USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 438 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 GLN : amide:sc= -3.16! C(o=-11!,f=-13!) USER MOD Set 1.2: A 37 GLN : amide:sc= -3.22! K(o=-11!,f=-8.4) USER MOD Set 1.3: A 41 GLN : amide:sc= -4.79! C(o=-11!,f=-15!) USER MOD Set 2.1: A 31 MET CE :methyl 164:sc= -14.9! (180deg=-12.5!) USER MOD Set 2.2: A 39 CYS SG : rot 52:sc= -1.49 USER MOD Set 3.1: A 29 SER OG : rot 70:sc= -1.91 USER MOD Set 3.2: A 58 LYS NZ :NH3+ -158:sc= 0.00333 (180deg=-0.66) USER MOD Set 4.1: A 26 SER OG : rot -82:sc= -0.0153 USER MOD Set 4.2: A 27 THR OG1 : rot 180:sc= 0.0417 USER MOD Single : A 15 SER OG : rot 180:sc= -0.589 USER MOD Single : A 19 GLN : amide:sc= -0.237 K(o=-0.24,f=-2.6!) USER MOD Single : A 21 MET CE :methyl -152:sc= -4.39! (180deg=-6.82!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= -3.89! C(o=-3.9!,f=-7.4!) USER MOD Single : A 32 ASN : amide:sc= -2.61 K(o=-2.6,f=-0.64) USER MOD Single : A 36 SER OG : rot -116:sc= 0.583 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -3.51! C(o=-3.5!,f=-6.1!) USER MOD Single : A 44 ASN : amide:sc= -2.64! C(o=-2.6!,f=-2.3!) USER MOD Single : A 47 TYR OH : rot 80:sc= -3.56! USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 39:sc= -1.3! USER MOD Single : A 52 GLN : amide:sc= -4.31 K(o=-4.3,f=-11!) USER MOD Single : A 55 THR OG1 : rot -73:sc= 0.191 USER MOD Single : A 56 HIS : no HE2:sc= -2.28 K(o=-2.3,f=-2.9!) USER MOD Single : A 60 LYS NZ :NH3+ -147:sc= -0.445 (180deg=-1.88!) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 160 N LEU A 14 15.818 0.487 1.636 1.00 0.00 N ATOM 161 CA LEU A 14 14.753 1.382 2.072 1.00 0.00 C ATOM 162 C LEU A 14 15.273 2.380 3.106 1.00 0.00 C ATOM 163 O LEU A 14 16.386 2.243 3.613 1.00 0.00 O ATOM 164 CB LEU A 14 13.585 0.572 2.645 1.00 0.00 C ATOM 165 CG LEU A 14 12.333 1.377 3.008 1.00 0.00 C ATOM 166 CD1 LEU A 14 11.842 2.201 1.826 1.00 0.00 C ATOM 167 CD2 LEU A 14 11.230 0.454 3.484 1.00 0.00 C ATOM 0 HA LEU A 14 14.398 1.945 1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.306 -0.192 1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 14 13.931 0.051 3.538 1.00 0.00 H new ATOM 0 HG LEU A 14 12.602 2.060 3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.953 2.760 2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.623 2.896 1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.598 1.538 0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.348 1.042 3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 14 10.980 -0.252 2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.568 -0.092 4.365 1.00 0.00 H new ATOM 179 N SER A 15 14.461 3.386 3.402 1.00 0.00 N ATOM 180 CA SER A 15 14.819 4.424 4.360 1.00 0.00 C ATOM 181 C SER A 15 13.557 4.916 5.058 1.00 0.00 C ATOM 182 O SER A 15 12.505 4.312 4.898 1.00 0.00 O ATOM 183 CB SER A 15 15.522 5.570 3.627 1.00 0.00 C ATOM 184 OG SER A 15 14.595 6.559 3.216 1.00 0.00 O ATOM 0 H SER A 15 13.537 3.506 2.986 1.00 0.00 H new ATOM 0 HA SER A 15 15.501 4.026 5.112 1.00 0.00 H new ATOM 0 HB2 SER A 15 16.271 6.018 4.280 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.051 5.179 2.758 1.00 0.00 H new ATOM 0 HG SER A 15 15.070 7.280 2.752 1.00 0.00 H new ATOM 190 N PRO A 16 13.628 6.003 5.846 1.00 0.00 N ATOM 191 CA PRO A 16 12.452 6.537 6.543 1.00 0.00 C ATOM 192 C PRO A 16 11.254 6.695 5.607 1.00 0.00 C ATOM 193 O PRO A 16 10.108 6.683 6.048 1.00 0.00 O ATOM 194 CB PRO A 16 12.935 7.897 7.047 1.00 0.00 C ATOM 195 CG PRO A 16 14.406 7.727 7.213 1.00 0.00 C ATOM 196 CD PRO A 16 14.842 6.789 6.126 1.00 0.00 C ATOM 0 HA PRO A 16 12.102 5.877 7.337 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.704 8.690 6.336 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.457 8.165 7.989 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.921 8.684 7.131 1.00 0.00 H new ATOM 0 HG3 PRO A 16 14.643 7.321 8.196 1.00 0.00 H new ATOM 0 HD2 PRO A 16 15.184 7.329 5.243 1.00 0.00 H new ATOM 0 HD3 PRO A 16 15.666 6.154 6.450 1.00 0.00 H new ATOM 204 N GLU A 17 11.533 6.822 4.308 1.00 0.00 N ATOM 205 CA GLU A 17 10.507 6.960 3.283 1.00 0.00 C ATOM 206 C GLU A 17 9.328 6.036 3.551 1.00 0.00 C ATOM 207 O GLU A 17 8.185 6.332 3.200 1.00 0.00 O ATOM 208 CB GLU A 17 11.179 6.650 1.923 1.00 0.00 C ATOM 209 CG GLU A 17 10.571 5.519 1.067 1.00 0.00 C ATOM 210 CD GLU A 17 10.686 5.800 -0.418 1.00 0.00 C ATOM 211 OE1 GLU A 17 10.320 6.916 -0.841 1.00 0.00 O ATOM 212 OE2 GLU A 17 11.144 4.903 -1.158 1.00 0.00 O ATOM 0 H GLU A 17 12.484 6.832 3.940 1.00 0.00 H new ATOM 0 HA GLU A 17 10.100 7.971 3.282 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.170 7.563 1.328 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.224 6.403 2.113 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.075 4.580 1.297 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.521 5.390 1.331 1.00 0.00 H new ATOM 219 N GLN A 18 9.638 4.908 4.141 1.00 0.00 N ATOM 220 CA GLN A 18 8.660 3.900 4.438 1.00 0.00 C ATOM 221 C GLN A 18 7.582 4.413 5.348 1.00 0.00 C ATOM 222 O GLN A 18 6.431 4.499 4.972 1.00 0.00 O ATOM 223 CB GLN A 18 9.344 2.703 5.082 1.00 0.00 C ATOM 224 CG GLN A 18 8.608 1.416 4.835 1.00 0.00 C ATOM 225 CD GLN A 18 8.949 0.334 5.840 1.00 0.00 C ATOM 226 OE1 GLN A 18 9.603 -0.655 5.509 1.00 0.00 O ATOM 227 NE2 GLN A 18 8.506 0.517 7.079 1.00 0.00 N ATOM 0 H GLN A 18 10.586 4.665 4.430 1.00 0.00 H new ATOM 0 HA GLN A 18 8.189 3.607 3.500 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.359 2.617 4.694 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.426 2.870 6.156 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.535 1.606 4.865 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.840 1.058 3.832 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.967 1.352 7.310 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.705 -0.177 7.799 1.00 0.00 H new ATOM 236 N GLN A 19 7.956 4.727 6.553 1.00 0.00 N ATOM 237 CA GLN A 19 6.989 5.203 7.525 1.00 0.00 C ATOM 238 C GLN A 19 6.424 6.556 7.125 1.00 0.00 C ATOM 239 O GLN A 19 5.349 6.943 7.583 1.00 0.00 O ATOM 240 CB GLN A 19 7.603 5.269 8.923 1.00 0.00 C ATOM 241 CG GLN A 19 6.707 4.694 10.009 1.00 0.00 C ATOM 242 CD GLN A 19 7.181 3.340 10.500 1.00 0.00 C ATOM 243 OE1 GLN A 19 8.154 2.787 9.987 1.00 0.00 O ATOM 244 NE2 GLN A 19 6.494 2.798 11.498 1.00 0.00 N ATOM 0 H GLN A 19 8.915 4.666 6.895 1.00 0.00 H new ATOM 0 HA GLN A 19 6.167 4.488 7.546 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.550 4.729 8.921 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.829 6.308 9.163 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.669 5.388 10.849 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.691 4.602 9.625 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.694 3.292 11.893 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.766 1.888 11.869 1.00 0.00 H new ATOM 253 N GLU A 20 7.125 7.264 6.252 1.00 0.00 N ATOM 254 CA GLU A 20 6.639 8.549 5.792 1.00 0.00 C ATOM 255 C GLU A 20 5.383 8.329 4.969 1.00 0.00 C ATOM 256 O GLU A 20 4.481 9.167 4.944 1.00 0.00 O ATOM 257 CB GLU A 20 7.705 9.267 4.960 1.00 0.00 C ATOM 258 CG GLU A 20 8.219 10.544 5.603 1.00 0.00 C ATOM 259 CD GLU A 20 7.197 11.664 5.571 1.00 0.00 C ATOM 260 OE1 GLU A 20 6.017 11.384 5.274 1.00 0.00 O ATOM 261 OE2 GLU A 20 7.578 12.823 5.845 1.00 0.00 O ATOM 0 H GLU A 20 8.018 6.973 5.855 1.00 0.00 H new ATOM 0 HA GLU A 20 6.411 9.179 6.652 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.543 8.590 4.796 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.290 9.505 3.980 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.497 10.340 6.637 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.124 10.867 5.088 1.00 0.00 H new ATOM 268 N MET A 21 5.339 7.186 4.288 1.00 0.00 N ATOM 269 CA MET A 21 4.212 6.834 3.453 1.00 0.00 C ATOM 270 C MET A 21 3.292 5.834 4.131 1.00 0.00 C ATOM 271 O MET A 21 2.164 6.166 4.451 1.00 0.00 O ATOM 272 CB MET A 21 4.743 6.262 2.151 1.00 0.00 C ATOM 273 CG MET A 21 5.304 7.333 1.247 1.00 0.00 C ATOM 274 SD MET A 21 5.382 6.838 -0.482 1.00 0.00 S ATOM 275 CE MET A 21 5.998 8.348 -1.223 1.00 0.00 C ATOM 0 H MET A 21 6.082 6.488 4.304 1.00 0.00 H new ATOM 0 HA MET A 21 3.620 7.730 3.265 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.519 5.528 2.368 1.00 0.00 H new ATOM 0 HB3 MET A 21 3.941 5.735 1.634 1.00 0.00 H new ATOM 0 HG2 MET A 21 4.690 8.230 1.333 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.305 7.598 1.587 1.00 0.00 H new ATOM 0 HE1 MET A 21 5.653 8.414 -2.255 1.00 0.00 H new ATOM 0 HE2 MET A 21 5.629 9.206 -0.661 1.00 0.00 H new ATOM 0 HE3 MET A 21 7.088 8.344 -1.204 1.00 0.00 H new ATOM 285 N LEU A 22 3.794 4.615 4.320 1.00 0.00 N ATOM 286 CA LEU A 22 3.056 3.504 4.938 1.00 0.00 C ATOM 287 C LEU A 22 1.905 3.963 5.831 1.00 0.00 C ATOM 288 O LEU A 22 0.804 3.421 5.755 1.00 0.00 O ATOM 289 CB LEU A 22 4.019 2.636 5.753 1.00 0.00 C ATOM 290 CG LEU A 22 4.335 1.266 5.152 1.00 0.00 C ATOM 291 CD1 LEU A 22 5.076 0.405 6.164 1.00 0.00 C ATOM 292 CD2 LEU A 22 3.060 0.577 4.692 1.00 0.00 C ATOM 0 H LEU A 22 4.743 4.362 4.044 1.00 0.00 H new ATOM 0 HA LEU A 22 2.614 2.931 4.123 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.954 3.182 5.881 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.597 2.489 6.747 1.00 0.00 H new ATOM 0 HG LEU A 22 4.977 1.408 4.283 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.295 -0.568 5.723 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.009 0.894 6.444 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.456 0.270 7.050 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.305 -0.396 4.267 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.391 0.444 5.542 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.568 1.189 3.936 1.00 0.00 H new ATOM 304 N GLN A 23 2.158 4.959 6.672 1.00 0.00 N ATOM 305 CA GLN A 23 1.121 5.464 7.560 1.00 0.00 C ATOM 306 C GLN A 23 -0.017 6.073 6.756 1.00 0.00 C ATOM 307 O GLN A 23 -1.162 5.627 6.845 1.00 0.00 O ATOM 308 CB GLN A 23 1.685 6.506 8.525 1.00 0.00 C ATOM 309 CG GLN A 23 0.620 7.158 9.394 1.00 0.00 C ATOM 310 CD GLN A 23 0.754 8.667 9.450 1.00 0.00 C ATOM 311 OE1 GLN A 23 0.140 9.386 8.662 1.00 0.00 O ATOM 312 NE2 GLN A 23 1.562 9.154 10.383 1.00 0.00 N ATOM 0 H GLN A 23 3.060 5.427 6.757 1.00 0.00 H new ATOM 0 HA GLN A 23 0.740 4.623 8.140 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.428 6.033 9.167 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.202 7.278 7.954 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.366 6.899 9.009 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.684 6.754 10.404 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.051 8.521 11.015 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.694 10.162 10.468 1.00 0.00 H new ATOM 321 N ALA A 24 0.301 7.096 5.971 1.00 0.00 N ATOM 322 CA ALA A 24 -0.699 7.763 5.154 1.00 0.00 C ATOM 323 C ALA A 24 -1.158 6.877 3.992 1.00 0.00 C ATOM 324 O ALA A 24 -2.103 7.219 3.281 1.00 0.00 O ATOM 325 CB ALA A 24 -0.148 9.082 4.643 1.00 0.00 C ATOM 0 H ALA A 24 1.242 7.479 5.885 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.573 7.959 5.775 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.901 9.578 4.031 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.111 9.720 5.488 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.742 8.896 4.042 1.00 0.00 H new ATOM 331 N PHE A 25 -0.498 5.733 3.808 1.00 0.00 N ATOM 332 CA PHE A 25 -0.851 4.810 2.748 1.00 0.00 C ATOM 333 C PHE A 25 -1.782 3.722 3.276 1.00 0.00 C ATOM 334 O PHE A 25 -2.504 3.086 2.514 1.00 0.00 O ATOM 335 CB PHE A 25 0.411 4.179 2.160 1.00 0.00 C ATOM 336 CG PHE A 25 0.174 3.400 0.896 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.516 2.197 0.917 1.00 0.00 C ATOM 338 CD2 PHE A 25 0.651 3.869 -0.317 1.00 0.00 C ATOM 339 CE1 PHE A 25 -0.725 1.480 -0.247 1.00 0.00 C ATOM 340 CE2 PHE A 25 0.446 3.154 -1.480 1.00 0.00 C ATOM 341 CZ PHE A 25 -0.243 1.960 -1.443 1.00 0.00 C ATOM 0 H PHE A 25 0.286 5.430 4.386 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.370 5.363 1.965 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.138 4.966 1.959 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.855 3.518 2.904 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.895 1.816 1.854 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.189 4.805 -0.353 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.265 0.545 -0.217 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.825 3.530 -2.419 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.404 1.401 -2.353 1.00 0.00 H new ATOM 351 N SER A 26 -1.766 3.515 4.591 1.00 0.00 N ATOM 352 CA SER A 26 -2.617 2.511 5.208 1.00 0.00 C ATOM 353 C SER A 26 -4.077 2.907 5.053 1.00 0.00 C ATOM 354 O SER A 26 -4.936 2.070 4.777 1.00 0.00 O ATOM 355 CB SER A 26 -2.257 2.341 6.687 1.00 0.00 C ATOM 356 OG SER A 26 -3.114 3.103 7.522 1.00 0.00 O ATOM 0 H SER A 26 -1.174 4.029 5.244 1.00 0.00 H new ATOM 0 HA SER A 26 -2.458 1.555 4.708 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.324 1.288 6.960 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.223 2.647 6.848 1.00 0.00 H new ATOM 0 HG SER A 26 -2.804 4.032 7.548 1.00 0.00 H new ATOM 362 N THR A 27 -4.347 4.199 5.219 1.00 0.00 N ATOM 363 CA THR A 27 -5.701 4.720 5.080 1.00 0.00 C ATOM 364 C THR A 27 -6.159 4.701 3.616 1.00 0.00 C ATOM 365 O THR A 27 -7.318 4.995 3.323 1.00 0.00 O ATOM 366 CB THR A 27 -5.778 6.145 5.629 1.00 0.00 C ATOM 367 OG1 THR A 27 -4.764 6.366 6.594 1.00 0.00 O ATOM 368 CG2 THR A 27 -7.108 6.464 6.281 1.00 0.00 C ATOM 0 H THR A 27 -3.646 4.903 5.450 1.00 0.00 H new ATOM 0 HA THR A 27 -6.367 4.075 5.654 1.00 0.00 H new ATOM 0 HB THR A 27 -5.649 6.795 4.764 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.829 7.284 6.932 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.096 7.490 6.649 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.908 6.350 5.550 1.00 0.00 H new ATOM 0 HG23 THR A 27 -7.278 5.782 7.114 1.00 0.00 H new ATOM 376 N GLN A 28 -5.246 4.356 2.699 1.00 0.00 N ATOM 377 CA GLN A 28 -5.560 4.304 1.268 1.00 0.00 C ATOM 378 C GLN A 28 -6.943 3.691 1.020 1.00 0.00 C ATOM 379 O GLN A 28 -7.949 4.399 1.054 1.00 0.00 O ATOM 380 CB GLN A 28 -4.492 3.502 0.520 1.00 0.00 C ATOM 381 CG GLN A 28 -3.294 4.318 0.065 1.00 0.00 C ATOM 382 CD GLN A 28 -3.685 5.623 -0.601 1.00 0.00 C ATOM 383 OE1 GLN A 28 -4.252 5.631 -1.693 1.00 0.00 O ATOM 384 NE2 GLN A 28 -3.383 6.737 0.057 1.00 0.00 N ATOM 0 H GLN A 28 -4.283 4.109 2.925 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.571 5.327 0.893 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.143 2.696 1.165 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.950 3.036 -0.352 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.659 4.531 0.925 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.700 3.725 -0.631 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.912 6.684 0.960 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.622 7.645 -0.341 1.00 0.00 H new ATOM 393 N SER A 29 -6.999 2.377 0.786 1.00 0.00 N ATOM 394 CA SER A 29 -8.274 1.717 0.556 1.00 0.00 C ATOM 395 C SER A 29 -8.823 1.138 1.858 1.00 0.00 C ATOM 396 O SER A 29 -10.018 0.862 1.969 1.00 0.00 O ATOM 397 CB SER A 29 -8.157 0.613 -0.493 1.00 0.00 C ATOM 398 OG SER A 29 -9.366 0.474 -1.219 1.00 0.00 O ATOM 0 H SER A 29 -6.186 1.762 0.752 1.00 0.00 H new ATOM 0 HA SER A 29 -8.965 2.471 0.179 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.341 0.842 -1.178 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.909 -0.331 -0.007 1.00 0.00 H new ATOM 0 HG SER A 29 -9.493 1.256 -1.795 1.00 0.00 H new ATOM 404 N GLY A 30 -7.943 0.963 2.846 1.00 0.00 N ATOM 405 CA GLY A 30 -8.364 0.426 4.127 1.00 0.00 C ATOM 406 C GLY A 30 -7.466 -0.691 4.644 1.00 0.00 C ATOM 407 O GLY A 30 -7.784 -1.322 5.652 1.00 0.00 O ATOM 0 H GLY A 30 -6.949 1.184 2.779 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.386 1.232 4.860 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.383 0.050 4.037 1.00 0.00 H new ATOM 411 N MET A 31 -6.349 -0.945 3.963 1.00 0.00 N ATOM 412 CA MET A 31 -5.428 -2.002 4.381 1.00 0.00 C ATOM 413 C MET A 31 -4.703 -1.627 5.674 1.00 0.00 C ATOM 414 O MET A 31 -4.941 -0.560 6.240 1.00 0.00 O ATOM 415 CB MET A 31 -4.410 -2.286 3.277 1.00 0.00 C ATOM 416 CG MET A 31 -3.355 -1.204 3.123 1.00 0.00 C ATOM 417 SD MET A 31 -2.720 -1.089 1.441 1.00 0.00 S ATOM 418 CE MET A 31 -2.685 -2.817 0.970 1.00 0.00 C ATOM 0 H MET A 31 -6.061 -0.438 3.126 1.00 0.00 H new ATOM 0 HA MET A 31 -6.015 -2.901 4.568 1.00 0.00 H new ATOM 0 HB2 MET A 31 -3.916 -3.235 3.486 1.00 0.00 H new ATOM 0 HB3 MET A 31 -4.938 -2.403 2.330 1.00 0.00 H new ATOM 0 HG2 MET A 31 -3.780 -0.243 3.413 1.00 0.00 H new ATOM 0 HG3 MET A 31 -2.530 -1.407 3.806 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.592 -2.897 -0.113 1.00 0.00 H new ATOM 0 HE2 MET A 31 -1.835 -3.306 1.445 1.00 0.00 H new ATOM 0 HE3 MET A 31 -3.608 -3.300 1.291 1.00 0.00 H new ATOM 428 N ASN A 32 -3.811 -2.508 6.137 1.00 0.00 N ATOM 429 CA ASN A 32 -3.054 -2.248 7.361 1.00 0.00 C ATOM 430 C ASN A 32 -1.706 -1.614 7.042 1.00 0.00 C ATOM 431 O ASN A 32 -1.426 -1.273 5.893 1.00 0.00 O ATOM 432 CB ASN A 32 -2.859 -3.531 8.177 1.00 0.00 C ATOM 433 CG ASN A 32 -4.144 -4.005 8.813 1.00 0.00 C ATOM 434 OD1 ASN A 32 -4.650 -3.399 9.758 1.00 0.00 O ATOM 435 ND2 ASN A 32 -4.678 -5.097 8.295 1.00 0.00 N ATOM 0 H ASN A 32 -3.598 -3.398 5.687 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.633 -1.547 7.963 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -2.466 -4.315 7.530 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -2.115 -3.356 8.954 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -5.546 -5.472 8.678 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -4.222 -5.565 7.512 1.00 0.00 H new ATOM 442 N LEU A 33 -0.874 -1.452 8.066 1.00 0.00 N ATOM 443 CA LEU A 33 0.445 -0.853 7.900 1.00 0.00 C ATOM 444 C LEU A 33 1.490 -1.895 7.502 1.00 0.00 C ATOM 445 O LEU A 33 2.690 -1.664 7.656 1.00 0.00 O ATOM 446 CB LEU A 33 0.871 -0.170 9.203 1.00 0.00 C ATOM 447 CG LEU A 33 0.814 1.357 9.185 1.00 0.00 C ATOM 448 CD1 LEU A 33 1.600 1.901 8.006 1.00 0.00 C ATOM 449 CD2 LEU A 33 -0.630 1.836 9.136 1.00 0.00 C ATOM 0 H LEU A 33 -1.092 -1.729 9.023 1.00 0.00 H new ATOM 0 HA LEU A 33 0.380 -0.117 7.099 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.234 -0.532 10.010 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.890 -0.477 9.439 1.00 0.00 H new ATOM 0 HG LEU A 33 1.267 1.732 10.103 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.550 2.990 8.007 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.640 1.585 8.086 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.175 1.519 7.078 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.652 2.926 9.124 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.110 1.453 8.235 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.164 1.472 10.014 1.00 0.00 H new ATOM 461 N GLU A 34 1.042 -3.046 7.001 1.00 0.00 N ATOM 462 CA GLU A 34 1.966 -4.101 6.606 1.00 0.00 C ATOM 463 C GLU A 34 1.778 -4.522 5.158 1.00 0.00 C ATOM 464 O GLU A 34 2.739 -4.898 4.487 1.00 0.00 O ATOM 465 CB GLU A 34 1.806 -5.313 7.525 1.00 0.00 C ATOM 466 CG GLU A 34 1.882 -4.971 9.003 1.00 0.00 C ATOM 467 CD GLU A 34 3.256 -5.230 9.590 1.00 0.00 C ATOM 468 OE1 GLU A 34 4.142 -4.364 9.432 1.00 0.00 O ATOM 469 OE2 GLU A 34 3.446 -6.299 10.209 1.00 0.00 O ATOM 0 H GLU A 34 0.056 -3.267 6.861 1.00 0.00 H new ATOM 0 HA GLU A 34 2.974 -3.697 6.701 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.847 -5.790 7.320 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.581 -6.042 7.289 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.623 -3.922 9.143 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.142 -5.558 9.547 1.00 0.00 H new ATOM 476 N TRP A 35 0.554 -4.447 4.670 1.00 0.00 N ATOM 477 CA TRP A 35 0.280 -4.813 3.289 1.00 0.00 C ATOM 478 C TRP A 35 0.434 -3.592 2.394 1.00 0.00 C ATOM 479 O TRP A 35 0.662 -3.712 1.189 1.00 0.00 O ATOM 480 CB TRP A 35 -1.114 -5.436 3.147 1.00 0.00 C ATOM 481 CG TRP A 35 -1.559 -6.180 4.364 1.00 0.00 C ATOM 482 CD1 TRP A 35 -1.965 -5.668 5.561 1.00 0.00 C ATOM 483 CD2 TRP A 35 -1.623 -7.586 4.490 1.00 0.00 C ATOM 484 NE1 TRP A 35 -2.284 -6.689 6.423 1.00 0.00 N ATOM 485 CE2 TRP A 35 -2.077 -7.879 5.783 1.00 0.00 C ATOM 486 CE3 TRP A 35 -1.339 -8.618 3.620 1.00 0.00 C ATOM 487 CZ2 TRP A 35 -2.248 -9.182 6.227 1.00 0.00 C ATOM 488 CZ3 TRP A 35 -1.508 -9.920 4.056 1.00 0.00 C ATOM 489 CH2 TRP A 35 -1.959 -10.190 5.351 1.00 0.00 C ATOM 0 H TRP A 35 -0.261 -4.139 5.201 1.00 0.00 H new ATOM 0 HA TRP A 35 1.002 -5.568 2.976 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.835 -4.648 2.928 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -1.115 -6.115 2.295 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.027 -4.616 5.796 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -2.619 -6.578 7.380 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -0.992 -8.414 2.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -2.596 -9.392 7.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.288 -10.739 3.387 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -2.082 -11.216 5.666 1.00 0.00 H new ATOM 500 N SER A 36 0.335 -2.413 3.002 1.00 0.00 N ATOM 501 CA SER A 36 0.488 -1.163 2.281 1.00 0.00 C ATOM 502 C SER A 36 1.945 -0.955 1.874 1.00 0.00 C ATOM 503 O SER A 36 2.227 -0.401 0.811 1.00 0.00 O ATOM 504 CB SER A 36 0.009 0.002 3.149 1.00 0.00 C ATOM 505 OG SER A 36 0.287 -0.234 4.518 1.00 0.00 O ATOM 0 H SER A 36 0.148 -2.302 3.999 1.00 0.00 H new ATOM 0 HA SER A 36 -0.119 -1.204 1.377 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.497 0.923 2.829 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.063 0.145 3.012 1.00 0.00 H new ATOM 0 HG SER A 36 -0.554 -0.299 5.016 1.00 0.00 H new ATOM 511 N GLN A 37 2.873 -1.408 2.721 1.00 0.00 N ATOM 512 CA GLN A 37 4.296 -1.269 2.430 1.00 0.00 C ATOM 513 C GLN A 37 4.644 -1.927 1.100 1.00 0.00 C ATOM 514 O GLN A 37 5.366 -1.355 0.284 1.00 0.00 O ATOM 515 CB GLN A 37 5.140 -1.881 3.548 1.00 0.00 C ATOM 516 CG GLN A 37 6.563 -1.354 3.588 1.00 0.00 C ATOM 517 CD GLN A 37 7.575 -2.427 3.932 1.00 0.00 C ATOM 518 OE1 GLN A 37 7.224 -3.479 4.466 1.00 0.00 O ATOM 519 NE2 GLN A 37 8.840 -2.166 3.628 1.00 0.00 N ATOM 0 H GLN A 37 2.664 -1.870 3.606 1.00 0.00 H new ATOM 0 HA GLN A 37 4.520 -0.204 2.363 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.660 -1.682 4.506 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.165 -2.964 3.423 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.813 -0.922 2.619 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.628 -0.551 4.322 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.086 -1.280 3.186 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.566 -2.851 3.837 1.00 0.00 H new ATOM 528 N LYS A 38 4.121 -3.131 0.882 1.00 0.00 N ATOM 529 CA LYS A 38 4.377 -3.854 -0.358 1.00 0.00 C ATOM 530 C LYS A 38 3.870 -3.051 -1.546 1.00 0.00 C ATOM 531 O LYS A 38 4.448 -3.090 -2.633 1.00 0.00 O ATOM 532 CB LYS A 38 3.704 -5.229 -0.325 1.00 0.00 C ATOM 533 CG LYS A 38 4.642 -6.373 -0.673 1.00 0.00 C ATOM 534 CD LYS A 38 3.899 -7.696 -0.756 1.00 0.00 C ATOM 535 CE LYS A 38 4.858 -8.875 -0.736 1.00 0.00 C ATOM 536 NZ LYS A 38 4.509 -9.892 -1.768 1.00 0.00 N ATOM 0 H LYS A 38 3.521 -3.623 1.544 1.00 0.00 H new ATOM 0 HA LYS A 38 5.453 -3.997 -0.461 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.291 -5.398 0.669 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.867 -5.231 -1.023 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.130 -6.168 -1.626 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.428 -6.442 0.079 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.204 -7.777 0.079 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.305 -7.724 -1.669 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.874 -8.519 -0.906 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.843 -9.339 0.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.186 -10.680 -1.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.549 -10.250 -1.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.548 -9.457 -2.712 1.00 0.00 H new ATOM 550 N CYS A 39 2.791 -2.312 -1.324 1.00 0.00 N ATOM 551 CA CYS A 39 2.201 -1.479 -2.362 1.00 0.00 C ATOM 552 C CYS A 39 3.124 -0.316 -2.691 1.00 0.00 C ATOM 553 O CYS A 39 3.151 0.175 -3.819 1.00 0.00 O ATOM 554 CB CYS A 39 0.847 -0.946 -1.897 1.00 0.00 C ATOM 555 SG CYS A 39 -0.240 -2.212 -1.201 1.00 0.00 S ATOM 0 H CYS A 39 2.304 -2.273 -0.428 1.00 0.00 H new ATOM 0 HA CYS A 39 2.060 -2.084 -3.257 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.011 -0.170 -1.149 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.344 -0.474 -2.741 1.00 0.00 H new ATOM 0 HG CYS A 39 0.395 -2.868 -0.276 1.00 0.00 H new ATOM 561 N LEU A 40 3.873 0.119 -1.687 1.00 0.00 N ATOM 562 CA LEU A 40 4.799 1.229 -1.844 1.00 0.00 C ATOM 563 C LEU A 40 6.227 0.750 -2.046 1.00 0.00 C ATOM 564 O LEU A 40 7.170 1.520 -1.905 1.00 0.00 O ATOM 565 CB LEU A 40 4.744 2.119 -0.620 1.00 0.00 C ATOM 566 CG LEU A 40 3.416 2.817 -0.406 1.00 0.00 C ATOM 567 CD1 LEU A 40 3.065 2.816 1.051 1.00 0.00 C ATOM 568 CD2 LEU A 40 3.483 4.232 -0.929 1.00 0.00 C ATOM 0 H LEU A 40 3.856 -0.284 -0.750 1.00 0.00 H new ATOM 0 HA LEU A 40 4.497 1.785 -2.731 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.969 1.518 0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.527 2.873 -0.700 1.00 0.00 H new ATOM 0 HG LEU A 40 2.641 2.280 -0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.109 3.320 1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.991 1.788 1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.839 3.339 1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.524 4.724 -0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.263 4.779 -0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.710 4.216 -1.995 1.00 0.00 H new ATOM 580 N GLN A 41 6.386 -0.517 -2.370 1.00 0.00 N ATOM 581 CA GLN A 41 7.711 -1.074 -2.592 1.00 0.00 C ATOM 582 C GLN A 41 7.871 -1.495 -4.049 1.00 0.00 C ATOM 583 O GLN A 41 8.965 -1.425 -4.610 1.00 0.00 O ATOM 584 CB GLN A 41 7.961 -2.260 -1.660 1.00 0.00 C ATOM 585 CG GLN A 41 8.210 -1.857 -0.216 1.00 0.00 C ATOM 586 CD GLN A 41 8.019 -3.008 0.752 1.00 0.00 C ATOM 587 OE1 GLN A 41 6.892 -3.381 1.076 1.00 0.00 O ATOM 588 NE2 GLN A 41 9.124 -3.576 1.221 1.00 0.00 N ATOM 0 H GLN A 41 5.620 -1.180 -2.486 1.00 0.00 H new ATOM 0 HA GLN A 41 8.450 -0.305 -2.370 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.101 -2.929 -1.699 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.820 -2.823 -2.025 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.225 -1.471 -0.120 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.534 -1.045 0.053 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.038 -3.234 0.925 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.058 -4.354 1.877 1.00 0.00 H new ATOM 597 N ASP A 42 6.767 -1.912 -4.661 1.00 0.00 N ATOM 598 CA ASP A 42 6.775 -2.323 -6.058 1.00 0.00 C ATOM 599 C ASP A 42 6.746 -1.096 -6.963 1.00 0.00 C ATOM 600 O ASP A 42 7.250 -1.123 -8.086 1.00 0.00 O ATOM 601 CB ASP A 42 5.574 -3.220 -6.358 1.00 0.00 C ATOM 602 CG ASP A 42 5.904 -4.695 -6.220 1.00 0.00 C ATOM 603 OD1 ASP A 42 7.079 -5.061 -6.429 1.00 0.00 O ATOM 604 OD2 ASP A 42 4.986 -5.481 -5.905 1.00 0.00 O ATOM 0 H ASP A 42 5.855 -1.974 -4.209 1.00 0.00 H new ATOM 0 HA ASP A 42 7.688 -2.887 -6.249 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.758 -2.968 -5.681 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.221 -3.023 -7.370 1.00 0.00 H new ATOM 609 N ASN A 43 6.153 -0.019 -6.458 1.00 0.00 N ATOM 610 CA ASN A 43 6.051 1.227 -7.204 1.00 0.00 C ATOM 611 C ASN A 43 7.175 2.195 -6.829 1.00 0.00 C ATOM 612 O ASN A 43 7.377 3.207 -7.500 1.00 0.00 O ATOM 613 CB ASN A 43 4.688 1.873 -6.962 1.00 0.00 C ATOM 614 CG ASN A 43 3.554 1.030 -7.510 1.00 0.00 C ATOM 615 OD1 ASN A 43 2.877 1.421 -8.461 1.00 0.00 O ATOM 616 ND2 ASN A 43 3.339 -0.136 -6.909 1.00 0.00 N ATOM 0 H ASN A 43 5.734 0.014 -5.529 1.00 0.00 H new ATOM 0 HA ASN A 43 6.152 0.996 -8.264 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.543 2.024 -5.892 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.666 2.858 -7.429 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.588 -0.746 -7.233 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.925 -0.421 -6.124 1.00 0.00 H new ATOM 623 N ASN A 44 7.918 1.868 -5.766 1.00 0.00 N ATOM 624 CA ASN A 44 9.041 2.691 -5.310 1.00 0.00 C ATOM 625 C ASN A 44 8.593 3.853 -4.426 1.00 0.00 C ATOM 626 O ASN A 44 9.211 4.917 -4.443 1.00 0.00 O ATOM 627 CB ASN A 44 9.849 3.227 -6.498 1.00 0.00 C ATOM 628 CG ASN A 44 9.994 2.204 -7.608 1.00 0.00 C ATOM 629 OD1 ASN A 44 9.358 2.313 -8.656 1.00 0.00 O ATOM 630 ND2 ASN A 44 10.835 1.202 -7.381 1.00 0.00 N ATOM 0 H ASN A 44 7.759 1.033 -5.203 1.00 0.00 H new ATOM 0 HA ASN A 44 9.674 2.039 -4.708 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.362 4.119 -6.892 1.00 0.00 H new ATOM 0 HB3 ASN A 44 10.838 3.529 -6.154 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.975 0.483 -8.091 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.342 1.152 -6.497 1.00 0.00 H new ATOM 637 N TRP A 45 7.545 3.650 -3.630 1.00 0.00 N ATOM 638 CA TRP A 45 7.077 4.693 -2.732 1.00 0.00 C ATOM 639 C TRP A 45 6.714 5.973 -3.469 1.00 0.00 C ATOM 640 O TRP A 45 7.245 7.042 -3.176 1.00 0.00 O ATOM 641 CB TRP A 45 8.143 4.959 -1.669 1.00 0.00 C ATOM 642 CG TRP A 45 8.473 3.710 -0.923 1.00 0.00 C ATOM 643 CD1 TRP A 45 9.408 2.773 -1.259 1.00 0.00 C ATOM 644 CD2 TRP A 45 7.830 3.231 0.259 1.00 0.00 C ATOM 645 NE1 TRP A 45 9.366 1.734 -0.370 1.00 0.00 N ATOM 646 CE2 TRP A 45 8.412 1.999 0.570 1.00 0.00 C ATOM 647 CE3 TRP A 45 6.817 3.717 1.089 1.00 0.00 C ATOM 648 CZ2 TRP A 45 8.011 1.255 1.656 1.00 0.00 C ATOM 649 CZ3 TRP A 45 6.422 2.971 2.167 1.00 0.00 C ATOM 650 CH2 TRP A 45 7.018 1.755 2.443 1.00 0.00 C ATOM 0 H TRP A 45 7.012 2.781 -3.591 1.00 0.00 H new ATOM 0 HA TRP A 45 6.162 4.343 -2.255 1.00 0.00 H new ATOM 0 HB2 TRP A 45 9.043 5.354 -2.141 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.788 5.720 -0.974 1.00 0.00 H new ATOM 0 HD1 TRP A 45 10.081 2.842 -2.101 1.00 0.00 H new ATOM 0 HE1 TRP A 45 9.951 0.899 -0.404 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.351 4.669 0.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 8.470 0.303 1.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.635 3.337 2.810 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.689 1.189 3.302 1.00 0.00 H new ATOM 661 N ASP A 46 5.771 5.864 -4.397 1.00 0.00 N ATOM 662 CA ASP A 46 5.295 7.024 -5.132 1.00 0.00 C ATOM 663 C ASP A 46 4.195 7.666 -4.315 1.00 0.00 C ATOM 664 O ASP A 46 4.102 8.888 -4.198 1.00 0.00 O ATOM 665 CB ASP A 46 4.780 6.627 -6.517 1.00 0.00 C ATOM 666 CG ASP A 46 5.356 7.493 -7.619 1.00 0.00 C ATOM 667 OD1 ASP A 46 6.556 7.337 -7.931 1.00 0.00 O ATOM 668 OD2 ASP A 46 4.608 8.327 -8.171 1.00 0.00 O ATOM 0 H ASP A 46 5.323 4.985 -4.656 1.00 0.00 H new ATOM 0 HA ASP A 46 6.113 7.728 -5.288 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.031 5.584 -6.710 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.693 6.701 -6.532 1.00 0.00 H new ATOM 673 N TYR A 47 3.388 6.796 -3.719 1.00 0.00 N ATOM 674 CA TYR A 47 2.288 7.179 -2.847 1.00 0.00 C ATOM 675 C TYR A 47 0.987 7.389 -3.604 1.00 0.00 C ATOM 676 O TYR A 47 -0.098 7.188 -3.059 1.00 0.00 O ATOM 677 CB TYR A 47 2.613 8.424 -2.036 1.00 0.00 C ATOM 678 CG TYR A 47 1.649 8.612 -0.906 1.00 0.00 C ATOM 679 CD1 TYR A 47 0.455 9.283 -1.113 1.00 0.00 C ATOM 680 CD2 TYR A 47 1.917 8.101 0.358 1.00 0.00 C ATOM 681 CE1 TYR A 47 -0.452 9.449 -0.094 1.00 0.00 C ATOM 682 CE2 TYR A 47 1.011 8.261 1.388 1.00 0.00 C ATOM 683 CZ TYR A 47 -0.174 8.938 1.154 1.00 0.00 C ATOM 684 OH TYR A 47 -1.084 9.103 2.169 1.00 0.00 O ATOM 0 H TYR A 47 3.483 5.787 -3.831 1.00 0.00 H new ATOM 0 HA TYR A 47 2.151 6.340 -2.165 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.626 8.348 -1.642 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.588 9.299 -2.686 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.233 9.682 -2.092 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.842 7.574 0.537 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.377 9.977 -0.271 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.225 7.861 2.368 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.796 8.435 2.082 1.00 0.00 H new ATOM 694 N THR A 48 1.096 7.783 -4.856 1.00 0.00 N ATOM 695 CA THR A 48 -0.079 8.008 -5.679 1.00 0.00 C ATOM 696 C THR A 48 -0.225 6.862 -6.664 1.00 0.00 C ATOM 697 O THR A 48 -1.258 6.195 -6.717 1.00 0.00 O ATOM 698 CB THR A 48 0.029 9.339 -6.425 1.00 0.00 C ATOM 699 OG1 THR A 48 0.772 10.279 -5.669 1.00 0.00 O ATOM 700 CG2 THR A 48 -1.315 9.962 -6.736 1.00 0.00 C ATOM 0 H THR A 48 1.984 7.954 -5.327 1.00 0.00 H new ATOM 0 HA THR A 48 -0.960 8.053 -5.039 1.00 0.00 H new ATOM 0 HB THR A 48 0.529 9.103 -7.364 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.831 11.123 -6.164 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.166 10.903 -7.265 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.895 9.282 -7.360 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.853 10.150 -5.807 1.00 0.00 H new ATOM 708 N ARG A 49 0.840 6.617 -7.419 1.00 0.00 N ATOM 709 CA ARG A 49 0.857 5.525 -8.376 1.00 0.00 C ATOM 710 C ARG A 49 0.926 4.196 -7.631 1.00 0.00 C ATOM 711 O ARG A 49 0.532 3.156 -8.157 1.00 0.00 O ATOM 712 CB ARG A 49 2.047 5.661 -9.327 1.00 0.00 C ATOM 713 CG ARG A 49 1.951 4.767 -10.552 1.00 0.00 C ATOM 714 CD ARG A 49 3.098 3.769 -10.605 1.00 0.00 C ATOM 715 NE ARG A 49 3.645 3.636 -11.951 1.00 0.00 N ATOM 716 CZ ARG A 49 4.781 3.000 -12.224 1.00 0.00 C ATOM 717 NH1 ARG A 49 5.482 2.442 -11.247 1.00 0.00 N ATOM 718 NH2 ARG A 49 5.215 2.921 -13.474 1.00 0.00 N ATOM 0 H ARG A 49 1.702 7.162 -7.384 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.057 5.559 -8.968 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.127 6.699 -9.650 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.963 5.425 -8.786 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.002 4.232 -10.539 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.959 5.380 -11.453 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.887 4.087 -9.923 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.749 2.797 -10.258 1.00 0.00 H new ATOM 0 HE ARG A 49 3.128 4.053 -12.725 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.151 2.500 -10.284 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.353 1.955 -11.458 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.678 3.348 -14.228 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.086 2.433 -13.681 1.00 0.00 H new ATOM 732 N SER A 50 1.413 4.244 -6.388 1.00 0.00 N ATOM 733 CA SER A 50 1.511 3.055 -5.562 1.00 0.00 C ATOM 734 C SER A 50 0.118 2.599 -5.176 1.00 0.00 C ATOM 735 O SER A 50 -0.358 1.576 -5.656 1.00 0.00 O ATOM 736 CB SER A 50 2.345 3.337 -4.312 1.00 0.00 C ATOM 737 OG SER A 50 3.703 3.561 -4.642 1.00 0.00 O ATOM 0 H SER A 50 1.744 5.098 -5.938 1.00 0.00 H new ATOM 0 HA SER A 50 2.006 2.265 -6.127 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.945 4.209 -3.794 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.269 2.495 -3.624 1.00 0.00 H new ATOM 0 HG SER A 50 3.757 4.082 -5.470 1.00 0.00 H new ATOM 743 N ALA A 51 -0.538 3.374 -4.319 1.00 0.00 N ATOM 744 CA ALA A 51 -1.894 3.051 -3.891 1.00 0.00 C ATOM 745 C ALA A 51 -2.814 2.844 -5.092 1.00 0.00 C ATOM 746 O ALA A 51 -3.770 2.078 -5.027 1.00 0.00 O ATOM 747 CB ALA A 51 -2.446 4.141 -2.989 1.00 0.00 C ATOM 0 H ALA A 51 -0.155 4.226 -3.909 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.852 2.119 -3.327 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.459 3.880 -2.681 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.813 4.239 -2.107 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.464 5.087 -3.530 1.00 0.00 H new ATOM 753 N GLN A 52 -2.522 3.525 -6.195 1.00 0.00 N ATOM 754 CA GLN A 52 -3.338 3.387 -7.394 1.00 0.00 C ATOM 755 C GLN A 52 -3.221 1.976 -7.949 1.00 0.00 C ATOM 756 O GLN A 52 -4.215 1.368 -8.347 1.00 0.00 O ATOM 757 CB GLN A 52 -2.920 4.410 -8.453 1.00 0.00 C ATOM 758 CG GLN A 52 -3.806 5.644 -8.489 1.00 0.00 C ATOM 759 CD GLN A 52 -3.914 6.325 -7.139 1.00 0.00 C ATOM 760 OE1 GLN A 52 -4.028 5.666 -6.106 1.00 0.00 O ATOM 761 NE2 GLN A 52 -3.879 7.653 -7.141 1.00 0.00 N ATOM 0 H GLN A 52 -1.737 4.170 -6.283 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.378 3.575 -7.127 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.891 4.717 -8.264 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.935 3.933 -9.433 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.408 6.351 -9.217 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.802 5.362 -8.830 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.783 8.159 -8.021 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.948 8.166 -6.262 1.00 0.00 H new ATOM 770 N ALA A 53 -2.003 1.454 -7.952 1.00 0.00 N ATOM 771 CA ALA A 53 -1.752 0.104 -8.434 1.00 0.00 C ATOM 772 C ALA A 53 -2.178 -0.928 -7.396 1.00 0.00 C ATOM 773 O ALA A 53 -2.384 -2.097 -7.716 1.00 0.00 O ATOM 774 CB ALA A 53 -0.280 -0.064 -8.756 1.00 0.00 C ATOM 0 H ALA A 53 -1.172 1.946 -7.625 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.339 -0.054 -9.339 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.100 -1.077 -9.116 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.008 0.652 -9.526 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.311 0.112 -7.858 1.00 0.00 H new ATOM 780 N PHE A 54 -2.302 -0.483 -6.150 1.00 0.00 N ATOM 781 CA PHE A 54 -2.696 -1.353 -5.056 1.00 0.00 C ATOM 782 C PHE A 54 -4.194 -1.635 -5.119 1.00 0.00 C ATOM 783 O PHE A 54 -4.639 -2.729 -4.781 1.00 0.00 O ATOM 784 CB PHE A 54 -2.277 -0.707 -3.710 1.00 0.00 C ATOM 785 CG PHE A 54 -3.348 -0.629 -2.646 1.00 0.00 C ATOM 786 CD1 PHE A 54 -3.665 -1.738 -1.883 1.00 0.00 C ATOM 787 CD2 PHE A 54 -4.031 0.558 -2.410 1.00 0.00 C ATOM 788 CE1 PHE A 54 -4.635 -1.666 -0.905 1.00 0.00 C ATOM 789 CE2 PHE A 54 -4.999 0.632 -1.428 1.00 0.00 C ATOM 790 CZ PHE A 54 -5.295 -0.476 -0.679 1.00 0.00 C ATOM 0 H PHE A 54 -2.133 0.484 -5.875 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.187 -2.313 -5.141 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.434 -1.269 -3.308 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.919 0.303 -3.911 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.148 -2.670 -2.055 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.802 1.432 -3.001 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.877 -2.539 -0.318 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.521 1.561 -1.251 1.00 0.00 H new ATOM 0 HZ PHE A 54 -6.049 -0.418 0.092 1.00 0.00 H new ATOM 800 N THR A 55 -4.963 -0.640 -5.550 1.00 0.00 N ATOM 801 CA THR A 55 -6.406 -0.798 -5.642 1.00 0.00 C ATOM 802 C THR A 55 -6.772 -1.872 -6.657 1.00 0.00 C ATOM 803 O THR A 55 -7.687 -2.664 -6.433 1.00 0.00 O ATOM 804 CB THR A 55 -7.078 0.526 -6.009 1.00 0.00 C ATOM 805 OG1 THR A 55 -7.113 0.700 -7.414 1.00 0.00 O ATOM 806 CG2 THR A 55 -6.394 1.737 -5.411 1.00 0.00 C ATOM 0 H THR A 55 -4.614 0.274 -5.838 1.00 0.00 H new ATOM 0 HA THR A 55 -6.769 -1.110 -4.663 1.00 0.00 H new ATOM 0 HB THR A 55 -8.084 0.460 -5.594 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.214 0.913 -7.740 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.924 2.640 -5.713 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.400 1.659 -4.324 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.364 1.785 -5.765 1.00 0.00 H new ATOM 814 N HIS A 56 -6.047 -1.902 -7.770 1.00 0.00 N ATOM 815 CA HIS A 56 -6.295 -2.892 -8.811 1.00 0.00 C ATOM 816 C HIS A 56 -6.181 -4.304 -8.247 1.00 0.00 C ATOM 817 O HIS A 56 -6.788 -5.242 -8.762 1.00 0.00 O ATOM 818 CB HIS A 56 -5.298 -2.712 -9.956 1.00 0.00 C ATOM 819 CG HIS A 56 -5.653 -3.487 -11.186 1.00 0.00 C ATOM 820 ND1 HIS A 56 -6.877 -3.413 -11.815 1.00 0.00 N ATOM 821 CD2 HIS A 56 -4.913 -4.365 -11.910 1.00 0.00 C ATOM 822 CE1 HIS A 56 -6.844 -4.232 -12.874 1.00 0.00 C ATOM 823 NE2 HIS A 56 -5.674 -4.834 -12.977 1.00 0.00 N ATOM 0 H HIS A 56 -5.286 -1.255 -7.974 1.00 0.00 H new ATOM 0 HA HIS A 56 -7.307 -2.746 -9.189 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -5.235 -1.654 -10.209 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.308 -3.018 -9.617 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -7.667 -2.837 -11.525 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -3.895 -4.654 -11.693 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -7.668 -4.381 -13.556 1.00 0.00 H new ATOM 831 N LEU A 57 -5.390 -4.442 -7.190 1.00 0.00 N ATOM 832 CA LEU A 57 -5.175 -5.734 -6.545 1.00 0.00 C ATOM 833 C LEU A 57 -6.288 -6.052 -5.561 1.00 0.00 C ATOM 834 O LEU A 57 -6.739 -7.192 -5.459 1.00 0.00 O ATOM 835 CB LEU A 57 -3.838 -5.732 -5.806 1.00 0.00 C ATOM 836 CG LEU A 57 -2.619 -5.970 -6.685 1.00 0.00 C ATOM 837 CD1 LEU A 57 -2.589 -4.966 -7.823 1.00 0.00 C ATOM 838 CD2 LEU A 57 -1.345 -5.886 -5.859 1.00 0.00 C ATOM 0 H LEU A 57 -4.883 -3.670 -6.758 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.170 -6.498 -7.323 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.721 -4.774 -5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.866 -6.500 -5.033 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.684 -6.971 -7.111 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.712 -5.147 -8.445 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.490 -5.073 -8.427 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.543 -3.956 -7.416 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.482 -6.059 -6.502 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.269 -4.897 -5.407 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.370 -6.642 -5.074 1.00 0.00 H new ATOM 850 N LYS A 58 -6.715 -5.036 -4.825 1.00 0.00 N ATOM 851 CA LYS A 58 -7.770 -5.202 -3.827 1.00 0.00 C ATOM 852 C LYS A 58 -8.951 -5.987 -4.393 1.00 0.00 C ATOM 853 O LYS A 58 -9.619 -6.730 -3.672 1.00 0.00 O ATOM 854 CB LYS A 58 -8.272 -3.844 -3.327 1.00 0.00 C ATOM 855 CG LYS A 58 -7.183 -2.905 -2.832 1.00 0.00 C ATOM 856 CD LYS A 58 -7.745 -1.544 -2.420 1.00 0.00 C ATOM 857 CE LYS A 58 -8.818 -1.032 -3.377 1.00 0.00 C ATOM 858 NZ LYS A 58 -10.185 -1.427 -2.939 1.00 0.00 N ATOM 0 H LYS A 58 -6.349 -4.087 -4.898 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.336 -5.758 -2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.816 -3.354 -4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.984 -4.011 -2.518 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.672 -3.358 -1.983 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.438 -2.768 -3.616 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.165 -1.618 -1.417 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.932 -0.820 -2.372 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.757 0.054 -3.443 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.630 -1.423 -4.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.831 -1.404 -3.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.159 -2.389 -2.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.521 -0.764 -2.211 1.00 0.00 H new ATOM 872 N ALA A 59 -9.215 -5.802 -5.683 1.00 0.00 N ATOM 873 CA ALA A 59 -10.332 -6.479 -6.337 1.00 0.00 C ATOM 874 C ALA A 59 -9.862 -7.606 -7.253 1.00 0.00 C ATOM 875 O ALA A 59 -10.498 -8.656 -7.331 1.00 0.00 O ATOM 876 CB ALA A 59 -11.163 -5.475 -7.123 1.00 0.00 C ATOM 0 H ALA A 59 -8.673 -5.192 -6.295 1.00 0.00 H new ATOM 0 HA ALA A 59 -10.946 -6.928 -5.557 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -11.993 -5.989 -7.607 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -11.552 -4.715 -6.445 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.539 -5.000 -7.880 1.00 0.00 H new ATOM 882 N LYS A 60 -8.752 -7.382 -7.950 1.00 0.00 N ATOM 883 CA LYS A 60 -8.208 -8.384 -8.864 1.00 0.00 C ATOM 884 C LYS A 60 -8.143 -9.753 -8.199 1.00 0.00 C ATOM 885 O LYS A 60 -8.379 -10.779 -8.837 1.00 0.00 O ATOM 886 CB LYS A 60 -6.813 -7.973 -9.335 1.00 0.00 C ATOM 887 CG LYS A 60 -6.817 -7.166 -10.621 1.00 0.00 C ATOM 888 CD LYS A 60 -6.417 -8.018 -11.815 1.00 0.00 C ATOM 889 CE LYS A 60 -7.240 -7.676 -13.045 1.00 0.00 C ATOM 890 NZ LYS A 60 -8.695 -7.598 -12.736 1.00 0.00 N ATOM 0 H LYS A 60 -8.212 -6.518 -7.900 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.874 -8.448 -9.725 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.332 -7.388 -8.551 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.209 -8.869 -9.480 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.810 -6.749 -10.787 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.130 -6.325 -10.526 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.359 -7.869 -12.031 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.547 -9.072 -11.571 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.904 -6.723 -13.453 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.072 -8.429 -13.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.243 -7.918 -13.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.910 -8.207 -11.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.950 -6.615 -12.511 1.00 0.00 H new ATOM 904 N GLY A 61 -7.822 -9.756 -6.913 1.00 0.00 N ATOM 905 CA GLY A 61 -7.730 -10.999 -6.173 1.00 0.00 C ATOM 906 C GLY A 61 -6.701 -10.940 -5.061 1.00 0.00 C ATOM 907 O GLY A 61 -6.732 -11.748 -4.134 1.00 0.00 O ATOM 0 H GLY A 61 -7.623 -8.918 -6.367 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.705 -11.238 -5.749 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.474 -11.807 -6.858 1.00 0.00 H new ATOM 911 N GLU A 62 -5.784 -9.981 -5.154 1.00 0.00 N ATOM 912 CA GLU A 62 -4.742 -9.824 -4.148 1.00 0.00 C ATOM 913 C GLU A 62 -5.321 -9.297 -2.838 1.00 0.00 C ATOM 914 O GLU A 62 -6.535 -9.304 -2.640 1.00 0.00 O ATOM 915 CB GLU A 62 -3.649 -8.883 -4.655 1.00 0.00 C ATOM 916 CG GLU A 62 -2.300 -9.558 -4.833 1.00 0.00 C ATOM 917 CD GLU A 62 -2.164 -10.243 -6.178 1.00 0.00 C ATOM 918 OE1 GLU A 62 -3.110 -10.952 -6.582 1.00 0.00 O ATOM 919 OE2 GLU A 62 -1.110 -10.073 -6.828 1.00 0.00 O ATOM 0 H GLU A 62 -5.743 -9.303 -5.915 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.305 -10.805 -3.960 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.961 -8.457 -5.608 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.542 -8.054 -3.955 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.509 -8.815 -4.726 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.158 -10.292 -4.040 1.00 0.00 H new ATOM 926 N ILE A 63 -4.439 -8.848 -1.951 1.00 0.00 N ATOM 927 CA ILE A 63 -4.840 -8.321 -0.649 1.00 0.00 C ATOM 928 C ILE A 63 -5.802 -9.261 0.065 1.00 0.00 C ATOM 929 O ILE A 63 -6.982 -9.329 -0.279 1.00 0.00 O ATOM 930 CB ILE A 63 -5.517 -6.930 -0.759 1.00 0.00 C ATOM 931 CG1 ILE A 63 -4.524 -5.900 -1.301 1.00 0.00 C ATOM 932 CG2 ILE A 63 -6.068 -6.485 0.601 1.00 0.00 C ATOM 933 CD1 ILE A 63 -3.483 -5.473 -0.290 1.00 0.00 C ATOM 0 H ILE A 63 -3.432 -8.838 -2.112 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.918 -8.227 -0.076 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.353 -7.007 -1.454 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.021 -6.316 -2.174 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.073 -5.021 -1.638 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.538 -5.507 0.501 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.805 -7.208 0.949 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.252 -6.423 1.321 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.814 -4.742 -0.744 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.976 -5.027 0.574 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.908 -6.342 0.030 1.00 0.00 H new ATOM 945 N PRO A 64 -5.343 -9.951 1.115 1.00 0.00 N ATOM 946 CA PRO A 64 -6.219 -10.809 1.884 1.00 0.00 C ATOM 947 C PRO A 64 -7.125 -9.937 2.741 1.00 0.00 C ATOM 948 O PRO A 64 -6.799 -8.781 3.006 1.00 0.00 O ATOM 949 CB PRO A 64 -5.255 -11.641 2.726 1.00 0.00 C ATOM 950 CG PRO A 64 -4.053 -10.774 2.896 1.00 0.00 C ATOM 951 CD PRO A 64 -3.977 -9.896 1.674 1.00 0.00 C ATOM 0 HA PRO A 64 -6.875 -11.444 1.288 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.694 -11.902 3.689 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.001 -12.577 2.228 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.135 -10.172 3.801 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.151 -11.378 2.996 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.691 -8.876 1.931 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.238 -10.264 0.962 1.00 0.00 H new ATOM 959 N GLU A 65 -8.269 -10.455 3.141 1.00 0.00 N ATOM 960 CA GLU A 65 -9.203 -9.664 3.932 1.00 0.00 C ATOM 961 C GLU A 65 -8.528 -9.059 5.160 1.00 0.00 C ATOM 962 O GLU A 65 -8.836 -7.935 5.553 1.00 0.00 O ATOM 963 CB GLU A 65 -10.402 -10.500 4.356 1.00 0.00 C ATOM 964 CG GLU A 65 -10.875 -11.486 3.299 1.00 0.00 C ATOM 965 CD GLU A 65 -12.370 -11.730 3.356 1.00 0.00 C ATOM 966 OE1 GLU A 65 -13.117 -10.772 3.648 1.00 0.00 O ATOM 967 OE2 GLU A 65 -12.795 -12.878 3.109 1.00 0.00 O ATOM 0 H GLU A 65 -8.576 -11.406 2.937 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.549 -8.848 3.298 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.146 -11.050 5.262 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.226 -9.833 4.610 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.610 -11.109 2.311 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.351 -12.433 3.430 1.00 0.00 H new ATOM 974 N VAL A 66 -7.605 -9.804 5.762 1.00 0.00 N ATOM 975 CA VAL A 66 -6.888 -9.327 6.945 1.00 0.00 C ATOM 976 C VAL A 66 -6.381 -7.899 6.734 1.00 0.00 C ATOM 977 O VAL A 66 -6.477 -7.061 7.627 1.00 0.00 O ATOM 978 CB VAL A 66 -5.700 -10.252 7.287 1.00 0.00 C ATOM 979 CG1 VAL A 66 -4.852 -10.481 6.061 1.00 0.00 C ATOM 980 CG2 VAL A 66 -4.843 -9.692 8.414 1.00 0.00 C ATOM 0 H VAL A 66 -7.335 -10.738 5.453 1.00 0.00 H new ATOM 0 HA VAL A 66 -7.590 -9.337 7.779 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.114 -11.200 7.629 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.017 -11.135 6.313 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.456 -10.948 5.283 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.469 -9.526 5.700 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.020 -10.376 8.620 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.443 -8.722 8.119 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.452 -9.576 9.311 1.00 0.00 H new ATOM 990 N ALA A 67 -5.845 -7.632 5.544 1.00 0.00 N ATOM 991 CA ALA A 67 -5.327 -6.308 5.214 1.00 0.00 C ATOM 992 C ALA A 67 -6.318 -5.219 5.608 1.00 0.00 C ATOM 993 O ALA A 67 -5.955 -4.239 6.258 1.00 0.00 O ATOM 994 CB ALA A 67 -5.009 -6.222 3.729 1.00 0.00 C ATOM 0 H ALA A 67 -5.759 -8.317 4.793 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.409 -6.151 5.781 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.624 -5.229 3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.260 -6.971 3.473 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.916 -6.404 3.152 1.00 0.00 H new ATOM 1000 N PHE A 68 -7.575 -5.403 5.212 1.00 0.00 N ATOM 1001 CA PHE A 68 -8.627 -4.441 5.522 1.00 0.00 C ATOM 1002 C PHE A 68 -9.251 -4.729 6.886 1.00 0.00 C ATOM 1003 O PHE A 68 -10.473 -4.780 7.019 1.00 0.00 O ATOM 1004 CB PHE A 68 -9.710 -4.470 4.442 1.00 0.00 C ATOM 1005 CG PHE A 68 -9.187 -4.320 3.057 1.00 0.00 C ATOM 1006 CD1 PHE A 68 -8.729 -3.099 2.606 1.00 0.00 C ATOM 1007 CD2 PHE A 68 -9.168 -5.401 2.199 1.00 0.00 C ATOM 1008 CE1 PHE A 68 -8.258 -2.958 1.322 1.00 0.00 C ATOM 1009 CE2 PHE A 68 -8.700 -5.269 0.915 1.00 0.00 C ATOM 1010 CZ PHE A 68 -8.242 -4.047 0.470 1.00 0.00 C ATOM 0 H PHE A 68 -7.889 -6.211 4.675 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.175 -3.450 5.551 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -10.255 -5.411 4.514 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -10.426 -3.671 4.638 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.741 -2.246 3.268 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.525 -6.361 2.541 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -7.901 -1.998 0.979 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.691 -6.123 0.253 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.872 -3.941 -0.539 1.00 0.00 H new ATOM 1020 N MET A 69 -8.407 -4.914 7.897 1.00 0.00 N ATOM 1021 CA MET A 69 -8.880 -5.194 9.249 1.00 0.00 C ATOM 1022 C MET A 69 -9.926 -6.304 9.246 1.00 0.00 C ATOM 1023 O MET A 69 -11.124 -6.041 9.147 1.00 0.00 O ATOM 1024 CB MET A 69 -9.465 -3.928 9.878 1.00 0.00 C ATOM 1025 CG MET A 69 -9.596 -4.005 11.390 1.00 0.00 C ATOM 1026 SD MET A 69 -10.413 -2.559 12.091 1.00 0.00 S ATOM 1027 CE MET A 69 -10.237 -2.886 13.843 1.00 0.00 C ATOM 0 H MET A 69 -7.392 -4.875 7.806 1.00 0.00 H new ATOM 0 HA MET A 69 -8.028 -5.528 9.841 1.00 0.00 H new ATOM 0 HB2 MET A 69 -8.833 -3.078 9.619 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.447 -3.738 9.446 1.00 0.00 H new ATOM 0 HG2 MET A 69 -10.158 -4.900 11.657 1.00 0.00 H new ATOM 0 HG3 MET A 69 -8.605 -4.107 11.832 1.00 0.00 H new ATOM 0 HE1 MET A 69 -10.695 -2.077 14.412 1.00 0.00 H new ATOM 0 HE2 MET A 69 -10.730 -3.827 14.089 1.00 0.00 H new ATOM 0 HE3 MET A 69 -9.179 -2.954 14.096 1.00 0.00 H new ATOM 1037 N LYS A 70 -9.465 -7.545 9.355 1.00 0.00 N ATOM 1038 CA LYS A 70 -10.362 -8.696 9.365 1.00 0.00 C ATOM 1039 C LYS A 70 -9.810 -9.809 10.250 1.00 0.00 C ATOM 1040 O LYS A 70 -8.577 -9.855 10.441 1.00 0.00 O ATOM 1041 CB LYS A 70 -10.573 -9.217 7.942 1.00 0.00 C ATOM 1042 CG LYS A 70 -12.035 -9.292 7.531 1.00 0.00 C ATOM 1043 CD LYS A 70 -12.548 -7.946 7.046 1.00 0.00 C ATOM 1044 CE LYS A 70 -11.798 -7.476 5.811 1.00 0.00 C ATOM 1045 NZ LYS A 70 -12.692 -7.369 4.624 1.00 0.00 N ATOM 1046 OXT LYS A 70 -10.617 -10.624 10.745 1.00 0.00 O ATOM 0 H LYS A 70 -8.476 -7.780 9.438 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.320 -8.374 9.773 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.041 -8.570 7.245 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.129 -10.209 7.858 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.154 -10.034 6.741 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.635 -9.628 8.377 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.612 -8.021 6.820 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.442 -7.207 7.840 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.342 -6.506 6.011 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.987 -8.171 5.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.142 -7.046 3.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.108 -8.300 4.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.452 -6.687 4.822 1.00 0.00 H new