.374 1.754 4.313 1.00 0.00 C ATOM 394 CG2 VAL A 30 2.380 3.735 3.159 1.00 0.00 C ATOM 0 H VAL A 30 0.767 5.737 4.041 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.396 3.306 2.996 1.00 0.00 H new ATOM 0 HB VAL A 30 1.696 3.675 5.175 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.379 1.397 4.539 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.693 1.448 5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.042 1.328 3.366 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.371 3.350 3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.075 3.363 2.181 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.409 4.824 3.140 1.00 0.00 H new ATOM 404 N ARG A 31 -1.987 2.704 4.800 1.00 0.00 N ATOM 405 CA ARG A 31 -2.947 2.333 5.834 1.00 0.00 C ATOM 406 C ARG A 31 -2.832 0.853 6.182 1.00 0.00 C ATOM 407 O ARG A 31 -3.065 0.453 7.322 1.00 0.00 O ATOM 408 CB ARG A 31 -4.371 2.652 5.375 1.00 0.00 C ATOM 409 CG ARG A 31 -4.674 4.140 5.322 1.00 0.00 C ATOM 410 CD ARG A 31 -4.471 4.798 6.678 1.00 0.00 C ATOM 411 NE ARG A 31 -5.114 4.045 7.753 1.00 0.00 N ATOM 412 CZ ARG A 31 -4.812 4.188 9.041 1.00 0.00 C ATOM 413 NH1 ARG A 31 -3.879 5.053 9.420 1.00 0.00 N ATOM 414 NH2 ARG A 31 -5.446 3.464 9.954 1.00 0.00 N ATOM 0 H ARG A 31 -2.184 2.309 3.880 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.721 2.915 6.728 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.530 2.222 4.386 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.078 2.170 6.050 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.029 4.618 4.584 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.702 4.292 4.993 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.404 4.884 6.883 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.873 5.811 6.654 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.836 3.370 7.501 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.389 5.613 8.722 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.652 5.158 10.409 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.164 2.798 9.668 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.215 3.573 10.942 1.00 0.00 H new ATOM 428 N TYR A 32 -2.473 0.042 5.192 1.00 0.00 N ATOM 429 CA TYR A 32 -2.329 -1.394 5.395 1.00 0.00 C ATOM 430 C TYR A 32 -1.041 -1.908 4.760 1.00 0.00 C ATOM 431 O TYR A 32 -0.613 -1.417 3.715 1.00 0.00 O ATOM 432 CB TYR A 32 -3.533 -2.136 4.809 1.00 0.00 C ATOM 433 CG TYR A 32 -4.024 -3.273 5.676 1.00 0.00 C ATOM 434 CD1 TYR A 32 -4.912 -3.041 6.720 1.00 0.00 C ATOM 435 CD2 TYR A 32 -3.604 -4.577 5.450 1.00 0.00 C ATOM 436 CE1 TYR A 32 -5.364 -4.077 7.514 1.00 0.00 C ATOM 437 CE2 TYR A 32 -4.052 -5.618 6.240 1.00 0.00 C ATOM 438 CZ TYR A 32 -4.932 -5.363 7.270 1.00 0.00 C ATOM 439 OH TYR A 32 -5.380 -6.398 8.059 1.00 0.00 O ATOM 0 H TYR A 32 -2.277 0.355 4.241 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.282 -1.581 6.468 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.347 -1.428 4.658 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.265 -2.528 3.828 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -5.254 -2.035 6.913 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.916 -4.781 4.643 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -6.053 -3.880 8.322 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.715 -6.626 6.052 1.00 0.00 H new ATOM 0 HH TYR A 32 -4.981 -7.239 7.753 1.00 0.00 H new ATOM 449 N VAL A 33 -0.426 -2.899 5.398 1.00 0.00 N ATOM 450 CA VAL A 33 0.813 -3.479 4.896 1.00 0.00 C ATOM 451 C VAL A 33 0.912 -4.957 5.258 1.00 0.00 C ATOM 452 O VAL A 33 1.132 -5.310 6.416 1.00 0.00 O ATOM 453 CB VAL A 33 2.046 -2.742 5.454 1.00 0.00 C ATOM 454 CG1 VAL A 33 3.317 -3.240 4.781 1.00 0.00 C ATOM 455 CG2 VAL A 33 1.894 -1.239 5.275 1.00 0.00 C ATOM 0 H VAL A 33 -0.766 -3.317 6.264 1.00 0.00 H new ATOM 0 HA VAL A 33 0.796 -3.372 3.811 1.00 0.00 H new ATOM 0 HB VAL A 33 2.121 -2.953 6.521 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.177 -2.708 5.188 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.431 -4.308 4.965 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.254 -3.061 3.708 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.774 -0.734 5.675 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.793 -1.007 4.215 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.006 -0.897 5.807 1.00 0.00 H new ATOM 465 N GLY A 34 0.749 -5.817 4.258 1.00 0.00 N ATOM 466 CA GLY A 34 0.823 -7.247 4.490 1.00 0.00 C ATOM 467 C GLY A 34 0.143 -8.048 3.395 1.00 0.00 C ATOM 468 O GLY A 34 -0.236 -7.494 2.363 1.00 0.00 O ATOM 0 H GLY A 34 0.567 -5.549 3.291 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.869 -7.547 4.560 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.360 -7.481 5.448 1.00 0.00 H new ATOM 472 N PRO A 35 -0.027 -9.367 3.591 1.00 0.00 N ATOM 473 CA PRO A 35 -0.671 -10.236 2.601 1.00 0.00 C ATOM 474 C PRO A 35 -2.027 -9.700 2.155 1.00 0.00 C ATOM 475 O PRO A 35 -2.460 -8.634 2.592 1.00 0.00 O ATOM 476 CB PRO A 35 -0.840 -11.562 3.346 1.00 0.00 C ATOM 477 CG PRO A 35 0.225 -11.550 4.386 1.00 0.00 C ATOM 478 CD PRO A 35 0.394 -10.113 4.792 1.00 0.00 C ATOM 0 HA PRO A 35 -0.082 -10.318 1.687 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.830 -11.641 3.794 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.726 -12.412 2.673 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.057 -12.166 5.240 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.157 -11.957 3.994 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.222 -9.864 5.656 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.426 -9.890 5.062 1.00 0.00 H new ATOM 486 N THR A 36 -2.695 -10.448 1.282 1.00 0.00 N ATOM 487 CA THR A 36 -4.002 -10.049 0.776 1.00 0.00 C ATOM 488 C THR A 36 -4.968 -11.230 0.780 1.00 0.00 C ATOM 489 O THR A 36 -4.627 -12.321 1.238 1.00 0.00 O ATOM 490 CB THR A 36 -3.874 -9.485 -0.640 1.00 0.00 C ATOM 491 OG1 THR A 36 -2.767 -10.059 -1.312 1.00 0.00 O ATOM 492 CG2 THR A 36 -3.699 -7.981 -0.671 1.00 0.00 C ATOM 0 H THR A 36 -2.352 -11.334 0.911 1.00 0.00 H new ATOM 0 HA THR A 36 -4.398 -9.275 1.433 1.00 0.00 H new ATOM 0 HB THR A 36 -4.811 -9.737 -1.136 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.122 -9.357 -1.539 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.614 -7.646 -1.705 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.561 -7.505 -0.204 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.795 -7.709 -0.126 1.00 0.00 H new ATOM 500 N ASP A 37 -6.174 -11.005 0.269 1.00 0.00 N ATOM 501 CA ASP A 37 -7.188 -12.052 0.215 1.00 0.00 C ATOM 502 C ASP A 37 -7.407 -12.525 -1.219 1.00 0.00 C ATOM 503 O ASP A 37 -7.639 -13.709 -1.464 1.00 0.00 O ATOM 504 CB ASP A 37 -8.505 -11.547 0.806 1.00 0.00 C ATOM 505 CG ASP A 37 -9.312 -12.655 1.450 1.00 0.00 C ATOM 506 OD1 ASP A 37 -8.753 -13.381 2.300 1.00 0.00 O ATOM 507 OD2 ASP A 37 -10.504 -12.801 1.106 1.00 0.00 O ATOM 0 H ASP A 37 -6.473 -10.108 -0.113 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.834 -12.897 0.806 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.295 -10.776 1.547 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.098 -11.080 0.019 1.00 0.00 H new ATOM 512 N PHE A 38 -7.333 -11.592 -2.162 1.00 0.00 N ATOM 513 CA PHE A 38 -7.523 -11.914 -3.572 1.00 0.00 C ATOM 514 C PHE A 38 -6.200 -12.300 -4.225 1.00 0.00 C ATOM 515 O PHE A 38 -6.165 -13.122 -5.140 1.00 0.00 O ATOM 516 CB PHE A 38 -8.141 -10.725 -4.309 1.00 0.00 C ATOM 517 CG PHE A 38 -7.297 -9.482 -4.257 1.00 0.00 C ATOM 518 CD1 PHE A 38 -7.451 -8.568 -3.228 1.00 0.00 C ATOM 519 CD2 PHE A 38 -6.350 -9.232 -5.236 1.00 0.00 C ATOM 520 CE1 PHE A 38 -6.676 -7.425 -3.177 1.00 0.00 C ATOM 521 CE2 PHE A 38 -5.573 -8.089 -5.191 1.00 0.00 C ATOM 522 CZ PHE A 38 -5.736 -7.185 -4.160 1.00 0.00 C ATOM 0 H PHE A 38 -7.143 -10.607 -1.976 1.00 0.00 H new ATOM 0 HA PHE A 38 -8.201 -12.765 -3.637 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.306 -10.999 -5.351 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.119 -10.509 -3.878 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -8.185 -8.751 -2.457 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.217 -9.937 -6.043 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.805 -6.720 -2.369 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.839 -7.904 -5.962 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.130 -6.292 -4.122 1.00 0.00 H new ATOM 532 N ALA A 39 -5.114 -11.702 -3.747 1.00 0.00 N ATOM 533 CA ALA A 39 -3.787 -11.983 -4.285 1.00 0.00 C ATOM 534 C ALA A 39 -2.895 -12.633 -3.234 1.00 0.00 C ATOM 535 O ALA A 39 -3.363 -13.027 -2.165 1.00 0.00 O ATOM 536 CB ALA A 39 -3.148 -10.704 -4.805 1.00 0.00 C ATOM 0 H ALA A 39 -5.126 -11.020 -2.989 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.898 -12.684 -5.112 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.158 -10.928 -5.204 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.770 -10.281 -5.594 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.057 -9.985 -3.990 1.00 0.00 H new ATOM 542 N SER A 40 -1.607 -12.743 -3.545 1.00 0.00 N ATOM 543 CA SER A 40 -0.649 -13.346 -2.626 1.00 0.00 C ATOM 544 C SER A 40 0.707 -12.653 -2.723 1.00 0.00 C ATOM 545 O SER A 40 1.354 -12.677 -3.771 1.00 0.00 O ATOM 546 CB SER A 40 -0.493 -14.838 -2.926 1.00 0.00 C ATOM 547 OG SER A 40 -0.356 -15.586 -1.730 1.00 0.00 O ATOM 0 H SER A 40 -1.204 -12.423 -4.425 1.00 0.00 H new ATOM 0 HA SER A 40 -1.029 -13.223 -1.612 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.360 -15.193 -3.484 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.380 -14.996 -3.560 1.00 0.00 H new ATOM 0 HG SER A 40 -0.260 -16.537 -1.948 1.00 0.00 H new ATOM 553 N GLY A 41 1.131 -12.036 -1.625 1.00 0.00 N ATOM 554 CA GLY A 41 2.406 -11.344 -1.608 1.00 0.00 C ATOM 555 C GLY A 41 2.413 -10.163 -0.658 1.00 0.00 C ATOM 556 O GLY A 41 1.717 -10.171 0.358 1.00 0.00 O ATOM 0 H GLY A 41 0.614 -12.003 -0.746 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.191 -12.043 -1.319 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.641 -10.998 -2.614 1.00 0.00 H new ATOM 560 N ILE A 42 3.201 -9.146 -0.987 1.00 0.00 N ATOM 561 CA ILE A 42 3.296 -7.951 -0.156 1.00 0.00 C ATOM 562 C ILE A 42 2.590 -6.769 -0.811 1.00 0.00 C ATOM 563 O ILE A 42 3.139 -6.124 -1.704 1.00 0.00 O ATOM 564 CB ILE A 42 4.764 -7.570 0.119 1.00 0.00 C ATOM 565 CG1 ILE A 42 5.542 -8.781 0.638 1.00 0.00 C ATOM 566 CG2 ILE A 42 4.837 -6.422 1.114 1.00 0.00 C ATOM 567 CD1 ILE A 42 6.973 -8.836 0.145 1.00 0.00 C ATOM 0 H ILE A 42 3.784 -9.125 -1.824 1.00 0.00 H new ATOM 0 HA ILE A 42 2.807 -8.185 0.790 1.00 0.00 H new ATOM 0 HB ILE A 42 5.219 -7.244 -0.817 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.542 -8.763 1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.026 -9.692 0.334 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.880 -6.165 1.297 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.316 -5.555 0.708 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.367 -6.722 2.051 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.464 -9.720 0.552 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.981 -8.885 -0.944 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.505 -7.942 0.472 1.00 0.00 H new ATOM 579 N TRP A 43 1.370 -6.491 -0.362 1.00 0.00 N ATOM 580 CA TRP A 43 0.590 -5.386 -0.906 1.00 0.00 C ATOM 581 C TRP A 43 0.431 -4.276 0.128 1.00 0.00 C ATOM 582 O TRP A 43 0.698 -4.474 1.313 1.00 0.00 O ATOM 583 CB TRP A 43 -0.787 -5.878 -1.357 1.00 0.00 C ATOM 584 CG TRP A 43 -0.725 -6.864 -2.484 1.00 0.00 C ATOM 585 CD1 TRP A 43 -0.572 -8.217 -2.382 1.00 0.00 C ATOM 586 CD2 TRP A 43 -0.814 -6.574 -3.883 1.00 0.00 C ATOM 587 NE1 TRP A 43 -0.561 -8.786 -3.632 1.00 0.00 N ATOM 588 CE2 TRP A 43 -0.709 -7.798 -4.571 1.00 0.00 C ATOM 589 CE3 TRP A 43 -0.975 -5.398 -4.623 1.00 0.00 C ATOM 590 CZ2 TRP A 43 -0.758 -7.878 -5.960 1.00 0.00 C ATOM 591 CZ3 TRP A 43 -1.023 -5.479 -6.002 1.00 0.00 C ATOM 592 CH2 TRP A 43 -0.915 -6.712 -6.658 1.00 0.00 C ATOM 0 H TRP A 43 0.901 -7.015 0.376 1.00 0.00 H new ATOM 0 HA TRP A 43 1.124 -4.985 -1.767 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.296 -6.337 -0.510 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.388 -5.022 -1.665 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.474 -8.760 -1.454 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.459 -9.782 -3.830 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.060 -4.443 -4.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.675 -8.827 -6.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.146 -4.577 -6.583 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.957 -6.743 -7.737 1.00 0.00 H new ATOM 603 N LEU A 44 -0.007 -3.106 -0.329 1.00 0.00 N ATOM 604 CA LEU A 44 -0.202 -1.967 0.558 1.00 0.00 C ATOM 605 C LEU A 44 -1.533 -1.278 0.274 1.00 0.00 C ATOM 606 O LEU A 44 -1.796 -0.852 -0.851 1.00 0.00 O ATOM 607 CB LEU A 44 0.946 -0.967 0.399 1.00 0.00 C ATOM 608 CG LEU A 44 2.342 -1.590 0.332 1.00 0.00 C ATOM 609 CD1 LEU A 44 3.263 -0.741 -0.529 1.00 0.00 C ATOM 610 CD2 LEU A 44 2.919 -1.755 1.730 1.00 0.00 C ATOM 0 H LEU A 44 -0.233 -2.924 -1.307 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.215 -2.336 1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.779 -0.387 -0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.917 -0.267 1.234 1.00 0.00 H new ATOM 0 HG LEU A 44 2.258 -2.576 -0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.251 -1.199 -0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.857 -0.673 -1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.342 0.259 -0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.912 -2.199 1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.989 -0.780 2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.270 -2.404 2.317 1.00 0.00 H new ATOM 622 N GLY A 45 -2.370 -1.173 1.301 1.00 0.00 N ATOM 623 CA GLY A 45 -3.664 -0.535 1.141 1.00 0.00 C ATOM 624 C GLY A 45 -3.591 0.972 1.293 1.00 0.00 C ATOM 625 O GLY A 45 -3.906 1.511 2.354 1.00 0.00 O ATOM 0 H GLY A 45 -2.176 -1.518 2.241 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.067 -0.779 0.158 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.358 -0.938 1.879 1.00 0.00 H new ATOM 629 N LEU A 46 -3.174 1.652 0.231 1.00 0.00 N ATOM 630 CA LEU A 46 -3.059 3.106 0.251 1.00 0.00 C ATOM 631 C LEU A 46 -4.435 3.759 0.344 1.00 0.00 C ATOM 632 O LEU A 46 -5.458 3.102 0.158 1.00 0.00 O ATOM 633 CB LEU A 46 -2.330 3.599 -1.001 1.00 0.00 C ATOM 634 CG LEU A 46 -0.834 3.281 -1.046 1.00 0.00 C ATOM 635 CD1 LEU A 46 -0.200 3.874 -2.296 1.00 0.00 C ATOM 636 CD2 LEU A 46 -0.142 3.801 0.204 1.00 0.00 C ATOM 0 H LEU A 46 -2.910 1.220 -0.655 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.483 3.388 1.132 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.806 3.159 -1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.459 4.679 -1.077 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.712 2.198 -1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.864 3.638 -2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.678 3.453 -3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.332 4.956 -2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.921 3.566 0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.273 4.881 0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.578 3.329 1.084 1.00 0.00 H new ATOM 648 N GLU A 47 -4.450 5.056 0.631 1.00 0.00 N ATOM 649 CA GLU A 47 -5.699 5.798 0.748 1.00 0.00 C ATOM 650 C GLU A 47 -5.503 7.260 0.357 1.00 0.00 C ATOM 651 O GLU A 47 -4.974 8.055 1.135 1.00 0.00 O ATOM 652 CB GLU A 47 -6.240 5.706 2.176 1.00 0.00 C ATOM 653 CG GLU A 47 -7.738 5.456 2.245 1.00 0.00 C ATOM 654 CD GLU A 47 -8.332 5.841 3.586 1.00 0.00 C ATOM 655 OE1 GLU A 47 -8.420 7.054 3.869 1.00 0.00 O ATOM 656 OE2 GLU A 47 -8.710 4.930 4.351 1.00 0.00 O ATOM 0 H GLU A 47 -3.611 5.615 0.787 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.422 5.353 0.065 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.722 4.903 2.701 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.010 6.632 2.703 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.234 6.022 1.456 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.936 4.401 2.053 1.00 0.00 H new ATOM 663 N LEU A 48 -5.933 7.608 -0.851 1.00 0.00 N ATOM 664 CA LEU A 48 -5.805 8.974 -1.345 1.00 0.00 C ATOM 665 C LEU A 48 -6.837 9.888 -0.690 1.00 0.00 C ATOM 666 O LEU A 48 -7.747 9.423 -0.005 1.00 0.00 O ATOM 667 CB LEU A 48 -5.969 9.007 -2.866 1.00 0.00 C ATOM 668 CG LEU A 48 -5.164 7.952 -3.626 1.00 0.00 C ATOM 669 CD1 LEU A 48 -5.692 7.797 -5.044 1.00 0.00 C ATOM 670 CD2 LEU A 48 -3.687 8.320 -3.642 1.00 0.00 C ATOM 0 H LEU A 48 -6.373 6.962 -1.506 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.810 9.335 -1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.025 8.879 -3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.678 9.994 -3.226 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.275 6.997 -3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.107 7.042 -5.570 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.737 7.489 -5.011 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.611 8.749 -5.569 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.128 7.559 -4.187 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.558 9.285 -4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.316 8.380 -2.619 1.00 0.00 H new ATOM 682 N ARG A 49 -6.686 11.190 -0.907 1.00 0.00 N ATOM 683 CA ARG A 49 -7.604 12.171 -0.340 1.00 0.00 C ATOM 684 C ARG A 49 -8.525 12.740 -1.415 1.00 0.00 C ATOM 685 O ARG A 49 -8.943 13.896 -1.339 1.00 0.00 O ATOM 686 CB ARG A 49 -6.822 13.301 0.336 1.00 0.00 C ATOM 687 CG ARG A 49 -7.251 13.566 1.770 1.00 0.00 C ATOM 688 CD ARG A 49 -6.152 14.255 2.561 1.00 0.00 C ATOM 689 NE ARG A 49 -6.515 14.432 3.964 1.00 0.00 N ATOM 690 CZ ARG A 49 -5.639 14.700 4.929 1.00 0.00 C ATOM 691 NH1 ARG A 49 -4.347 14.823 4.647 1.00 0.00 N ATOM 692 NH2 ARG A 49 -6.053 14.846 6.181 1.00 0.00 N ATOM 0 H ARG A 49 -5.937 11.590 -1.471 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.219 11.669 0.407 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.760 13.055 0.323 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.945 14.215 -0.246 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.147 14.186 1.774 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.513 12.624 2.253 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.236 13.668 2.495 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.940 15.227 2.116 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.499 14.345 4.220 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.022 14.712 3.687 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.680 15.029 5.391 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.044 14.753 6.405 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.380 15.051 6.920 1.00 0.00 H new ATOM 706 N SER A 50 -8.838 11.921 -2.413 1.00 0.00 N ATOM 707 CA SER A 50 -9.710 12.344 -3.503 1.00 0.00 C ATOM 708 C SER A 50 -10.240 11.139 -4.274 1.00 0.00 C ATOM 709 O SER A 50 -9.875 9.998 -3.990 1.00 0.00 O ATOM 710 CB SER A 50 -8.958 13.280 -4.453 1.00 0.00 C ATOM 711 OG SER A 50 -7.617 12.857 -4.631 1.00 0.00 O ATOM 0 H SER A 50 -8.501 10.961 -2.490 1.00 0.00 H new ATOM 0 HA SER A 50 -10.556 12.879 -3.071 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.465 13.308 -5.418 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.973 14.295 -4.056 1.00 0.00 H new ATOM 0 HG SER A 50 -7.159 13.470 -5.243 1.00 0.00 H new ATOM 717 N ALA A 51 -11.102 11.402 -5.250 1.00 0.00 N ATOM 718 CA ALA A 51 -11.684 10.338 -6.062 1.00 0.00 C ATOM 719 C ALA A 51 -10.916 10.165 -7.369 1.00 0.00 C ATOM 720 O ALA A 51 -11.322 10.679 -8.411 1.00 0.00 O ATOM 721 CB ALA A 51 -13.150 10.632 -6.343 1.00 0.00 C ATOM 0 H ALA A 51 -11.413 12.341 -5.498 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.613 9.405 -5.503 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.572 9.831 -6.950 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.695 10.700 -5.401 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -13.235 11.577 -6.880 1.00 0.00 H new ATOM 727 N LYS A 52 -9.807 9.436 -7.305 1.00 0.00 N ATOM 728 CA LYS A 52 -8.983 9.194 -8.483 1.00 0.00 C ATOM 729 C LYS A 52 -8.402 7.784 -8.461 1.00 0.00 C ATOM 730 O LYS A 52 -7.274 7.560 -8.901 1.00 0.00 O ATOM 731 CB LYS A 52 -7.853 10.222 -8.561 1.00 0.00 C ATOM 732 CG LYS A 52 -8.334 11.632 -8.873 1.00 0.00 C ATOM 733 CD LYS A 52 -8.090 12.577 -7.707 1.00 0.00 C ATOM 734 CE LYS A 52 -8.650 13.963 -7.986 1.00 0.00 C ATOM 735 NZ LYS A 52 -7.604 14.891 -8.498 1.00 0.00 N ATOM 0 H LYS A 52 -9.458 9.003 -6.450 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.617 9.293 -9.364 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.316 10.232 -7.613 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.142 9.911 -9.327 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.819 12.005 -9.758 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.398 11.610 -9.108 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.551 12.172 -6.806 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.020 12.648 -7.513 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.457 13.889 -8.714 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.082 14.371 -7.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.025 15.825 -8.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.845 14.982 -7.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.210 14.515 -9.384 1.00 0.00 H new ATOM 749 N GLY A 53 -9.179 6.837 -7.946 1.00 0.00 N ATOM 750 CA GLY A 53 -8.723 5.461 -7.876 1.00 0.00 C ATOM 751 C GLY A 53 -9.760 4.480 -8.387 1.00 0.00 C ATOM 752 O GLY A 53 -10.741 4.875 -9.017 1.00 0.00 O ATOM 0 H GLY A 53 -10.116 6.998 -7.576 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.808 5.355 -8.459 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.473 5.216 -6.844 1.00 0.00 H new ATOM 756 N LYS A 54 -9.542 3.197 -8.114 1.00 0.00 N ATOM 757 CA LYS A 54 -10.465 2.156 -8.551 1.00 0.00 C ATOM 758 C LYS A 54 -10.820 1.224 -7.395 1.00 0.00 C ATOM 759 O LYS A 54 -11.070 0.036 -7.596 1.00 0.00 O ATOM 760 CB LYS A 54 -9.852 1.351 -9.699 1.00 0.00 C ATOM 761 CG LYS A 54 -9.987 2.027 -11.055 1.00 0.00 C ATOM 762 CD LYS A 54 -10.569 1.082 -12.094 1.00 0.00 C ATOM 763 CE LYS A 54 -10.662 1.745 -13.460 1.00 0.00 C ATOM 764 NZ LYS A 54 -11.923 1.387 -14.166 1.00 0.00 N ATOM 0 H LYS A 54 -8.735 2.854 -7.593 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.378 2.638 -8.901 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.796 1.182 -9.490 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.329 0.372 -9.741 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.626 2.906 -10.963 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.010 2.377 -11.387 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.948 0.189 -12.163 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.560 0.757 -11.778 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.606 2.827 -13.343 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.808 1.446 -14.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.948 1.859 -15.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.965 0.357 -14.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.738 1.695 -13.598 1.00 0.00 H new ATOM 778 N ASN A 55 -10.840 1.774 -6.185 1.00 0.00 N ATOM 779 CA ASN A 55 -11.163 0.992 -4.997 1.00 0.00 C ATOM 780 C ASN A 55 -12.042 1.794 -4.042 1.00 0.00 C ATOM 781 O ASN A 55 -11.894 3.010 -3.919 1.00 0.00 O ATOM 782 CB ASN A 55 -9.884 0.553 -4.284 1.00 0.00 C ATOM 783 CG ASN A 55 -9.269 -0.685 -4.910 1.00 0.00 C ATOM 784 OD1 ASN A 55 -9.972 -1.523 -5.474 1.00 0.00 O ATOM 785 ND2 ASN A 55 -7.951 -0.804 -4.810 1.00 0.00 N ATOM 0 H ASN A 55 -10.637 2.757 -6.002 1.00 0.00 H new ATOM 0 HA ASN A 55 -11.714 0.107 -5.314 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.160 1.367 -4.308 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.106 0.355 -3.235 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.480 -1.616 -5.210 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.409 -0.084 -4.333 1.00 0.00 H new ATOM 792 N ASP A 56 -12.956 1.105 -3.366 1.00 0.00 N ATOM 793 CA ASP A 56 -13.858 1.753 -2.421 1.00 0.00 C ATOM 794 C ASP A 56 -13.317 1.655 -0.999 1.00 0.00 C ATOM 795 O ASP A 56 -13.549 2.538 -0.173 1.00 0.00 O ATOM 796 CB ASP A 56 -15.249 1.122 -2.497 1.00 0.00 C ATOM 797 CG ASP A 56 -15.226 -0.364 -2.195 1.00 0.00 C ATOM 798 OD1 ASP A 56 -14.577 -1.114 -2.954 1.00 0.00 O ATOM 799 OD2 ASP A 56 -15.856 -0.777 -1.200 1.00 0.00 O ATOM 0 H ASP A 56 -13.091 0.098 -3.455 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.931 2.807 -2.690 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.912 1.623 -1.792 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.664 1.282 -3.492 1.00 0.00 H new ATOM 804 N GLY A 57 -12.597 0.574 -0.718 1.00 0.00 N ATOM 805 CA GLY A 57 -12.035 0.379 0.606 1.00 0.00 C ATOM 806 C GLY A 57 -11.840 -1.086 0.945 1.00 0.00 C ATOM 807 O GLY A 57 -10.961 -1.436 1.731 1.00 0.00 O ATOM 0 H GLY A 57 -12.392 -0.171 -1.384 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -11.076 0.894 0.669 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -12.692 0.836 1.347 1.00 0.00 H new ATOM 811 N ALA A 58 -12.662 -1.944 0.349 1.00 0.00 N ATOM 812 CA ALA A 58 -12.575 -3.378 0.592 1.00 0.00 C ATOM 813 C ALA A 58 -12.527 -4.156 -0.719 1.00 0.00 C ATOM 814 O ALA A 58 -13.139 -3.759 -1.710 1.00 0.00 O ATOM 815 CB ALA A 58 -13.752 -3.841 1.439 1.00 0.00 C ATOM 0 H ALA A 58 -13.395 -1.670 -0.305 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.650 -3.574 1.134 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.675 -4.914 1.613 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.741 -3.317 2.394 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.684 -3.624 0.917 1.00 0.00 H new ATOM 821 N VAL A 59 -11.794 -5.264 -0.718 1.00 0.00 N ATOM 822 CA VAL A 59 -11.665 -6.097 -1.906 1.00 0.00 C ATOM 823 C VAL A 59 -11.723 -7.578 -1.549 1.00 0.00 C ATOM 824 O VAL A 59 -10.778 -8.130 -0.987 1.00 0.00 O ATOM 825 CB VAL A 59 -10.348 -5.813 -2.652 1.00 0.00 C ATOM 826 CG1 VAL A 59 -10.321 -6.540 -3.987 1.00 0.00 C ATOM 827 CG2 VAL A 59 -10.156 -4.317 -2.845 1.00 0.00 C ATOM 0 H VAL A 59 -11.280 -5.606 0.094 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.504 -5.849 -2.557 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.522 -6.186 -2.047 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.383 -6.327 -4.499 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.406 -7.614 -3.818 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -11.155 -6.202 -4.602 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.220 -4.135 -3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.986 -3.916 -3.427 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.124 -3.826 -1.872 1.00 0.00 H new ATOM 837 N GLY A 60 -12.842 -8.217 -1.877 1.00 0.00 N ATOM 838 CA GLY A 60 -13.003 -9.628 -1.583 1.00 0.00 C ATOM 839 C GLY A 60 -13.618 -9.869 -0.218 1.00 0.00 C ATOM 840 O GLY A 60 -14.643 -9.276 0.122 1.00 0.00 O ATOM 0 H GLY A 60 -13.639 -7.782 -2.341 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.631 -10.086 -2.347 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.031 -10.120 -1.632 1.00 0.00 H new ATOM 844 N ASP A 61 -12.993 -10.741 0.566 1.00 0.00 N ATOM 845 CA ASP A 61 -13.485 -11.059 1.902 1.00 0.00 C ATOM 846 C ASP A 61 -12.555 -10.495 2.972 1.00 0.00 C ATOM 847 O ASP A 61 -12.436 -11.054 4.062 1.00 0.00 O ATOM 848 CB ASP A 61 -13.620 -12.574 2.069 1.00 0.00 C ATOM 849 CG ASP A 61 -15.048 -13.050 1.881 1.00 0.00 C ATOM 850 OD1 ASP A 61 -15.630 -12.772 0.811 1.00 0.00 O ATOM 851 OD2 ASP A 61 -15.584 -13.700 2.804 1.00 0.00 O ATOM 0 H ASP A 61 -12.144 -11.240 0.299 1.00 0.00 H new ATOM 0 HA ASP A 61 -14.466 -10.599 2.022 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.975 -13.076 1.348 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.272 -12.860 3.061 1.00 0.00 H new ATOM 856 N LYS A 62 -11.898 -9.384 2.654 1.00 0.00 N ATOM 857 CA LYS A 62 -10.980 -8.746 3.590 1.00 0.00 C ATOM 858 C LYS A 62 -10.964 -7.234 3.391 1.00 0.00 C ATOM 859 O LYS A 62 -11.374 -6.732 2.344 1.00 0.00 O ATOM 860 CB LYS A 62 -9.569 -9.309 3.417 1.00 0.00 C ATOM 861 CG LYS A 62 -8.773 -9.366 4.711 1.00 0.00 C ATOM 862 CD LYS A 62 -7.345 -9.828 4.467 1.00 0.00 C ATOM 863 CE LYS A 62 -6.662 -10.230 5.764 1.00 0.00 C ATOM 864 NZ LYS A 62 -5.494 -11.123 5.524 1.00 0.00 N ATOM 0 H LYS A 62 -11.984 -8.908 1.756 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.327 -8.958 4.601 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.636 -10.313 2.997 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.029 -8.697 2.695 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.763 -8.381 5.177 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.262 -10.044 5.410 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.347 -10.673 3.778 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.779 -9.028 3.989 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.332 -9.336 6.293 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.379 -10.736 6.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.056 -11.374 6.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.812 -11.988 5.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.797 -10.631 4.929 1.00 0.00 H new ATOM 878 N ARG A 63 -10.489 -6.514 4.401 1.00 0.00 N ATOM 879 CA ARG A 63 -10.419 -5.059 4.339 1.00 0.00 C ATOM 880 C ARG A 63 -8.976 -4.578 4.450 1.00 0.00 C ATOM 881 O ARG A 63 -8.096 -5.320 4.889 1.00 0.00 O ATOM 882 CB ARG A 63 -11.265 -4.439 5.453 1.00 0.00 C ATOM 883 CG ARG A 63 -12.115 -3.267 4.991 1.00 0.00 C ATOM 884 CD ARG A 63 -13.568 -3.671 4.797 1.00 0.00 C ATOM 885 NE ARG A 63 -14.409 -3.243 5.913 1.00 0.00 N ATOM 886 CZ ARG A 63 -15.735 -3.140 5.846 1.00 0.00 C ATOM 887 NH1 ARG A 63 -16.374 -3.433 4.720 1.00 0.00 N ATOM 888 NH2 ARG A 63 -16.423 -2.743 6.907 1.00 0.00 N ATOM 0 H ARG A 63 -10.146 -6.915 5.274 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.814 -4.742 3.374 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.916 -5.206 5.873 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.607 -4.106 6.255 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.055 -2.462 5.724 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.718 -2.875 4.055 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -13.945 -3.236 3.871 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -13.632 -4.754 4.689 1.00 0.00 H new ATOM 0 HE ARG A 63 -13.953 -3.009 6.795 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -15.849 -3.739 3.901 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -17.390 -3.352 4.674 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -15.937 -2.516 7.775 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -17.439 -2.664 6.856 1.00 0.00 H new ATOM 902 N TYR A 64 -8.739 -3.334 4.049 1.00 0.00 N ATOM 903 CA TYR A 64 -7.402 -2.753 4.105 1.00 0.00 C ATOM 904 C TYR A 64 -7.452 -1.322 4.625 1.00 0.00 C ATOM 905 O TYR A 64 -6.676 -0.940 5.502 1.00 0.00 O ATOM 906 CB TYR A 64 -6.752 -2.783 2.720 1.00 0.00 C ATOM 907 CG TYR A 64 -6.609 -4.174 2.146 1.00 0.00 C ATOM 908 CD1 TYR A 64 -5.528 -4.978 2.488 1.00 0.00 C ATOM 909 CD2 TYR A 64 -7.552 -4.684 1.264 1.00 0.00 C ATOM 910 CE1 TYR A 64 -5.392 -6.250 1.966 1.00 0.00 C ATOM 911 CE2 TYR A 64 -7.424 -5.955 0.739 1.00 0.00 C ATOM 912 CZ TYR A 64 -6.342 -6.735 1.092 1.00 0.00 C ATOM 913 OH TYR A 64 -6.210 -8.000 0.570 1.00 0.00 O ATOM 0 H TYR A 64 -9.455 -2.708 3.681 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.803 -3.349 4.793 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -7.346 -2.177 2.036 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -5.766 -2.322 2.781 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -4.782 -4.602 3.173 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.400 -4.077 0.984 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -4.546 -6.862 2.241 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -8.168 -6.337 0.055 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.964 -8.188 -0.027 1.00 0.00 H new ATOM 923 N PHE A 65 -8.372 -0.532 4.081 1.00 0.00 N ATOM 924 CA PHE A 65 -8.526 0.859 4.489 1.00 0.00 C ATOM 925 C PHE A 65 -9.987 1.291 4.409 1.00 0.00 C ATOM 926 O PHE A 65 -10.796 0.655 3.734 1.00 0.00 O ATOM 927 CB PHE A 65 -7.664 1.769 3.612 1.00 0.00 C ATOM 928 CG PHE A 65 -7.766 1.461 2.145 1.00 0.00 C ATOM 929 CD1 PHE A 65 -8.730 2.073 1.360 1.00 0.00 C ATOM 930 CD2 PHE A 65 -6.899 0.558 1.551 1.00 0.00 C ATOM 931 CE1 PHE A 65 -8.827 1.792 0.011 1.00 0.00 C ATOM 932 CE2 PHE A 65 -6.991 0.272 0.202 1.00 0.00 C ATOM 933 CZ PHE A 65 -7.957 0.890 -0.569 1.00 0.00 C ATOM 0 H PHE A 65 -9.023 -0.832 3.355 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.196 0.946 5.524 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.958 2.805 3.779 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.623 1.679 3.922 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.414 2.778 1.808 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.142 0.072 2.149 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -9.582 2.277 -0.589 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.309 -0.434 -0.249 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.031 0.668 -1.623 1.00 0.00 H new ATOM 943 N THR A 66 -10.317 2.377 5.101 1.00 0.00 N ATOM 944 CA THR A 66 -11.681 2.892 5.108 1.00 0.00 C ATOM 945 C THR A 66 -11.743 4.274 4.463 1.00 0.00 C ATOM 946 O THR A 66 -11.378 5.274 5.080 1.00 0.00 O ATOM 947 CB THR A 66 -12.215 2.961 6.540 1.00 0.00 C ATOM 948 OG1 THR A 66 -13.449 3.656 6.582 1.00 0.00 O ATOM 949 CG2 THR A 66 -11.268 3.647 7.500 1.00 0.00 C ATOM 0 H THR A 66 -9.659 2.917 5.663 1.00 0.00 H new ATOM 0 HA THR A 66 -12.304 2.211 4.528 1.00 0.00 H new ATOM 0 HB THR A 66 -12.335 1.924 6.854 1.00 0.00 H new ATOM 0 HG1 THR A 66 -13.775 3.688 7.506 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.708 3.662 8.497 1.00 0.00 H new ATOM 0 HG22 THR A 66 -10.323 3.105 7.528 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.090 4.670 7.167 1.00 0.00 H new ATOM 957 N CYS A 67 -12.208 4.320 3.220 1.00 0.00 N ATOM 958 CA CYS A 67 -12.318 5.579 2.491 1.00 0.00 C ATOM 959 C CYS A 67 -13.574 5.601 1.626 1.00 0.00 C ATOM 960 O CYS A 67 -14.410 4.700 1.705 1.00 0.00 O ATOM 961 CB CYS A 67 -11.079 5.797 1.620 1.00 0.00 C ATOM 962 SG CYS A 67 -10.464 7.498 1.627 1.00 0.00 S ATOM 0 H CYS A 67 -12.515 3.501 2.696 1.00 0.00 H new ATOM 0 HA CYS A 67 -12.389 6.387 3.219 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -10.285 5.133 1.963 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -11.313 5.511 0.595 1.00 0.00 H new ATOM 0 HG CYS A 67 -9.646 7.660 2.624 1.00 0.00 H new ATOM 968 N LYS A 68 -13.699 6.634 0.801 1.00 0.00 N ATOM 969 CA LYS A 68 -14.853 6.776 -0.081 1.00 0.00 C ATOM 970 C LYS A 68 -14.680 5.935 -1.344 1.00 0.00 C ATOM 971 O LYS A 68 -13.602 5.400 -1.601 1.00 0.00 O ATOM 972 CB LYS A 68 -15.057 8.245 -0.454 1.00 0.00 C ATOM 973 CG LYS A 68 -16.015 8.980 0.470 1.00 0.00 C ATOM 974 CD LYS A 68 -17.354 9.241 -0.203 1.00 0.00 C ATOM 975 CE LYS A 68 -18.297 10.006 0.711 1.00 0.00 C ATOM 976 NZ LYS A 68 -18.538 9.282 1.991 1.00 0.00 N ATOM 0 H LYS A 68 -13.015 7.387 0.724 1.00 0.00 H new ATOM 0 HA LYS A 68 -15.734 6.419 0.452 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.092 8.752 -0.441 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -15.434 8.303 -1.475 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.171 8.393 1.375 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -15.571 9.927 0.777 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -17.197 9.807 -1.121 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -17.811 8.293 -0.487 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -17.878 10.990 0.923 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -19.246 10.167 0.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -19.354 9.703 2.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -18.733 8.280 1.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.695 9.357 2.596 1.00 0.00 H new ATOM 990 N PRO A 69 -15.747 5.807 -2.152 1.00 0.00 N ATOM 991 CA PRO A 69 -15.710 5.026 -3.394 1.00 0.00 C ATOM 992 C PRO A 69 -14.683 5.564 -4.385 1.00 0.00 C ATOM 993 O PRO A 69 -14.712 6.741 -4.746 1.00 0.00 O ATOM 994 CB PRO A 69 -17.127 5.173 -3.963 1.00 0.00 C ATOM 995 CG PRO A 69 -17.969 5.594 -2.807 1.00 0.00 C ATOM 996 CD PRO A 69 -17.071 6.407 -1.920 1.00 0.00 C ATOM 0 HA PRO A 69 -15.419 3.992 -3.210 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -17.156 5.914 -4.762 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -17.481 4.233 -4.387 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -18.825 6.181 -3.140 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -18.364 4.728 -2.275 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -17.088 7.463 -2.188 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -17.368 6.338 -0.873 1.00 0.00 H new ATOM 1004 N ASN A 70 -13.778 4.695 -4.823 1.00 0.00 N ATOM 1005 CA ASN A 70 -12.743 5.080 -5.776 1.00 0.00 C ATOM 1006 C ASN A 70 -11.839 6.165 -5.195 1.00 0.00 C ATOM 1007 O ASN A 70 -11.621 7.204 -5.816 1.00 0.00 O ATOM 1008 CB ASN A 70 -13.378 5.570 -7.079 1.00 0.00 C ATOM 1009 CG ASN A 70 -14.152 4.479 -7.793 1.00 0.00 C ATOM 1010 OD1 ASN A 70 -13.741 3.318 -7.805 1.00 0.00 O ATOM 1011 ND2 ASN A 70 -15.277 4.847 -8.393 1.00 0.00 N ATOM 0 H ASN A 70 -13.740 3.718 -4.533 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.133 4.201 -5.985 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -14.046 6.403 -6.863 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.598 5.950 -7.739 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -15.839 4.156 -8.890 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -15.579 5.821 -8.357 1.00 0.00 H new ATOM 1018 N TYR A 71 -11.312 5.912 -4.001 1.00 0.00 N ATOM 1019 CA TYR A 71 -10.426 6.866 -3.340 1.00 0.00 C ATOM 1020 C TYR A 71 -9.064 6.239 -3.062 1.00 0.00 C ATOM 1021 O TYR A 71 -8.026 6.872 -3.259 1.00 0.00 O ATOM 1022 CB TYR A 71 -11.053 7.356 -2.032 1.00 0.00 C ATOM 1023 CG TYR A 71 -11.796 8.665 -2.170 1.00 0.00 C ATOM 1024 CD1 TYR A 71 -13.014 8.730 -2.835 1.00 0.00 C ATOM 1025 CD2 TYR A 71 -11.278 9.840 -1.635 1.00 0.00 C ATOM 1026 CE1 TYR A 71 -13.695 9.925 -2.963 1.00 0.00 C ATOM 1027 CE2 TYR A 71 -11.954 11.038 -1.759 1.00 0.00 C ATOM 1028 CZ TYR A 71 -13.161 11.075 -2.423 1.00 0.00 C ATOM 1029 OH TYR A 71 -13.838 12.268 -2.548 1.00 0.00 O ATOM 0 H TYR A 71 -11.482 5.057 -3.472 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.285 7.716 -4.007 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.740 6.595 -1.661 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.269 7.470 -1.283 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -13.436 7.831 -3.259 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.332 9.815 -1.114 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.641 9.958 -3.483 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.539 11.941 -1.338 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.327 12.981 -2.112 1.00 0.00 H new ATOM 1039 N GLY A 72 -9.074 4.990 -2.605 1.00 0.00 N ATOM 1040 CA GLY A 72 -7.834 4.297 -2.310 1.00 0.00 C ATOM 1041 C GLY A 72 -7.323 3.495 -3.489 1.00 0.00 C ATOM 1042 O GLY A 72 -8.009 3.366 -4.505 1.00 0.00 O ATOM 0 H GLY A 72 -9.920 4.446 -2.434 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.077 5.023 -2.013 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.987 3.631 -1.461 1.00 0.00 H new ATOM 1046 N VAL A 73 -6.118 2.955 -3.358 1.00 0.00 N ATOM 1047 CA VAL A 73 -5.516 2.160 -4.422 1.00 0.00 C ATOM 1048 C VAL A 73 -4.592 1.089 -3.855 1.00 0.00 C ATOM 1049 O VAL A 73 -3.905 1.312 -2.859 1.00 0.00 O ATOM 1050 CB VAL A 73 -4.719 3.044 -5.401 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -5.660 3.831 -6.299 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -3.789 3.977 -4.641 1.00 0.00 C ATOM 0 H VAL A 73 -5.537 3.053 -2.525 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.334 1.681 -4.959 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.110 2.397 -6.033 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.078 4.449 -6.983 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.279 3.140 -6.871 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.298 4.469 -5.687 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.234 4.593 -5.348 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.375 4.618 -3.983 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.090 3.389 -4.046 1.00 0.00 H new ATOM 1062 N LEU A 74 -4.581 -0.075 -4.497 1.00 0.00 N ATOM 1063 CA LEU A 74 -3.740 -1.182 -4.057 1.00 0.00 C ATOM 1064 C LEU A 74 -2.472 -1.271 -4.900 1.00 0.00 C ATOM 1065 O LEU A 74 -2.535 -1.427 -6.120 1.00 0.00 O ATOM 1066 CB LEU A 74 -4.514 -2.501 -4.135 1.00 0.00 C ATOM 1067 CG LEU A 74 -5.293 -2.870 -2.873 1.00 0.00 C ATOM 1068 CD1 LEU A 74 -6.427 -3.827 -3.207 1.00 0.00 C ATOM 1069 CD2 LEU A 74 -4.364 -3.483 -1.835 1.00 0.00 C ATOM 0 H LEU A 74 -5.145 -0.276 -5.323 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.453 -0.998 -3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.211 -2.446 -4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.812 -3.304 -4.358 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.724 -1.960 -2.455 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.971 -4.079 -2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.106 -3.353 -3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.018 -4.736 -3.648 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.935 -3.740 -0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.905 -4.383 -2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.586 -2.765 -1.574 1.00 0.00 H new ATOM 1081 N VAL A 75 -1.322 -1.173 -4.242 1.00 0.00 N ATOM 1082 CA VAL A 75 -0.039 -1.243 -4.931 1.00 0.00 C ATOM 1083 C VAL A 75 0.987 -2.010 -4.104 1.00 0.00 C ATOM 1084 O VAL A 75 0.844 -2.147 -2.889 1.00 0.00 O ATOM 1085 CB VAL A 75 0.513 0.162 -5.236 1.00 0.00 C ATOM 1086 CG1 VAL A 75 -0.248 0.795 -6.392 1.00 0.00 C ATOM 1087 CG2 VAL A 75 0.445 1.044 -3.998 1.00 0.00 C ATOM 0 H VAL A 75 -1.252 -1.045 -3.232 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.213 -1.769 -5.870 1.00 0.00 H new ATOM 0 HB VAL A 75 1.559 0.066 -5.528 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.156 1.787 -6.593 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.143 0.173 -7.281 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.303 0.879 -6.131 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.839 2.032 -4.233 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.591 1.135 -3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.038 0.597 -3.200 1.00 0.00 H new ATOM 1097 N ARG A 76 2.020 -2.511 -4.772 1.00 0.00 N ATOM 1098 CA ARG A 76 3.071 -3.268 -4.102 1.00 0.00 C ATOM 1099 C ARG A 76 4.286 -2.388 -3.821 1.00 0.00 C ATOM 1100 O ARG A 76 4.569 -1.450 -4.564 1.00 0.00 O ATOM 1101 CB ARG A 76 3.486 -4.468 -4.956 1.00 0.00 C ATOM 1102 CG ARG A 76 2.643 -5.709 -4.716 1.00 0.00 C ATOM 1103 CD ARG A 76 3.458 -6.979 -4.896 1.00 0.00 C ATOM 1104 NE ARG A 76 2.631 -8.179 -4.801 1.00 0.00 N ATOM 1105 CZ ARG A 76 2.996 -9.370 -5.271 1.00 0.00 C ATOM 1106 NH1 ARG A 76 4.171 -9.525 -5.869 1.00 0.00 N ATOM 1107 NH2 ARG A 76 2.184 -10.410 -5.143 1.00 0.00 N ATOM 0 H ARG A 76 2.152 -2.406 -5.778 1.00 0.00 H new ATOM 0 HA ARG A 76 2.675 -3.624 -3.151 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.421 -4.193 -6.009 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.530 -4.704 -4.752 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.230 -5.680 -3.708 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.799 -5.716 -5.406 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.954 -6.957 -5.866 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.241 -7.018 -4.139 1.00 0.00 H new ATOM 0 HE ARG A 76 1.720 -8.100 -4.348 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.800 -8.729 -5.971 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.444 -10.440 -6.227 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.280 -10.298 -4.685 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.463 -11.323 -5.503 1.00 0.00 H new ATOM 1121 N PRO A 77 5.026 -2.681 -2.736 1.00 0.00 N ATOM 1122 CA PRO A 77 6.217 -1.915 -2.368 1.00 0.00 C ATOM 1123 C PRO A 77 7.112 -1.680 -3.575 1.00 0.00 C ATOM 1124 O PRO A 77 7.425 -0.543 -3.924 1.00 0.00 O ATOM 1125 CB PRO A 77 6.911 -2.814 -1.346 1.00 0.00 C ATOM 1126 CG PRO A 77 5.803 -3.588 -0.717 1.00 0.00 C ATOM 1127 CD PRO A 77 4.765 -3.785 -1.791 1.00 0.00 C ATOM 0 HA PRO A 77 5.980 -0.925 -1.979 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.635 -3.474 -1.824 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.455 -2.227 -0.606 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.162 -4.547 -0.342 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.386 -3.049 0.134 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.867 -4.757 -2.273 1.00 0.00 H new ATOM 0 HD3 PRO A 77 3.755 -3.735 -1.385 1.00 0.00 H new ATOM 1135 N SER A 78 7.498 -2.776 -4.223 1.00 0.00 N ATOM 1136 CA SER A 78 8.332 -2.703 -5.411 1.00 0.00 C ATOM 1137 C SER A 78 7.654 -1.834 -6.463 1.00 0.00 C ATOM 1138 O SER A 78 8.314 -1.263 -7.331 1.00 0.00 O ATOM 1139 CB SER A 78 8.591 -4.103 -5.971 1.00 0.00 C ATOM 1140 OG SER A 78 9.852 -4.169 -6.616 1.00 0.00 O ATOM 0 H SER A 78 7.245 -3.723 -3.943 1.00 0.00 H new ATOM 0 HA SER A 78 9.290 -2.258 -5.142 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.553 -4.834 -5.163 1.00 0.00 H new ATOM 0 HB3 SER A 78 7.804 -4.367 -6.677 1.00 0.00 H new ATOM 0 HG SER A 78 9.995 -5.074 -6.964 1.00 0.00 H new ATOM 1146 N ARG A 79 6.329 -1.725 -6.363 1.00 0.00 N ATOM 1147 CA ARG A 79 5.566 -0.908 -7.292 1.00 0.00 C ATOM 1148 C ARG A 79 5.499 0.536 -6.800 1.00 0.00 C ATOM 1149 O ARG A 79 5.087 1.432 -7.537 1.00 0.00 O ATOM 1150 CB ARG A 79 4.152 -1.470 -7.469 1.00 0.00 C ATOM 1151 CG ARG A 79 4.048 -2.525 -8.558 1.00 0.00 C ATOM 1152 CD ARG A 79 3.737 -1.903 -9.911 1.00 0.00 C ATOM 1153 NE ARG A 79 2.368 -2.178 -10.337 1.00 0.00 N ATOM 1154 CZ ARG A 79 1.908 -3.397 -10.615 1.00 0.00 C ATOM 1155 NH1 ARG A 79 2.705 -4.454 -10.516 1.00 0.00 N ATOM 1156 NH2 ARG A 79 0.647 -3.559 -10.994 1.00 0.00 N ATOM 0 H ARG A 79 5.769 -2.192 -5.650 1.00 0.00 H new ATOM 0 HA ARG A 79 6.071 -0.927 -8.258 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.821 -1.901 -6.524 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.471 -0.651 -7.702 1.00 0.00 H new ATOM 0 HG2 ARG A 79 4.984 -3.080 -8.618 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.269 -3.242 -8.298 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.891 -0.825 -9.859 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.433 -2.289 -10.656 1.00 0.00 H new ATOM 0 HE ARG A 79 1.726 -1.391 -10.427 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.676 -4.335 -10.226 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.347 -5.385 -10.730 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.030 -2.750 -11.072 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.294 -4.492 -11.207 1.00 0.00 H new ATOM 1170 N VAL A 80 5.909 0.759 -5.549 1.00 0.00 N ATOM 1171 CA VAL A 80 5.893 2.101 -4.974 1.00 0.00 C ATOM 1172 C VAL A 80 7.270 2.491 -4.450 1.00 0.00 C ATOM 1173 O VAL A 80 8.223 1.718 -4.541 1.00 0.00 O ATOM 1174 CB VAL A 80 4.872 2.216 -3.827 1.00 0.00 C ATOM 1175 CG1 VAL A 80 3.456 2.032 -4.351 1.00 0.00 C ATOM 1176 CG2 VAL A 80 5.179 1.206 -2.733 1.00 0.00 C ATOM 0 H VAL A 80 6.253 0.032 -4.921 1.00 0.00 H new ATOM 0 HA VAL A 80 5.603 2.780 -5.776 1.00 0.00 H new ATOM 0 HB VAL A 80 4.949 3.215 -3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.749 2.117 -3.526 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.240 2.800 -5.094 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.363 1.047 -4.809 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.446 1.303 -1.932 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.134 0.198 -3.145 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.177 1.391 -2.336 1.00 0.00 H new ATOM 1186 N THR A 81 7.368 3.699 -3.903 1.00 0.00 N ATOM 1187 CA THR A 81 8.630 4.193 -3.366 1.00 0.00 C ATOM 1188 C THR A 81 8.388 5.284 -2.328 1.00 0.00 C ATOM 1189 O THR A 81 7.248 5.678 -2.079 1.00 0.00 O ATOM 1190 CB THR A 81 9.512 4.733 -4.492 1.00 0.00 C ATOM 1191 OG1 THR A 81 8.721 5.306 -5.519 1.00 0.00 O ATOM 1192 CG2 THR A 81 10.389 3.674 -5.126 1.00 0.00 C ATOM 0 H THR A 81 6.589 4.353 -3.820 1.00 0.00 H new ATOM 0 HA THR A 81 9.141 3.361 -2.882 1.00 0.00 H new ATOM 0 HB THR A 81 10.152 5.480 -4.023 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.304 5.647 -6.229 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.989 4.124 -5.917 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.047 3.246 -4.370 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.763 2.888 -5.548 1.00 0.00 H new