USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 530 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 SER OG : rot -160:sc= -0.0397 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= -0.485 K(o=-0.025,f=-1.1!) USER MOD Set 2.2: A 29 THR OG1 : rot -84:sc= 0.46 USER MOD Single : A 14 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.32) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -63:sc= 1.13 USER MOD Single : A 23 SER OG : rot 180:sc= -0.192 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc=-0.00556 X(o=-0.0056,f=-0.41) USER MOD Single : A 27 MET CE :methyl -126:sc= 0 (180deg=-0.0173) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -127:sc= 1.42 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= -0.555 X(o=-0.55,f=-1) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0.495 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 14:sc= 0.424 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.314 K(o=-0.31,f=-1.7) 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 28:sc= 0.0537 USER MOD ----------------------------------------------------------------- ATOM 142 N LEU A 13 7.866 -1.086 4.630 1.00 0.00 N ATOM 143 CA LEU A 13 7.181 0.154 4.978 1.00 0.00 C ATOM 144 C LEU A 13 6.500 0.036 6.337 1.00 0.00 C ATOM 145 O LEU A 13 6.610 -0.989 7.011 1.00 0.00 O ATOM 146 CB LEU A 13 6.146 0.507 3.907 1.00 0.00 C ATOM 147 CG LEU A 13 6.719 0.736 2.503 1.00 0.00 C ATOM 148 CD1 LEU A 13 6.336 -0.408 1.576 1.00 0.00 C ATOM 149 CD2 LEU A 13 6.239 2.064 1.939 1.00 0.00 C ATOM 0 HA LEU A 13 7.926 0.948 5.031 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.410 -0.295 3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.616 1.407 4.218 1.00 0.00 H new ATOM 0 HG LEU A 13 7.806 0.768 2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.752 -0.228 0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.732 -1.344 1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.250 -0.473 1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.656 2.208 0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.151 2.062 1.880 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.566 2.875 2.590 1.00 0.00 H new ATOM 161 N HIS A 14 5.797 1.091 6.735 1.00 0.00 N ATOM 162 CA HIS A 14 5.100 1.106 8.015 1.00 0.00 C ATOM 163 C HIS A 14 3.682 1.649 7.854 1.00 0.00 C ATOM 164 O HIS A 14 3.233 1.920 6.741 1.00 0.00 O ATOM 165 CB HIS A 14 5.873 1.950 9.033 1.00 0.00 C ATOM 166 CG HIS A 14 6.281 1.186 10.255 1.00 0.00 C ATOM 167 ND1 HIS A 14 6.712 -0.122 10.235 1.00 0.00 N ATOM 168 CD2 HIS A 14 6.321 1.574 11.555 1.00 0.00 C ATOM 169 CE1 HIS A 14 6.992 -0.480 11.495 1.00 0.00 C ATOM 170 NE2 HIS A 14 6.772 0.513 12.334 1.00 0.00 N ATOM 0 H HIS A 14 5.695 1.947 6.189 1.00 0.00 H new ATOM 0 HA HIS A 14 5.038 0.081 8.380 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.764 2.357 8.554 1.00 0.00 H new ATOM 0 HB3 HIS A 14 5.257 2.798 9.333 1.00 0.00 H new ATOM 0 HD2 HIS A 14 6.047 2.551 11.926 1.00 0.00 H new ATOM 0 HE1 HIS A 14 7.352 -1.456 11.786 1.00 0.00 H new ATOM 0 HE2 HIS A 14 6.905 0.505 13.345 1.00 0.00 H new ATOM 178 N GLU A 15 2.982 1.805 8.973 1.00 0.00 N ATOM 179 CA GLU A 15 1.617 2.315 8.954 1.00 0.00 C ATOM 180 C GLU A 15 1.600 3.831 9.118 1.00 0.00 C ATOM 181 O GLU A 15 2.372 4.391 9.896 1.00 0.00 O ATOM 182 CB GLU A 15 0.790 1.659 10.064 1.00 0.00 C ATOM 183 CG GLU A 15 0.019 0.433 9.603 1.00 0.00 C ATOM 184 CD GLU A 15 -0.738 -0.237 10.732 1.00 0.00 C ATOM 185 OE1 GLU A 15 -1.094 0.461 11.705 1.00 0.00 O ATOM 186 OE2 GLU A 15 -0.975 -1.460 10.643 1.00 0.00 O ATOM 0 H GLU A 15 3.338 1.586 9.903 1.00 0.00 H new ATOM 0 HA GLU A 15 1.176 2.068 7.988 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.454 1.375 10.881 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.088 2.391 10.464 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.683 0.723 8.821 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.712 -0.282 9.160 1.00 0.00 H new ATOM 193 N GLY A 16 0.713 4.492 8.380 1.00 0.00 N ATOM 194 CA GLY A 16 0.612 5.937 8.457 1.00 0.00 C ATOM 195 C GLY A 16 1.780 6.636 7.792 1.00 0.00 C ATOM 196 O GLY A 16 2.192 7.714 8.218 1.00 0.00 O ATOM 0 H GLY A 16 0.062 4.051 7.730 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.316 6.259 7.985 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.559 6.239 9.503 1.00 0.00 H new ATOM 200 N SER A 17 2.316 6.021 6.743 1.00 0.00 N ATOM 201 CA SER A 17 3.444 6.592 6.016 1.00 0.00 C ATOM 202 C SER A 17 3.006 7.102 4.647 1.00 0.00 C ATOM 203 O SER A 17 1.850 6.942 4.254 1.00 0.00 O ATOM 204 CB SER A 17 4.552 5.549 5.853 1.00 0.00 C ATOM 205 OG SER A 17 5.487 5.629 6.915 1.00 0.00 O ATOM 0 H SER A 17 1.987 5.127 6.377 1.00 0.00 H new ATOM 0 HA SER A 17 3.828 7.434 6.592 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.115 4.551 5.823 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.063 5.702 4.902 1.00 0.00 H new ATOM 0 HG SER A 17 6.184 4.952 6.789 1.00 0.00 H new ATOM 211 N GLN A 18 3.937 7.719 3.926 1.00 0.00 N ATOM 212 CA GLN A 18 3.647 8.254 2.600 1.00 0.00 C ATOM 213 C GLN A 18 4.499 7.567 1.538 1.00 0.00 C ATOM 214 O GLN A 18 5.622 7.142 1.808 1.00 0.00 O ATOM 215 CB GLN A 18 3.895 9.763 2.573 1.00 0.00 C ATOM 216 CG GLN A 18 3.183 10.518 3.683 1.00 0.00 C ATOM 217 CD GLN A 18 1.682 10.580 3.477 1.00 0.00 C ATOM 218 OE1 GLN A 18 0.907 10.206 4.357 1.00 0.00 O ATOM 219 NE2 GLN A 18 1.264 11.053 2.309 1.00 0.00 N ATOM 0 H GLN A 18 4.898 7.861 4.237 1.00 0.00 H new ATOM 0 HA GLN A 18 2.598 8.061 2.378 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.967 9.948 2.649 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.571 10.159 1.610 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.395 10.038 4.638 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.580 11.531 3.741 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.942 11.352 1.608 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.265 11.117 2.113 1.00 0.00 H new ATOM 228 N VAL A 19 3.957 7.462 0.329 1.00 0.00 N ATOM 229 CA VAL A 19 4.666 6.826 -0.773 1.00 0.00 C ATOM 230 C VAL A 19 4.333 7.498 -2.101 1.00 0.00 C ATOM 231 O VAL A 19 3.533 8.432 -2.151 1.00 0.00 O ATOM 232 CB VAL A 19 4.327 5.327 -0.871 1.00 0.00 C ATOM 233 CG1 VAL A 19 4.861 4.577 0.339 1.00 0.00 C ATOM 234 CG2 VAL A 19 2.826 5.127 -1.012 1.00 0.00 C ATOM 0 H VAL A 19 3.029 7.810 0.089 1.00 0.00 H new ATOM 0 HA VAL A 19 5.731 6.937 -0.568 1.00 0.00 H new ATOM 0 HB VAL A 19 4.809 4.922 -1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.611 3.520 0.251 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.944 4.691 0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.411 4.982 1.246 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.606 4.062 -1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.320 5.548 -0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.475 5.628 -1.914 1.00 0.00 H new ATOM 244 N LEU A 20 4.951 7.017 -3.174 1.00 0.00 N ATOM 245 CA LEU A 20 4.719 7.571 -4.504 1.00 0.00 C ATOM 246 C LEU A 20 4.735 6.473 -5.561 1.00 0.00 C ATOM 247 O LEU A 20 5.643 5.643 -5.594 1.00 0.00 O ATOM 248 CB LEU A 20 5.778 8.626 -4.831 1.00 0.00 C ATOM 249 CG LEU A 20 5.659 9.252 -6.222 1.00 0.00 C ATOM 250 CD1 LEU A 20 4.345 10.007 -6.357 1.00 0.00 C ATOM 251 CD2 LEU A 20 6.837 10.176 -6.491 1.00 0.00 C ATOM 0 H LEU A 20 5.617 6.245 -3.149 1.00 0.00 H new ATOM 0 HA LEU A 20 3.735 8.040 -4.509 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.721 9.419 -4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.764 8.171 -4.737 1.00 0.00 H new ATOM 0 HG LEU A 20 5.672 8.453 -6.963 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.278 10.445 -7.353 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.513 9.319 -6.207 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.301 10.798 -5.608 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.737 10.613 -7.485 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.854 10.971 -5.745 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.765 9.607 -6.437 1.00 0.00 H new ATOM 263 N LEU A 21 3.723 6.473 -6.423 1.00 0.00 N ATOM 264 CA LEU A 21 3.621 5.476 -7.482 1.00 0.00 C ATOM 265 C LEU A 21 4.584 5.789 -8.621 1.00 0.00 C ATOM 266 O LEU A 21 4.742 6.945 -9.014 1.00 0.00 O ATOM 267 CB LEU A 21 2.188 5.411 -8.014 1.00 0.00 C ATOM 268 CG LEU A 21 1.113 5.169 -6.952 1.00 0.00 C ATOM 269 CD1 LEU A 21 -0.274 5.286 -7.563 1.00 0.00 C ATOM 270 CD2 LEU A 21 1.301 3.804 -6.307 1.00 0.00 C ATOM 0 H LEU A 21 2.962 7.152 -6.409 1.00 0.00 H new ATOM 0 HA LEU A 21 3.890 4.507 -7.060 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.965 6.346 -8.528 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.128 4.616 -8.757 1.00 0.00 H new ATOM 0 HG LEU A 21 1.212 5.931 -6.179 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.026 5.111 -6.794 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.405 6.285 -7.979 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.386 4.546 -8.355 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.528 3.648 -5.554 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.227 3.028 -7.069 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.282 3.757 -5.835 1.00 0.00 H new ATOM 282 N THR A 22 5.227 4.752 -9.149 1.00 0.00 N ATOM 283 CA THR A 22 6.174 4.917 -10.244 1.00 0.00 C ATOM 284 C THR A 22 5.541 4.518 -11.574 1.00 0.00 C ATOM 285 O THR A 22 6.226 4.043 -12.480 1.00 0.00 O ATOM 286 CB THR A 22 7.429 4.080 -9.992 1.00 0.00 C ATOM 287 OG1 THR A 22 8.316 4.162 -11.093 1.00 0.00 O ATOM 288 CG2 THR A 22 7.133 2.616 -9.747 1.00 0.00 C ATOM 0 H THR A 22 5.109 3.789 -8.835 1.00 0.00 H new ATOM 0 HA THR A 22 6.453 5.970 -10.295 1.00 0.00 H new ATOM 0 HB THR A 22 7.879 4.498 -9.091 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.886 3.784 -11.888 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.066 2.080 -9.575 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.491 2.516 -8.872 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.628 2.196 -10.617 1.00 0.00 H new ATOM 296 N SER A 23 4.231 4.714 -11.682 1.00 0.00 N ATOM 297 CA SER A 23 3.505 4.375 -12.900 1.00 0.00 C ATOM 298 C SER A 23 2.844 5.611 -13.502 1.00 0.00 C ATOM 299 O SER A 23 3.053 5.931 -14.671 1.00 0.00 O ATOM 300 CB SER A 23 2.449 3.308 -12.608 1.00 0.00 C ATOM 301 OG SER A 23 1.469 3.793 -11.706 1.00 0.00 O ATOM 0 H SER A 23 3.651 5.106 -10.940 1.00 0.00 H new ATOM 0 HA SER A 23 4.220 3.981 -13.622 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.971 3.001 -13.538 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.928 2.423 -12.188 1.00 0.00 H new ATOM 0 HG SER A 23 0.805 3.093 -11.537 1.00 0.00 H new ATOM 307 N SER A 24 2.046 6.302 -12.694 1.00 0.00 N ATOM 308 CA SER A 24 1.355 7.504 -13.147 1.00 0.00 C ATOM 309 C SER A 24 1.668 8.697 -12.245 1.00 0.00 C ATOM 310 O SER A 24 0.976 9.714 -12.286 1.00 0.00 O ATOM 311 CB SER A 24 -0.156 7.264 -13.184 1.00 0.00 C ATOM 312 OG SER A 24 -0.493 6.278 -14.145 1.00 0.00 O ATOM 0 H SER A 24 1.862 6.050 -11.723 1.00 0.00 H new ATOM 0 HA SER A 24 1.709 7.733 -14.152 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.502 6.949 -12.199 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.670 8.196 -13.419 1.00 0.00 H new ATOM 0 HG SER A 24 -1.464 6.142 -14.148 1.00 0.00 H new ATOM 318 N ASN A 25 2.716 8.570 -11.433 1.00 0.00 N ATOM 319 CA ASN A 25 3.117 9.641 -10.526 1.00 0.00 C ATOM 320 C ASN A 25 1.946 10.092 -9.657 1.00 0.00 C ATOM 321 O ASN A 25 1.227 11.029 -10.003 1.00 0.00 O ATOM 322 CB ASN A 25 3.666 10.829 -11.320 1.00 0.00 C ATOM 323 CG ASN A 25 5.181 10.829 -11.384 1.00 0.00 C ATOM 324 OD1 ASN A 25 5.816 9.776 -11.343 1.00 0.00 O ATOM 325 ND2 ASN A 25 5.768 12.016 -11.486 1.00 0.00 N ATOM 0 H ASN A 25 3.302 7.736 -11.385 1.00 0.00 H new ATOM 0 HA ASN A 25 3.899 9.254 -9.873 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.262 10.804 -12.332 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.324 11.758 -10.863 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.785 12.080 -11.534 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.202 12.864 -11.517 1.00 0.00 H new ATOM 332 N GLU A 26 1.761 9.418 -8.526 1.00 0.00 N ATOM 333 CA GLU A 26 0.678 9.750 -7.607 1.00 0.00 C ATOM 334 C GLU A 26 1.022 9.323 -6.184 1.00 0.00 C ATOM 335 O GLU A 26 1.271 8.146 -5.921 1.00 0.00 O ATOM 336 CB GLU A 26 -0.622 9.078 -8.054 1.00 0.00 C ATOM 337 CG GLU A 26 -1.477 9.949 -8.960 1.00 0.00 C ATOM 338 CD GLU A 26 -2.021 11.172 -8.249 1.00 0.00 C ATOM 339 OE1 GLU A 26 -1.243 12.122 -8.021 1.00 0.00 O ATOM 340 OE2 GLU A 26 -3.227 11.181 -7.921 1.00 0.00 O ATOM 0 H GLU A 26 2.347 8.639 -8.224 1.00 0.00 H new ATOM 0 HA GLU A 26 0.543 10.831 -7.620 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.382 8.152 -8.576 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.202 8.806 -7.172 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.884 10.266 -9.818 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.308 9.359 -9.347 1.00 0.00 H new ATOM 347 N MET A 27 1.034 10.287 -5.269 1.00 0.00 N ATOM 348 CA MET A 27 1.347 10.012 -3.872 1.00 0.00 C ATOM 349 C MET A 27 0.155 9.379 -3.162 1.00 0.00 C ATOM 350 O MET A 27 -0.990 9.545 -3.583 1.00 0.00 O ATOM 351 CB MET A 27 1.757 11.300 -3.154 1.00 0.00 C ATOM 352 CG MET A 27 2.999 11.953 -3.737 1.00 0.00 C ATOM 353 SD MET A 27 3.370 13.544 -2.974 1.00 0.00 S ATOM 354 CE MET A 27 4.055 13.016 -1.406 1.00 0.00 C ATOM 0 H MET A 27 0.830 11.266 -5.470 1.00 0.00 H new ATOM 0 HA MET A 27 2.180 9.309 -3.845 1.00 0.00 H new ATOM 0 HB2 MET A 27 0.930 12.009 -3.197 1.00 0.00 H new ATOM 0 HB3 MET A 27 1.933 11.079 -2.101 1.00 0.00 H new ATOM 0 HG2 MET A 27 3.851 11.285 -3.608 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.862 12.092 -4.809 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.517 13.501 -0.592 1.00 0.00 H new ATOM 0 HE2 MET A 27 3.957 11.934 -1.312 1.00 0.00 H new ATOM 0 HE3 MET A 27 5.109 13.291 -1.358 1.00 0.00 H new ATOM 364 N ALA A 28 0.431 8.652 -2.085 1.00 0.00 N ATOM 365 CA ALA A 28 -0.620 7.995 -1.317 1.00 0.00 C ATOM 366 C ALA A 28 -0.143 7.656 0.091 1.00 0.00 C ATOM 367 O ALA A 28 1.056 7.508 0.332 1.00 0.00 O ATOM 368 CB ALA A 28 -1.088 6.737 -2.033 1.00 0.00 C ATOM 0 H ALA A 28 1.373 8.503 -1.724 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.458 8.686 -1.232 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.873 6.256 -1.449 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.478 7.001 -3.016 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.249 6.050 -2.148 1.00 0.00 H new ATOM 374 N THR A 29 -1.087 7.534 1.016 1.00 0.00 N ATOM 375 CA THR A 29 -0.764 7.213 2.400 1.00 0.00 C ATOM 376 C THR A 29 -0.940 5.724 2.668 1.00 0.00 C ATOM 377 O THR A 29 -1.955 5.132 2.304 1.00 0.00 O ATOM 378 CB THR A 29 -1.644 8.025 3.353 1.00 0.00 C ATOM 379 OG1 THR A 29 -1.628 9.397 3.003 1.00 0.00 O ATOM 380 CG2 THR A 29 -1.218 7.914 4.801 1.00 0.00 C ATOM 0 H THR A 29 -2.083 7.653 0.832 1.00 0.00 H new ATOM 0 HA THR A 29 0.280 7.473 2.573 1.00 0.00 H new ATOM 0 HB THR A 29 -2.645 7.604 3.253 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.840 9.826 3.398 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.883 8.513 5.423 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.268 6.872 5.116 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.196 8.277 4.908 1.00 0.00 H new ATOM 388 N VAL A 30 0.059 5.125 3.305 1.00 0.00 N ATOM 389 CA VAL A 30 0.017 3.705 3.619 1.00 0.00 C ATOM 390 C VAL A 30 -0.848 3.438 4.847 1.00 0.00 C ATOM 391 O VAL A 30 -0.659 4.053 5.897 1.00 0.00 O ATOM 392 CB VAL A 30 1.428 3.138 3.865 1.00 0.00 C ATOM 393 CG1 VAL A 30 1.381 1.624 3.996 1.00 0.00 C ATOM 394 CG2 VAL A 30 2.372 3.555 2.748 1.00 0.00 C ATOM 0 H VAL A 30 0.907 5.601 3.613 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.419 3.205 2.754 1.00 0.00 H new ATOM 0 HB VAL A 30 1.806 3.548 4.802 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.387 1.242 4.169 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.740 1.351 4.834 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.982 1.192 3.078 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.364 3.146 2.938 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.999 3.176 1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.430 4.643 2.708 1.00 0.00 H new ATOM 404 N ARG A 31 -1.797 2.518 4.707 1.00 0.00 N ATOM 405 CA ARG A 31 -2.692 2.169 5.805 1.00 0.00 C ATOM 406 C ARG A 31 -2.495 0.718 6.230 1.00 0.00 C ATOM 407 O ARG A 31 -2.516 0.401 7.419 1.00 0.00 O ATOM 408 CB ARG A 31 -4.148 2.398 5.394 1.00 0.00 C ATOM 409 CG ARG A 31 -4.478 3.854 5.108 1.00 0.00 C ATOM 410 CD ARG A 31 -4.508 4.680 6.384 1.00 0.00 C ATOM 411 NE ARG A 31 -5.594 4.274 7.273 1.00 0.00 N ATOM 412 CZ ARG A 31 -6.041 5.017 8.283 1.00 0.00 C ATOM 413 NH1 ARG A 31 -5.500 6.202 8.535 1.00 0.00 N ATOM 414 NH2 ARG A 31 -7.034 4.574 9.043 1.00 0.00 N ATOM 0 H ARG A 31 -1.966 2.001 3.844 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.454 2.811 6.653 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.364 1.804 4.506 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.802 2.035 6.187 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.738 4.268 4.423 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.445 3.918 4.609 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.556 4.578 6.905 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.621 5.734 6.131 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.035 3.369 7.110 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.737 6.548 7.953 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.847 6.767 9.310 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.455 3.664 8.853 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.377 5.143 9.817 1.00 0.00 H new ATOM 428 N TYR A 32 -2.306 -0.160 5.250 1.00 0.00 N ATOM 429 CA TYR A 32 -2.107 -1.579 5.522 1.00 0.00 C ATOM 430 C TYR A 32 -0.850 -2.097 4.830 1.00 0.00 C ATOM 431 O TYR A 32 -0.486 -1.628 3.752 1.00 0.00 O ATOM 432 CB TYR A 32 -3.325 -2.383 5.061 1.00 0.00 C ATOM 433 CG TYR A 32 -3.249 -3.852 5.407 1.00 0.00 C ATOM 434 CD1 TYR A 32 -3.695 -4.321 6.636 1.00 0.00 C ATOM 435 CD2 TYR A 32 -2.733 -4.772 4.502 1.00 0.00 C ATOM 436 CE1 TYR A 32 -3.626 -5.664 6.955 1.00 0.00 C ATOM 437 CE2 TYR A 32 -2.663 -6.116 4.814 1.00 0.00 C ATOM 438 CZ TYR A 32 -3.111 -6.557 6.040 1.00 0.00 C ATOM 439 OH TYR A 32 -3.041 -7.895 6.354 1.00 0.00 O ATOM 0 H TYR A 32 -2.286 0.086 4.260 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.983 -1.703 6.598 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.222 -1.958 5.512 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.431 -2.278 3.981 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.102 -3.625 7.354 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.381 -4.431 3.540 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.974 -6.012 7.916 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -2.259 -6.818 4.100 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.654 -8.388 5.600 1.00 0.00 H new ATOM 449 N VAL A 33 -0.191 -3.065 5.458 1.00 0.00 N ATOM 450 CA VAL A 33 1.025 -3.647 4.903 1.00 0.00 C ATOM 451 C VAL A 33 1.108 -5.139 5.201 1.00 0.00 C ATOM 452 O VAL A 33 1.388 -5.542 6.331 1.00 0.00 O ATOM 453 CB VAL A 33 2.283 -2.954 5.458 1.00 0.00 C ATOM 454 CG1 VAL A 33 3.527 -3.435 4.726 1.00 0.00 C ATOM 455 CG2 VAL A 33 2.149 -1.442 5.360 1.00 0.00 C ATOM 0 H VAL A 33 -0.479 -3.463 6.352 1.00 0.00 H new ATOM 0 HA VAL A 33 0.982 -3.497 3.824 1.00 0.00 H new ATOM 0 HB VAL A 33 2.385 -3.219 6.510 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.405 -2.934 5.133 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.632 -4.512 4.855 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.437 -3.204 3.665 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.048 -0.971 5.757 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.020 -1.155 4.316 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.283 -1.115 5.936 1.00 0.00 H new ATOM 465 N GLY A 34 0.862 -5.957 4.183 1.00 0.00 N ATOM 466 CA GLY A 34 0.912 -7.396 4.358 1.00 0.00 C ATOM 467 C GLY A 34 0.166 -8.140 3.265 1.00 0.00 C ATOM 468 O GLY A 34 -0.546 -7.527 2.470 1.00 0.00 O ATOM 0 H GLY A 34 0.629 -5.648 3.239 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.952 -7.722 4.370 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.485 -7.656 5.327 1.00 0.00 H new ATOM 472 N PRO A 35 0.309 -9.475 3.200 1.00 0.00 N ATOM 473 CA PRO A 35 -0.364 -10.293 2.187 1.00 0.00 C ATOM 474 C PRO A 35 -1.866 -10.033 2.138 1.00 0.00 C ATOM 475 O PRO A 35 -2.496 -9.776 3.163 1.00 0.00 O ATOM 476 CB PRO A 35 -0.084 -11.727 2.642 1.00 0.00 C ATOM 477 CG PRO A 35 1.172 -11.635 3.437 1.00 0.00 C ATOM 478 CD PRO A 35 1.140 -10.290 4.108 1.00 0.00 C ATOM 0 HA PRO A 35 -0.004 -10.074 1.182 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.905 -12.119 3.243 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.035 -12.396 1.790 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.228 -12.437 4.173 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.048 -11.730 2.795 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.706 -10.349 5.106 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.141 -9.873 4.220 1.00 0.00 H new ATOM 486 N THR A 36 -2.433 -10.102 0.938 1.00 0.00 N ATOM 487 CA THR A 36 -3.862 -9.876 0.753 1.00 0.00 C ATOM 488 C THR A 36 -4.603 -11.197 0.579 1.00 0.00 C ATOM 489 O THR A 36 -3.999 -12.268 0.617 1.00 0.00 O ATOM 490 CB THR A 36 -4.104 -8.978 -0.462 1.00 0.00 C ATOM 491 OG1 THR A 36 -3.302 -9.388 -1.555 1.00 0.00 O ATOM 492 CG2 THR A 36 -3.806 -7.518 -0.195 1.00 0.00 C ATOM 0 H THR A 36 -1.925 -10.313 0.079 1.00 0.00 H new ATOM 0 HA THR A 36 -4.245 -9.380 1.645 1.00 0.00 H new ATOM 0 HB THR A 36 -5.165 -9.079 -0.691 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.795 -8.621 -1.895 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.998 -6.937 -1.097 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.444 -7.158 0.612 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.761 -7.407 0.092 1.00 0.00 H new ATOM 500 N ASP A 37 -5.915 -11.112 0.390 1.00 0.00 N ATOM 501 CA ASP A 37 -6.740 -12.302 0.211 1.00 0.00 C ATOM 502 C ASP A 37 -7.009 -12.562 -1.268 1.00 0.00 C ATOM 503 O ASP A 37 -7.002 -13.708 -1.717 1.00 0.00 O ATOM 504 CB ASP A 37 -8.062 -12.149 0.964 1.00 0.00 C ATOM 505 CG ASP A 37 -8.525 -13.450 1.588 1.00 0.00 C ATOM 506 OD1 ASP A 37 -7.683 -14.157 2.182 1.00 0.00 O ATOM 507 OD2 ASP A 37 -9.730 -13.764 1.485 1.00 0.00 O ATOM 0 H ASP A 37 -6.430 -10.232 0.357 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.196 -13.155 0.617 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.948 -11.396 1.743 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.827 -11.785 0.279 1.00 0.00 H new ATOM 512 N PHE A 38 -7.243 -11.492 -2.020 1.00 0.00 N ATOM 513 CA PHE A 38 -7.513 -11.608 -3.449 1.00 0.00 C ATOM 514 C PHE A 38 -6.280 -12.106 -4.197 1.00 0.00 C ATOM 515 O PHE A 38 -6.389 -12.869 -5.157 1.00 0.00 O ATOM 516 CB PHE A 38 -7.960 -10.259 -4.018 1.00 0.00 C ATOM 517 CG PHE A 38 -6.975 -9.151 -3.779 1.00 0.00 C ATOM 518 CD1 PHE A 38 -5.943 -8.919 -4.675 1.00 0.00 C ATOM 519 CD2 PHE A 38 -7.081 -8.341 -2.659 1.00 0.00 C ATOM 520 CE1 PHE A 38 -5.035 -7.900 -4.457 1.00 0.00 C ATOM 521 CE2 PHE A 38 -6.177 -7.321 -2.438 1.00 0.00 C ATOM 522 CZ PHE A 38 -5.152 -7.099 -3.337 1.00 0.00 C ATOM 0 H PHE A 38 -7.251 -10.536 -1.665 1.00 0.00 H new ATOM 0 HA PHE A 38 -8.315 -12.334 -3.583 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.125 -10.363 -5.090 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -8.917 -9.986 -3.574 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -5.847 -9.541 -5.553 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -7.879 -8.510 -1.952 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.234 -7.730 -5.162 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.271 -6.697 -1.562 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.444 -6.302 -3.165 1.00 0.00 H new ATOM 532 N ALA A 39 -5.108 -11.669 -3.750 1.00 0.00 N ATOM 533 CA ALA A 39 -3.853 -12.071 -4.376 1.00 0.00 C ATOM 534 C ALA A 39 -2.847 -12.542 -3.331 1.00 0.00 C ATOM 535 O ALA A 39 -3.062 -12.379 -2.130 1.00 0.00 O ATOM 536 CB ALA A 39 -3.276 -10.922 -5.189 1.00 0.00 C ATOM 0 H ALA A 39 -5.000 -11.037 -2.957 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.060 -12.905 -5.046 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.340 -11.237 -5.650 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.984 -10.634 -5.966 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.090 -10.071 -4.534 1.00 0.00 H new ATOM 542 N SER A 40 -1.747 -13.125 -3.797 1.00 0.00 N ATOM 543 CA SER A 40 -0.707 -13.618 -2.901 1.00 0.00 C ATOM 544 C SER A 40 0.510 -12.698 -2.921 1.00 0.00 C ATOM 545 O SER A 40 0.682 -11.900 -3.842 1.00 0.00 O ATOM 546 CB SER A 40 -0.295 -15.036 -3.299 1.00 0.00 C ATOM 547 OG SER A 40 -1.328 -15.686 -4.017 1.00 0.00 O ATOM 0 H SER A 40 -1.553 -13.267 -4.788 1.00 0.00 H new ATOM 0 HA SER A 40 -1.111 -13.634 -1.889 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.607 -14.998 -3.909 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.052 -15.611 -2.406 1.00 0.00 H new ATOM 0 HG SER A 40 -1.038 -16.590 -4.261 1.00 0.00 H new ATOM 553 N GLY A 41 1.351 -12.817 -1.899 1.00 0.00 N ATOM 554 CA GLY A 41 2.541 -11.991 -1.818 1.00 0.00 C ATOM 555 C GLY A 41 2.390 -10.853 -0.828 1.00 0.00 C ATOM 556 O GLY A 41 1.897 -11.050 0.283 1.00 0.00 O ATOM 0 H GLY A 41 1.230 -13.471 -1.126 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.390 -12.610 -1.529 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.765 -11.584 -2.804 1.00 0.00 H new ATOM 560 N ILE A 42 2.816 -9.660 -1.230 1.00 0.00 N ATOM 561 CA ILE A 42 2.726 -8.486 -0.369 1.00 0.00 C ATOM 562 C ILE A 42 2.017 -7.338 -1.079 1.00 0.00 C ATOM 563 O ILE A 42 2.134 -7.179 -2.295 1.00 0.00 O ATOM 564 CB ILE A 42 4.122 -8.011 0.082 1.00 0.00 C ATOM 565 CG1 ILE A 42 4.930 -9.182 0.647 1.00 0.00 C ATOM 566 CG2 ILE A 42 3.995 -6.899 1.113 1.00 0.00 C ATOM 567 CD1 ILE A 42 6.351 -9.239 0.133 1.00 0.00 C ATOM 0 H ILE A 42 3.227 -9.481 -2.146 1.00 0.00 H new ATOM 0 HA ILE A 42 2.149 -8.780 0.508 1.00 0.00 H new ATOM 0 HB ILE A 42 4.652 -7.617 -0.785 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.948 -9.109 1.734 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.425 -10.115 0.398 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.989 -6.574 1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.457 -6.057 0.676 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.448 -7.268 1.981 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.864 -10.093 0.575 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.342 -9.343 -0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.873 -8.322 0.405 1.00 0.00 H new ATOM 579 N TRP A 43 1.279 -6.541 -0.313 1.00 0.00 N ATOM 580 CA TRP A 43 0.549 -5.408 -0.871 1.00 0.00 C ATOM 581 C TRP A 43 0.517 -4.245 0.117 1.00 0.00 C ATOM 582 O TRP A 43 0.993 -4.363 1.245 1.00 0.00 O ATOM 583 CB TRP A 43 -0.876 -5.822 -1.236 1.00 0.00 C ATOM 584 CG TRP A 43 -0.949 -6.686 -2.458 1.00 0.00 C ATOM 585 CD1 TRP A 43 -0.860 -8.047 -2.505 1.00 0.00 C ATOM 586 CD2 TRP A 43 -1.126 -6.247 -3.810 1.00 0.00 C ATOM 587 NE1 TRP A 43 -0.970 -8.482 -3.805 1.00 0.00 N ATOM 588 CE2 TRP A 43 -1.134 -7.396 -4.624 1.00 0.00 C ATOM 589 CE3 TRP A 43 -1.278 -4.993 -4.411 1.00 0.00 C ATOM 590 CZ2 TRP A 43 -1.289 -7.328 -6.006 1.00 0.00 C ATOM 591 CZ3 TRP A 43 -1.432 -4.928 -5.783 1.00 0.00 C ATOM 592 CH2 TRP A 43 -1.436 -6.088 -6.567 1.00 0.00 C ATOM 0 H TRP A 43 1.171 -6.658 0.694 1.00 0.00 H new ATOM 0 HA TRP A 43 1.066 -5.082 -1.774 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.318 -6.356 -0.395 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.477 -4.927 -1.396 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.723 -8.688 -1.647 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.935 -9.455 -4.110 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.275 -4.093 -3.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.293 -8.221 -6.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.551 -3.966 -6.259 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.558 -6.003 -7.637 1.00 0.00 H new ATOM 603 N LEU A 44 -0.048 -3.122 -0.317 1.00 0.00 N ATOM 604 CA LEU A 44 -0.141 -1.938 0.529 1.00 0.00 C ATOM 605 C LEU A 44 -1.429 -1.170 0.253 1.00 0.00 C ATOM 606 O LEU A 44 -1.587 -0.563 -0.806 1.00 0.00 O ATOM 607 CB LEU A 44 1.068 -1.027 0.304 1.00 0.00 C ATOM 608 CG LEU A 44 2.427 -1.728 0.350 1.00 0.00 C ATOM 609 CD1 LEU A 44 3.511 -0.828 -0.220 1.00 0.00 C ATOM 610 CD2 LEU A 44 2.765 -2.138 1.775 1.00 0.00 C ATOM 0 H LEU A 44 -0.448 -3.008 -1.248 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.151 -2.266 1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.961 -0.540 -0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.056 -0.241 1.059 1.00 0.00 H new ATOM 0 HG LEU A 44 2.373 -2.628 -0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.471 -1.343 -0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.274 -0.584 -1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.567 0.090 0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.735 -2.635 1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.801 -1.252 2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.001 -2.821 2.148 1.00 0.00 H new ATOM 622 N GLY A 45 -2.348 -1.199 1.214 1.00 0.00 N ATOM 623 CA GLY A 45 -3.610 -0.500 1.055 1.00 0.00 C ATOM 624 C GLY A 45 -3.459 1.003 1.191 1.00 0.00 C ATOM 625 O GLY A 45 -3.647 1.556 2.274 1.00 0.00 O ATOM 0 H GLY A 45 -2.241 -1.694 2.099 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.031 -0.733 0.077 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.318 -0.860 1.801 1.00 0.00 H new ATOM 629 N LEU A 46 -3.117 1.663 0.089 1.00 0.00 N ATOM 630 CA LEU A 46 -2.939 3.111 0.088 1.00 0.00 C ATOM 631 C LEU A 46 -4.284 3.827 0.151 1.00 0.00 C ATOM 632 O LEU A 46 -5.336 3.211 -0.017 1.00 0.00 O ATOM 633 CB LEU A 46 -2.173 3.550 -1.161 1.00 0.00 C ATOM 634 CG LEU A 46 -0.765 2.967 -1.297 1.00 0.00 C ATOM 635 CD1 LEU A 46 -0.068 3.534 -2.525 1.00 0.00 C ATOM 636 CD2 LEU A 46 0.050 3.247 -0.043 1.00 0.00 C ATOM 0 H LEU A 46 -2.958 1.218 -0.815 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.364 3.381 0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.752 3.270 -2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.101 4.638 -1.160 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.850 1.887 -1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.932 3.108 -2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.642 3.283 -3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.006 4.618 -2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.049 2.826 -0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.126 4.324 0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.440 2.793 0.818 1.00 0.00 H new ATOM 648 N GLU A 47 -4.240 5.134 0.393 1.00 0.00 N ATOM 649 CA GLU A 47 -5.454 5.938 0.478 1.00 0.00 C ATOM 650 C GLU A 47 -5.191 7.369 0.017 1.00 0.00 C ATOM 651 O GLU A 47 -4.260 8.021 0.487 1.00 0.00 O ATOM 652 CB GLU A 47 -5.990 5.942 1.910 1.00 0.00 C ATOM 653 CG GLU A 47 -7.500 6.097 1.993 1.00 0.00 C ATOM 654 CD GLU A 47 -7.965 6.550 3.363 1.00 0.00 C ATOM 655 OE1 GLU A 47 -7.505 5.970 4.369 1.00 0.00 O ATOM 656 OE2 GLU A 47 -8.788 7.487 3.430 1.00 0.00 O ATOM 0 H GLU A 47 -3.377 5.658 0.534 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.201 5.494 -0.180 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.701 5.012 2.400 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.519 6.754 2.463 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.829 6.818 1.245 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.973 5.146 1.749 1.00 0.00 H new ATOM 663 N LEU A 48 -6.016 7.849 -0.907 1.00 0.00 N ATOM 664 CA LEU A 48 -5.872 9.202 -1.431 1.00 0.00 C ATOM 665 C LEU A 48 -6.868 10.150 -0.772 1.00 0.00 C ATOM 666 O LEU A 48 -7.674 9.739 0.063 1.00 0.00 O ATOM 667 CB LEU A 48 -6.070 9.208 -2.948 1.00 0.00 C ATOM 668 CG LEU A 48 -5.197 8.216 -3.718 1.00 0.00 C ATOM 669 CD1 LEU A 48 -5.804 7.916 -5.080 1.00 0.00 C ATOM 670 CD2 LEU A 48 -3.783 8.759 -3.869 1.00 0.00 C ATOM 0 H LEU A 48 -6.791 7.321 -1.308 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.864 9.548 -1.202 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.116 8.991 -3.164 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.869 10.212 -3.322 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.150 7.285 -3.152 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.169 7.209 -5.613 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.797 7.486 -4.949 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.882 8.839 -5.655 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.174 8.041 -4.419 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.812 9.703 -4.413 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.349 8.922 -2.883 1.00 0.00 H new ATOM 682 N ARG A 49 -6.807 11.423 -1.152 1.00 0.00 N ATOM 683 CA ARG A 49 -7.703 12.432 -0.598 1.00 0.00 C ATOM 684 C ARG A 49 -8.666 12.949 -1.662 1.00 0.00 C ATOM 685 O ARG A 49 -9.092 14.103 -1.620 1.00 0.00 O ATOM 686 CB ARG A 49 -6.896 13.592 -0.009 1.00 0.00 C ATOM 687 CG ARG A 49 -7.103 13.781 1.485 1.00 0.00 C ATOM 688 CD ARG A 49 -5.883 14.405 2.141 1.00 0.00 C ATOM 689 NE ARG A 49 -5.630 13.847 3.467 1.00 0.00 N ATOM 690 CZ ARG A 49 -6.288 14.213 4.564 1.00 0.00 C ATOM 691 NH1 ARG A 49 -7.242 15.134 4.498 1.00 0.00 N ATOM 692 NH2 ARG A 49 -5.995 13.657 5.732 1.00 0.00 N ATOM 0 H ARG A 49 -6.146 11.780 -1.842 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.288 11.968 0.196 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.837 13.421 -0.202 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.170 14.513 -0.525 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.973 14.415 1.656 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.314 12.818 1.949 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.010 14.246 1.508 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.026 15.483 2.222 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.906 13.134 3.557 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.474 15.565 3.603 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.743 15.411 5.342 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.264 12.948 5.790 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.500 13.939 6.572 1.00 0.00 H new ATOM 706 N SER A 50 -9.006 12.088 -2.616 1.00 0.00 N ATOM 707 CA SER A 50 -9.919 12.460 -3.692 1.00 0.00 C ATOM 708 C SER A 50 -10.262 11.250 -4.556 1.00 0.00 C ATOM 709 O SER A 50 -9.854 10.128 -4.261 1.00 0.00 O ATOM 710 CB SER A 50 -9.302 13.561 -4.555 1.00 0.00 C ATOM 711 OG SER A 50 -7.886 13.519 -4.501 1.00 0.00 O ATOM 0 H SER A 50 -8.664 11.129 -2.666 1.00 0.00 H new ATOM 0 HA SER A 50 -10.839 12.835 -3.242 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.633 13.447 -5.587 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.653 14.535 -4.214 1.00 0.00 H new ATOM 0 HG SER A 50 -7.522 14.385 -4.780 1.00 0.00 H new ATOM 717 N ALA A 51 -11.015 11.489 -5.625 1.00 0.00 N ATOM 718 CA ALA A 51 -11.414 10.421 -6.532 1.00 0.00 C ATOM 719 C ALA A 51 -10.310 10.113 -7.538 1.00 0.00 C ATOM 720 O ALA A 51 -10.344 10.581 -8.675 1.00 0.00 O ATOM 721 CB ALA A 51 -12.699 10.794 -7.255 1.00 0.00 C ATOM 0 H ALA A 51 -11.361 12.413 -5.884 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.591 9.523 -5.939 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.985 9.987 -7.929 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.493 10.956 -6.526 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.542 11.707 -7.829 1.00 0.00 H new ATOM 727 N LYS A 52 -9.329 9.323 -7.110 1.00 0.00 N ATOM 728 CA LYS A 52 -8.214 8.954 -7.973 1.00 0.00 C ATOM 729 C LYS A 52 -7.814 7.498 -7.754 1.00 0.00 C ATOM 730 O LYS A 52 -6.639 7.146 -7.847 1.00 0.00 O ATOM 731 CB LYS A 52 -7.016 9.869 -7.713 1.00 0.00 C ATOM 732 CG LYS A 52 -7.043 11.153 -8.525 1.00 0.00 C ATOM 733 CD LYS A 52 -6.436 12.313 -7.752 1.00 0.00 C ATOM 734 CE LYS A 52 -7.218 13.598 -7.971 1.00 0.00 C ATOM 735 NZ LYS A 52 -6.507 14.783 -7.417 1.00 0.00 N ATOM 0 H LYS A 52 -9.285 8.927 -6.171 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.534 9.072 -9.008 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.985 10.120 -6.653 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.099 9.325 -7.939 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.495 11.008 -9.456 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.071 11.393 -8.795 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.418 12.073 -6.689 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.402 12.458 -8.064 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.387 13.742 -9.038 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.198 13.511 -7.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.073 15.638 -7.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.368 14.657 -6.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.582 14.882 -7.883 1.00 0.00 H new ATOM 749 N GLY A 53 -8.801 6.658 -7.462 1.00 0.00 N ATOM 750 CA GLY A 53 -8.532 5.249 -7.234 1.00 0.00 C ATOM 751 C GLY A 53 -9.526 4.348 -7.940 1.00 0.00 C ATOM 752 O GLY A 53 -10.324 4.810 -8.755 1.00 0.00 O ATOM 0 H GLY A 53 -9.782 6.926 -7.379 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.525 5.014 -7.578 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.558 5.046 -6.163 1.00 0.00 H new ATOM 756 N LYS A 54 -9.476 3.057 -7.628 1.00 0.00 N ATOM 757 CA LYS A 54 -10.378 2.086 -8.239 1.00 0.00 C ATOM 758 C LYS A 54 -11.239 1.404 -7.180 1.00 0.00 C ATOM 759 O LYS A 54 -12.436 1.194 -7.381 1.00 0.00 O ATOM 760 CB LYS A 54 -9.583 1.039 -9.019 1.00 0.00 C ATOM 761 CG LYS A 54 -8.862 1.603 -10.232 1.00 0.00 C ATOM 762 CD LYS A 54 -7.370 1.756 -9.976 1.00 0.00 C ATOM 763 CE LYS A 54 -7.009 3.191 -9.632 1.00 0.00 C ATOM 764 NZ LYS A 54 -5.702 3.591 -10.222 1.00 0.00 N ATOM 0 H LYS A 54 -8.821 2.659 -6.956 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.034 2.619 -8.927 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.852 0.579 -8.353 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.260 0.249 -9.344 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.019 0.946 -11.087 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.288 2.572 -10.491 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.070 1.099 -9.160 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.814 1.441 -10.859 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.791 3.859 -9.994 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.969 3.306 -8.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.492 4.576 -9.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.952 2.970 -9.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.748 3.506 -11.258 1.00 0.00 H new ATOM 778 N ASN A 55 -10.623 1.061 -6.054 1.00 0.00 N ATOM 779 CA ASN A 55 -11.333 0.403 -4.965 1.00 0.00 C ATOM 780 C ASN A 55 -11.958 1.430 -4.026 1.00 0.00 C ATOM 781 O ASN A 55 -11.445 2.537 -3.870 1.00 0.00 O ATOM 782 CB ASN A 55 -10.381 -0.507 -4.184 1.00 0.00 C ATOM 783 CG ASN A 55 -9.917 -1.695 -5.003 1.00 0.00 C ATOM 784 OD1 ASN A 55 -10.650 -2.205 -5.850 1.00 0.00 O ATOM 785 ND2 ASN A 55 -8.692 -2.143 -4.753 1.00 0.00 N ATOM 0 H ASN A 55 -9.633 1.228 -5.872 1.00 0.00 H new ATOM 0 HA ASN A 55 -12.131 -0.202 -5.396 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.514 0.070 -3.862 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.880 -0.863 -3.283 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.325 -2.940 -5.272 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.118 -1.690 -4.042 1.00 0.00 H new ATOM 792 N ASP A 56 -13.071 1.054 -3.404 1.00 0.00 N ATOM 793 CA ASP A 56 -13.767 1.942 -2.480 1.00 0.00 C ATOM 794 C ASP A 56 -13.095 1.944 -1.110 1.00 0.00 C ATOM 795 O ASP A 56 -13.221 2.901 -0.347 1.00 0.00 O ATOM 796 CB ASP A 56 -15.232 1.524 -2.341 1.00 0.00 C ATOM 797 CG ASP A 56 -15.383 0.062 -1.969 1.00 0.00 C ATOM 798 OD1 ASP A 56 -14.939 -0.800 -2.755 1.00 0.00 O ATOM 799 OD2 ASP A 56 -15.947 -0.220 -0.890 1.00 0.00 O ATOM 0 H ASP A 56 -13.510 0.141 -3.523 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.721 2.952 -2.887 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.713 2.141 -1.582 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.752 1.713 -3.280 1.00 0.00 H new ATOM 804 N GLY A 57 -12.379 0.866 -0.804 1.00 0.00 N ATOM 805 CA GLY A 57 -11.699 0.765 0.474 1.00 0.00 C ATOM 806 C GLY A 57 -11.243 -0.648 0.778 1.00 0.00 C ATOM 807 O GLY A 57 -10.244 -0.851 1.467 1.00 0.00 O ATOM 0 H GLY A 57 -12.258 0.061 -1.419 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -10.836 1.430 0.476 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -12.367 1.106 1.265 1.00 0.00 H new ATOM 811 N ALA A 58 -11.979 -1.629 0.263 1.00 0.00 N ATOM 812 CA ALA A 58 -11.645 -3.031 0.482 1.00 0.00 C ATOM 813 C ALA A 58 -11.736 -3.826 -0.815 1.00 0.00 C ATOM 814 O ALA A 58 -12.299 -3.358 -1.804 1.00 0.00 O ATOM 815 CB ALA A 58 -12.560 -3.631 1.539 1.00 0.00 C ATOM 0 H ALA A 58 -12.810 -1.478 -0.309 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.616 -3.084 0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.300 -4.678 1.693 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.441 -3.086 2.475 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -13.596 -3.559 1.207 1.00 0.00 H new ATOM 821 N VAL A 59 -11.179 -5.033 -0.803 1.00 0.00 N ATOM 822 CA VAL A 59 -11.199 -5.895 -1.978 1.00 0.00 C ATOM 823 C VAL A 59 -11.627 -7.312 -1.611 1.00 0.00 C ATOM 824 O VAL A 59 -10.882 -8.048 -0.962 1.00 0.00 O ATOM 825 CB VAL A 59 -9.818 -5.948 -2.660 1.00 0.00 C ATOM 826 CG1 VAL A 59 -9.903 -6.691 -3.984 1.00 0.00 C ATOM 827 CG2 VAL A 59 -9.270 -4.544 -2.862 1.00 0.00 C ATOM 0 H VAL A 59 -10.709 -5.436 0.008 1.00 0.00 H new ATOM 0 HA VAL A 59 -11.922 -5.467 -2.673 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.132 -6.492 -2.010 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.918 -6.718 -4.450 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.249 -7.710 -3.808 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.603 -6.179 -4.644 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.294 -4.600 -3.345 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.954 -3.974 -3.491 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.169 -4.050 -1.895 1.00 0.00 H new ATOM 837 N GLY A 60 -12.831 -7.688 -2.029 1.00 0.00 N ATOM 838 CA GLY A 60 -13.337 -9.016 -1.733 1.00 0.00 C ATOM 839 C GLY A 60 -14.103 -9.067 -0.426 1.00 0.00 C ATOM 840 O GLY A 60 -14.985 -8.243 -0.183 1.00 0.00 O ATOM 0 H GLY A 60 -13.465 -7.098 -2.567 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.987 -9.343 -2.545 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.504 -9.718 -1.690 1.00 0.00 H new ATOM 844 N ASP A 61 -13.767 -10.038 0.418 1.00 0.00 N ATOM 845 CA ASP A 61 -14.430 -10.194 1.707 1.00 0.00 C ATOM 846 C ASP A 61 -13.489 -9.834 2.853 1.00 0.00 C ATOM 847 O ASP A 61 -13.600 -10.376 3.952 1.00 0.00 O ATOM 848 CB ASP A 61 -14.931 -11.629 1.875 1.00 0.00 C ATOM 849 CG ASP A 61 -16.198 -11.707 2.703 1.00 0.00 C ATOM 850 OD1 ASP A 61 -16.222 -11.129 3.809 1.00 0.00 O ATOM 851 OD2 ASP A 61 -17.168 -12.346 2.244 1.00 0.00 O ATOM 0 H ASP A 61 -13.039 -10.728 0.232 1.00 0.00 H new ATOM 0 HA ASP A 61 -15.281 -9.513 1.734 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.115 -12.064 0.893 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -14.154 -12.229 2.348 1.00 0.00 H new ATOM 856 N LYS A 62 -12.564 -8.916 2.588 1.00 0.00 N ATOM 857 CA LYS A 62 -11.605 -8.486 3.600 1.00 0.00 C ATOM 858 C LYS A 62 -11.580 -6.965 3.714 1.00 0.00 C ATOM 859 O LYS A 62 -12.286 -6.266 2.987 1.00 0.00 O ATOM 860 CB LYS A 62 -10.208 -9.009 3.263 1.00 0.00 C ATOM 861 CG LYS A 62 -9.437 -9.509 4.474 1.00 0.00 C ATOM 862 CD LYS A 62 -8.434 -10.585 4.092 1.00 0.00 C ATOM 863 CE LYS A 62 -7.799 -11.216 5.321 1.00 0.00 C ATOM 864 NZ LYS A 62 -6.361 -11.534 5.100 1.00 0.00 N ATOM 0 H LYS A 62 -12.458 -8.457 1.683 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.917 -8.898 4.560 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.297 -9.819 2.540 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.638 -8.214 2.782 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.916 -8.675 4.944 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.134 -9.906 5.212 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.932 -11.355 3.502 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.657 -10.153 3.461 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.895 -10.537 6.168 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.337 -12.128 5.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.964 -11.963 5.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.271 -12.201 4.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.842 -10.660 4.877 1.00 0.00 H new ATOM 878 N ARG A 63 -10.762 -6.460 4.632 1.00 0.00 N ATOM 879 CA ARG A 63 -10.644 -5.023 4.843 1.00 0.00 C ATOM 880 C ARG A 63 -9.181 -4.595 4.871 1.00 0.00 C ATOM 881 O ARG A 63 -8.321 -5.318 5.376 1.00 0.00 O ATOM 882 CB ARG A 63 -11.331 -4.620 6.150 1.00 0.00 C ATOM 883 CG ARG A 63 -12.048 -3.282 6.072 1.00 0.00 C ATOM 884 CD ARG A 63 -13.167 -3.305 5.043 1.00 0.00 C ATOM 885 NE ARG A 63 -14.482 -3.139 5.661 1.00 0.00 N ATOM 886 CZ ARG A 63 -15.549 -2.662 5.023 1.00 0.00 C ATOM 887 NH1 ARG A 63 -15.467 -2.305 3.747 1.00 0.00 N ATOM 888 NH2 ARG A 63 -16.704 -2.542 5.663 1.00 0.00 N ATOM 0 H ARG A 63 -10.171 -7.026 5.241 1.00 0.00 H new ATOM 0 HA ARG A 63 -11.135 -4.518 4.011 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -12.049 -5.392 6.427 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.586 -4.578 6.945 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.458 -3.031 7.050 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.333 -2.500 5.815 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -13.006 -2.511 4.314 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -13.139 -4.248 4.498 1.00 0.00 H new ATOM 0 HE ARG A 63 -14.588 -3.405 6.640 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -14.582 -2.395 3.248 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -16.289 -1.941 3.266 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -16.775 -2.815 6.643 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -17.522 -2.177 5.175 1.00 0.00 H new ATOM 902 N TYR A 64 -8.903 -3.415 4.327 1.00 0.00 N ATOM 903 CA TYR A 64 -7.543 -2.890 4.290 1.00 0.00 C ATOM 904 C TYR A 64 -7.515 -1.419 4.689 1.00 0.00 C ATOM 905 O TYR A 64 -6.812 -1.031 5.621 1.00 0.00 O ATOM 906 CB TYR A 64 -6.946 -3.063 2.892 1.00 0.00 C ATOM 907 CG TYR A 64 -6.876 -4.504 2.435 1.00 0.00 C ATOM 908 CD1 TYR A 64 -5.823 -5.324 2.821 1.00 0.00 C ATOM 909 CD2 TYR A 64 -7.862 -5.042 1.618 1.00 0.00 C ATOM 910 CE1 TYR A 64 -5.755 -6.640 2.407 1.00 0.00 C ATOM 911 CE2 TYR A 64 -7.800 -6.358 1.199 1.00 0.00 C ATOM 912 CZ TYR A 64 -6.746 -7.152 1.596 1.00 0.00 C ATOM 913 OH TYR A 64 -6.682 -8.463 1.182 1.00 0.00 O ATOM 0 H TYR A 64 -9.602 -2.804 3.905 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.944 -3.452 5.006 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -7.542 -2.493 2.179 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -5.942 -2.638 2.880 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.045 -4.926 3.455 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.690 -4.423 1.305 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -4.930 -7.265 2.717 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -8.574 -6.762 0.563 1.00 0.00 H new ATOM 0 HH TYR A 64 -7.457 -8.666 0.618 1.00 0.00 H new ATOM 923 N PHE A 65 -8.286 -0.602 3.977 1.00 0.00 N ATOM 924 CA PHE A 65 -8.350 0.827 4.257 1.00 0.00 C ATOM 925 C PHE A 65 -9.785 1.335 4.165 1.00 0.00 C ATOM 926 O PHE A 65 -10.650 0.680 3.584 1.00 0.00 O ATOM 927 CB PHE A 65 -7.459 1.600 3.285 1.00 0.00 C ATOM 928 CG PHE A 65 -7.607 1.163 1.855 1.00 0.00 C ATOM 929 CD1 PHE A 65 -7.016 -0.010 1.411 1.00 0.00 C ATOM 930 CD2 PHE A 65 -8.337 1.924 0.956 1.00 0.00 C ATOM 931 CE1 PHE A 65 -7.151 -0.414 0.097 1.00 0.00 C ATOM 932 CE2 PHE A 65 -8.475 1.523 -0.360 1.00 0.00 C ATOM 933 CZ PHE A 65 -7.881 0.354 -0.790 1.00 0.00 C ATOM 0 H PHE A 65 -8.875 -0.906 3.202 1.00 0.00 H new ATOM 0 HA PHE A 65 -7.991 0.989 5.273 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.693 2.662 3.357 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.418 1.481 3.586 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.444 -0.614 2.100 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.803 2.840 1.287 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.686 -1.330 -0.237 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.047 2.124 -1.051 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.986 0.040 -1.818 1.00 0.00 H new ATOM 943 N THR A 66 -10.032 2.508 4.741 1.00 0.00 N ATOM 944 CA THR A 66 -11.362 3.104 4.725 1.00 0.00 C ATOM 945 C THR A 66 -11.337 4.469 4.044 1.00 0.00 C ATOM 946 O THR A 66 -10.653 5.386 4.497 1.00 0.00 O ATOM 947 CB THR A 66 -11.900 3.241 6.150 1.00 0.00 C ATOM 948 OG1 THR A 66 -11.691 2.047 6.882 1.00 0.00 O ATOM 949 CG2 THR A 66 -13.378 3.560 6.204 1.00 0.00 C ATOM 0 H THR A 66 -9.327 3.064 5.225 1.00 0.00 H new ATOM 0 HA THR A 66 -12.021 2.447 4.158 1.00 0.00 H new ATOM 0 HB THR A 66 -11.349 4.074 6.587 1.00 0.00 H new ATOM 0 HG1 THR A 66 -12.040 2.155 7.791 1.00 0.00 H new ATOM 0 HG21 THR A 66 -13.694 3.644 7.244 1.00 0.00 H new ATOM 0 HG22 THR A 66 -13.566 4.503 5.691 1.00 0.00 H new ATOM 0 HG23 THR A 66 -13.940 2.763 5.717 1.00 0.00 H new ATOM 957 N CYS A 67 -12.090 4.596 2.956 1.00 0.00 N ATOM 958 CA CYS A 67 -12.155 5.849 2.214 1.00 0.00 C ATOM 959 C CYS A 67 -13.376 5.880 1.301 1.00 0.00 C ATOM 960 O CYS A 67 -14.116 4.902 1.205 1.00 0.00 O ATOM 961 CB CYS A 67 -10.882 6.043 1.387 1.00 0.00 C ATOM 962 SG CYS A 67 -10.601 4.754 0.151 1.00 0.00 S ATOM 0 H CYS A 67 -12.663 3.846 2.569 1.00 0.00 H new ATOM 0 HA CYS A 67 -12.241 6.663 2.934 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -10.932 7.009 0.884 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -10.026 6.078 2.061 1.00 0.00 H new ATOM 0 HG CYS A 67 -11.685 4.051 0.003 1.00 0.00 H new ATOM 968 N LYS A 68 -13.581 7.012 0.634 1.00 0.00 N ATOM 969 CA LYS A 68 -14.713 7.172 -0.272 1.00 0.00 C ATOM 970 C LYS A 68 -14.545 6.300 -1.514 1.00 0.00 C ATOM 971 O LYS A 68 -13.477 5.734 -1.746 1.00 0.00 O ATOM 972 CB LYS A 68 -14.859 8.639 -0.679 1.00 0.00 C ATOM 973 CG LYS A 68 -15.772 9.437 0.240 1.00 0.00 C ATOM 974 CD LYS A 68 -14.993 10.464 1.048 1.00 0.00 C ATOM 975 CE LYS A 68 -14.607 9.920 2.414 1.00 0.00 C ATOM 976 NZ LYS A 68 -13.935 10.953 3.252 1.00 0.00 N ATOM 0 H LYS A 68 -12.978 7.832 0.704 1.00 0.00 H new ATOM 0 HA LYS A 68 -15.615 6.854 0.251 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.873 9.104 -0.691 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -15.248 8.688 -1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.535 9.942 -0.353 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -16.291 8.759 0.917 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.094 10.752 0.503 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -15.594 11.365 1.170 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.499 9.560 2.927 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.943 9.064 2.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.687 10.544 4.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.070 11.279 2.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.578 11.759 3.392 1.00 0.00 H new ATOM 990 N PRO A 69 -15.605 6.177 -2.332 1.00 0.00 N ATOM 991 CA PRO A 69 -15.569 5.367 -3.556 1.00 0.00 C ATOM 992 C PRO A 69 -14.486 5.831 -4.525 1.00 0.00 C ATOM 993 O PRO A 69 -14.446 6.998 -4.915 1.00 0.00 O ATOM 994 CB PRO A 69 -16.958 5.573 -4.170 1.00 0.00 C ATOM 995 CG PRO A 69 -17.817 6.027 -3.040 1.00 0.00 C ATOM 996 CD PRO A 69 -16.918 6.813 -2.131 1.00 0.00 C ATOM 0 HA PRO A 69 -15.336 4.324 -3.343 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -16.931 6.315 -4.968 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -17.337 4.649 -4.607 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -18.643 6.641 -3.399 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -18.256 5.177 -2.517 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -16.899 7.870 -2.397 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -17.241 6.752 -1.092 1.00 0.00 H new ATOM 1004 N ASN A 70 -13.611 4.908 -4.911 1.00 0.00 N ATOM 1005 CA ASN A 70 -12.528 5.220 -5.837 1.00 0.00 C ATOM 1006 C ASN A 70 -11.597 6.281 -5.257 1.00 0.00 C ATOM 1007 O ASN A 70 -11.350 7.313 -5.880 1.00 0.00 O ATOM 1008 CB ASN A 70 -13.096 5.696 -7.176 1.00 0.00 C ATOM 1009 CG ASN A 70 -13.476 4.545 -8.087 1.00 0.00 C ATOM 1010 OD1 ASN A 70 -13.767 3.442 -7.624 1.00 0.00 O ATOM 1011 ND2 ASN A 70 -13.473 4.795 -9.391 1.00 0.00 N ATOM 0 H ASN A 70 -13.631 3.938 -4.597 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.950 4.310 -5.998 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.973 6.317 -6.995 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.359 6.324 -7.677 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -13.718 4.058 -10.052 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -13.225 5.724 -9.732 1.00 0.00 H new ATOM 1018 N TYR A 71 -11.079 6.017 -4.060 1.00 0.00 N ATOM 1019 CA TYR A 71 -10.172 6.948 -3.399 1.00 0.00 C ATOM 1020 C TYR A 71 -8.843 6.272 -3.075 1.00 0.00 C ATOM 1021 O TYR A 71 -7.775 6.844 -3.292 1.00 0.00 O ATOM 1022 CB TYR A 71 -10.807 7.490 -2.116 1.00 0.00 C ATOM 1023 CG TYR A 71 -11.511 8.816 -2.301 1.00 0.00 C ATOM 1024 CD1 TYR A 71 -12.519 8.962 -3.246 1.00 0.00 C ATOM 1025 CD2 TYR A 71 -11.170 9.919 -1.530 1.00 0.00 C ATOM 1026 CE1 TYR A 71 -13.165 10.172 -3.418 1.00 0.00 C ATOM 1027 CE2 TYR A 71 -11.811 11.132 -1.695 1.00 0.00 C ATOM 1028 CZ TYR A 71 -12.808 11.253 -2.641 1.00 0.00 C ATOM 1029 OH TYR A 71 -13.449 12.459 -2.809 1.00 0.00 O ATOM 0 H TYR A 71 -11.272 5.167 -3.530 1.00 0.00 H new ATOM 0 HA TYR A 71 -9.983 7.778 -4.080 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.521 6.759 -1.737 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.033 7.602 -1.357 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -12.802 8.117 -3.856 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.390 9.827 -0.788 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -13.946 10.270 -4.158 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.533 11.980 -1.087 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.079 13.116 -2.183 1.00 0.00 H new ATOM 1039 N GLY A 72 -8.918 5.052 -2.556 1.00 0.00 N ATOM 1040 CA GLY A 72 -7.714 4.317 -2.211 1.00 0.00 C ATOM 1041 C GLY A 72 -7.298 3.344 -3.296 1.00 0.00 C ATOM 1042 O GLY A 72 -8.081 3.033 -4.195 1.00 0.00 O ATOM 0 H GLY A 72 -9.790 4.558 -2.368 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.902 5.021 -2.028 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.879 3.772 -1.282 1.00 0.00 H new ATOM 1046 N VAL A 73 -6.063 2.861 -3.213 1.00 0.00 N ATOM 1047 CA VAL A 73 -5.544 1.917 -4.196 1.00 0.00 C ATOM 1048 C VAL A 73 -4.552 0.950 -3.558 1.00 0.00 C ATOM 1049 O VAL A 73 -3.843 1.304 -2.617 1.00 0.00 O ATOM 1050 CB VAL A 73 -4.854 2.645 -5.365 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -5.880 3.375 -6.220 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -3.799 3.610 -4.846 1.00 0.00 C ATOM 0 H VAL A 73 -5.403 3.108 -2.475 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.398 1.358 -4.579 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.358 1.902 -5.989 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.374 3.883 -7.041 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.595 2.657 -6.623 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.407 4.108 -5.609 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.323 4.115 -5.686 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.270 4.349 -4.198 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.048 3.058 -4.281 1.00 0.00 H new ATOM 1062 N LEU A 74 -4.507 -0.271 -4.079 1.00 0.00 N ATOM 1063 CA LEU A 74 -3.602 -1.291 -3.559 1.00 0.00 C ATOM 1064 C LEU A 74 -2.446 -1.534 -4.525 1.00 0.00 C ATOM 1065 O LEU A 74 -2.656 -1.763 -5.715 1.00 0.00 O ATOM 1066 CB LEU A 74 -4.359 -2.597 -3.312 1.00 0.00 C ATOM 1067 CG LEU A 74 -4.934 -2.755 -1.902 1.00 0.00 C ATOM 1068 CD1 LEU A 74 -6.255 -3.508 -1.945 1.00 0.00 C ATOM 1069 CD2 LEU A 74 -3.940 -3.469 -1.000 1.00 0.00 C ATOM 0 H LEU A 74 -5.086 -0.579 -4.860 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.194 -0.932 -2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.175 -2.668 -4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.687 -3.432 -3.510 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.119 -1.762 -1.492 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.648 -3.611 -0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.968 -2.957 -2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.096 -4.497 -2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.364 -3.573 -0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.724 -4.457 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.018 -2.890 -0.944 1.00 0.00 H new ATOM 1081 N VAL A 75 -1.225 -1.481 -4.002 1.00 0.00 N ATOM 1082 CA VAL A 75 -0.035 -1.695 -4.817 1.00 0.00 C ATOM 1083 C VAL A 75 1.041 -2.439 -4.034 1.00 0.00 C ATOM 1084 O VAL A 75 0.849 -2.780 -2.866 1.00 0.00 O ATOM 1085 CB VAL A 75 0.545 -0.363 -5.326 1.00 0.00 C ATOM 1086 CG1 VAL A 75 -0.393 0.276 -6.339 1.00 0.00 C ATOM 1087 CG2 VAL A 75 0.809 0.581 -4.163 1.00 0.00 C ATOM 0 H VAL A 75 -1.034 -1.292 -3.018 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.342 -2.298 -5.671 1.00 0.00 H new ATOM 0 HB VAL A 75 1.494 -0.566 -5.823 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.034 1.216 -6.687 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.527 -0.397 -7.186 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.359 0.467 -5.871 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.219 1.518 -4.541 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.124 0.779 -3.636 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.522 0.123 -3.477 1.00 0.00 H new ATOM 1097 N ARG A 76 2.173 -2.689 -4.684 1.00 0.00 N ATOM 1098 CA ARG A 76 3.280 -3.394 -4.048 1.00 0.00 C ATOM 1099 C ARG A 76 4.455 -2.453 -3.795 1.00 0.00 C ATOM 1100 O ARG A 76 4.636 -1.466 -4.505 1.00 0.00 O ATOM 1101 CB ARG A 76 3.731 -4.567 -4.920 1.00 0.00 C ATOM 1102 CG ARG A 76 2.613 -5.542 -5.255 1.00 0.00 C ATOM 1103 CD ARG A 76 3.158 -6.920 -5.593 1.00 0.00 C ATOM 1104 NE ARG A 76 3.245 -7.136 -7.035 1.00 0.00 N ATOM 1105 CZ ARG A 76 3.452 -8.325 -7.595 1.00 0.00 C ATOM 1106 NH1 ARG A 76 3.594 -9.407 -6.840 1.00 0.00 N ATOM 1107 NH2 ARG A 76 3.518 -8.433 -8.915 1.00 0.00 N ATOM 0 H ARG A 76 2.348 -2.414 -5.651 1.00 0.00 H new ATOM 0 HA ARG A 76 2.931 -3.774 -3.088 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.153 -4.179 -5.847 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.529 -5.104 -4.407 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.929 -5.617 -4.410 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.037 -5.161 -6.098 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.146 -7.038 -5.149 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.517 -7.682 -5.150 1.00 0.00 H new ATOM 0 HE ARG A 76 3.141 -6.328 -7.649 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.545 -9.330 -5.824 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.752 -10.316 -7.276 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.410 -7.605 -9.500 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.677 -9.344 -9.345 1.00 0.00 H new ATOM 1121 N PRO A 77 5.274 -2.751 -2.766 1.00 0.00 N ATOM 1122 CA PRO A 77 6.436 -1.930 -2.423 1.00 0.00 C ATOM 1123 C PRO A 77 7.236 -1.558 -3.662 1.00 0.00 C ATOM 1124 O PRO A 77 7.489 -0.384 -3.927 1.00 0.00 O ATOM 1125 CB PRO A 77 7.250 -2.844 -1.509 1.00 0.00 C ATOM 1126 CG PRO A 77 6.234 -3.717 -0.856 1.00 0.00 C ATOM 1127 CD PRO A 77 5.132 -3.911 -1.865 1.00 0.00 C ATOM 0 HA PRO A 77 6.162 -0.984 -1.957 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.973 -3.431 -2.076 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.813 -2.270 -0.773 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.670 -4.673 -0.568 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.851 -3.255 0.054 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.243 -4.852 -2.403 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.152 -3.930 -1.389 1.00 0.00 H new ATOM 1135 N SER A 78 7.611 -2.577 -4.428 1.00 0.00 N ATOM 1136 CA SER A 78 8.360 -2.371 -5.657 1.00 0.00 C ATOM 1137 C SER A 78 7.598 -1.422 -6.572 1.00 0.00 C ATOM 1138 O SER A 78 8.187 -0.759 -7.425 1.00 0.00 O ATOM 1139 CB SER A 78 8.603 -3.704 -6.366 1.00 0.00 C ATOM 1140 OG SER A 78 9.882 -3.731 -6.976 1.00 0.00 O ATOM 0 H SER A 78 7.407 -3.554 -4.217 1.00 0.00 H new ATOM 0 HA SER A 78 9.326 -1.931 -5.410 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.521 -4.521 -5.649 1.00 0.00 H new ATOM 0 HB3 SER A 78 7.833 -3.864 -7.121 1.00 0.00 H new ATOM 0 HG SER A 78 10.014 -4.594 -7.421 1.00 0.00 H new ATOM 1146 N ARG A 79 6.281 -1.349 -6.374 1.00 0.00 N ATOM 1147 CA ARG A 79 5.446 -0.466 -7.173 1.00 0.00 C ATOM 1148 C ARG A 79 5.352 0.915 -6.528 1.00 0.00 C ATOM 1149 O ARG A 79 4.850 1.858 -7.140 1.00 0.00 O ATOM 1150 CB ARG A 79 4.048 -1.060 -7.351 1.00 0.00 C ATOM 1151 CG ARG A 79 4.050 -2.445 -7.979 1.00 0.00 C ATOM 1152 CD ARG A 79 4.523 -2.399 -9.423 1.00 0.00 C ATOM 1153 NE ARG A 79 3.407 -2.326 -10.365 1.00 0.00 N ATOM 1154 CZ ARG A 79 2.697 -3.382 -10.757 1.00 0.00 C ATOM 1155 NH1 ARG A 79 2.978 -4.592 -10.289 1.00 0.00 N ATOM 1156 NH2 ARG A 79 1.702 -3.226 -11.620 1.00 0.00 N ATOM 0 H ARG A 79 5.777 -1.889 -5.671 1.00 0.00 H new ATOM 0 HA ARG A 79 5.907 -0.361 -8.155 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.558 -1.112 -6.379 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.454 -0.390 -7.972 1.00 0.00 H new ATOM 0 HG2 ARG A 79 4.698 -3.106 -7.403 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.046 -2.867 -7.937 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.173 -1.535 -9.564 1.00 0.00 H new ATOM 0 HD3 ARG A 79 5.120 -3.285 -9.637 1.00 0.00 H new ATOM 0 HE ARG A 79 3.158 -1.412 -10.744 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.742 -4.717 -9.625 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.430 -5.397 -10.594 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.482 -2.298 -11.982 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.157 -4.034 -11.921 1.00 0.00 H new ATOM 1170 N VAL A 80 5.836 1.035 -5.289 1.00 0.00 N ATOM 1171 CA VAL A 80 5.799 2.313 -4.586 1.00 0.00 C ATOM 1172 C VAL A 80 7.195 2.750 -4.155 1.00 0.00 C ATOM 1173 O VAL A 80 8.143 1.966 -4.194 1.00 0.00 O ATOM 1174 CB VAL A 80 4.881 2.255 -3.350 1.00 0.00 C ATOM 1175 CG1 VAL A 80 3.450 1.943 -3.761 1.00 0.00 C ATOM 1176 CG2 VAL A 80 5.389 1.230 -2.348 1.00 0.00 C ATOM 0 H VAL A 80 6.253 0.270 -4.759 1.00 0.00 H new ATOM 0 HA VAL A 80 5.397 3.043 -5.288 1.00 0.00 H new ATOM 0 HB VAL A 80 4.894 3.233 -2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.817 1.906 -2.875 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.087 2.720 -4.434 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.419 0.979 -4.269 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.725 1.206 -1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.412 0.245 -2.815 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.394 1.503 -2.026 1.00 0.00 H new ATOM 1186 N THR A 81 7.316 4.010 -3.747 1.00 0.00 N ATOM 1187 CA THR A 81 8.599 4.551 -3.311 1.00 0.00 C ATOM 1188 C THR A 81 8.403 5.638 -2.260 1.00 0.00 C ATOM 1189 O THR A 81 7.399 6.349 -2.268 1.00 0.00 O ATOM 1190 CB THR A 81 9.371 5.116 -4.505 1.00 0.00 C ATOM 1191 OG1 THR A 81 8.491 5.761 -5.409 1.00 0.00 O ATOM 1192 CG2 THR A 81 10.131 4.061 -5.281 1.00 0.00 C ATOM 0 H THR A 81 6.543 4.674 -3.709 1.00 0.00 H new ATOM 0 HA THR A 81 9.174 3.739 -2.866 1.00 0.00 H new ATOM 0 HB THR A 81 10.088 5.818 -4.080 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.708 6.094 -4.922 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.656 4.529 -6.114 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.853 3.576 -4.624 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.432 3.318 -5.665 1.00 0.00 H new