USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 925 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 52 MET CE :methyl -148:sc= -2.81 (180deg=-0.725) USER MOD Set 1.2: A 54 MET CE :methyl 143:sc= -9.84! (180deg=-7.85!) USER MOD Set 1.3: A 93 THR OG1 : rot 79:sc= 0.656 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 ASN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : A 42 ASN : amide:sc= -1.51 K(o=-1.5,f=-4.2!) USER MOD Single : A 43 SER OG : rot 64:sc= 0.248 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN :FLIP amide:sc= 0.472 F(o=-0.59,f=0.47) USER MOD Single : A 53 MET CE :methyl 149:sc= -1.07 (180deg=-1.9!) USER MOD Single : A 56 SER OG : rot 28:sc= 0.225 USER MOD Single : A 66 HIS : no HD1:sc= -7.84! C(o=-7.8!,f=-8.5!) USER MOD Single : A 71 ASN : amide:sc= -0.266 X(o=-0.27,f=-0.14) USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0644 USER MOD Single : A 83 HIS : no HD1:sc= -3.76 K(o=-3.8,f=-5.8!) USER MOD Single : A 98 HIS : no HD1:sc= -0.337 K(o=-0.34,f=-0.93) USER MOD Single : A 123 HIS : no HD1:sc= -8.88! C(o=-8.9!,f=-11!) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 165 N ASP A 14 115.634 12.157 -12.926 1.00 0.00 N ATOM 166 CA ASP A 14 115.311 11.879 -11.492 1.00 0.00 C ATOM 167 C ASP A 14 113.795 11.768 -11.293 1.00 0.00 C ATOM 168 O ASP A 14 113.326 11.435 -10.221 1.00 0.00 O ATOM 169 CB ASP A 14 115.862 13.077 -10.714 1.00 0.00 C ATOM 170 CG ASP A 14 117.137 12.669 -9.975 1.00 0.00 C ATOM 171 OD1 ASP A 14 117.149 11.588 -9.410 1.00 0.00 O ATOM 172 OD2 ASP A 14 118.079 13.444 -9.987 1.00 0.00 O ATOM 0 HA ASP A 14 115.745 10.938 -11.155 1.00 0.00 H new ATOM 0 HB2 ASP A 14 116.073 13.900 -11.397 1.00 0.00 H new ATOM 0 HB3 ASP A 14 115.117 13.435 -10.003 1.00 0.00 H new ATOM 177 N TRP A 15 113.022 12.042 -12.311 1.00 0.00 N ATOM 178 CA TRP A 15 111.539 11.949 -12.172 1.00 0.00 C ATOM 179 C TRP A 15 111.130 10.541 -11.717 1.00 0.00 C ATOM 180 O TRP A 15 110.026 10.327 -11.255 1.00 0.00 O ATOM 181 CB TRP A 15 110.992 12.221 -13.575 1.00 0.00 C ATOM 182 CG TRP A 15 110.857 13.697 -13.813 1.00 0.00 C ATOM 183 CD1 TRP A 15 111.448 14.667 -13.078 1.00 0.00 C ATOM 184 CD2 TRP A 15 110.089 14.381 -14.849 1.00 0.00 C ATOM 185 NE1 TRP A 15 111.093 15.900 -13.596 1.00 0.00 N ATOM 186 CE2 TRP A 15 110.255 15.777 -14.685 1.00 0.00 C ATOM 187 CE3 TRP A 15 109.272 13.930 -15.902 1.00 0.00 C ATOM 188 CZ2 TRP A 15 109.634 16.692 -15.537 1.00 0.00 C ATOM 189 CZ3 TRP A 15 108.644 14.851 -16.760 1.00 0.00 C ATOM 190 CH2 TRP A 15 108.826 16.229 -16.577 1.00 0.00 C ATOM 0 H TRP A 15 113.354 12.326 -13.233 1.00 0.00 H new ATOM 0 HA TRP A 15 111.155 12.651 -11.432 1.00 0.00 H new ATOM 0 HB2 TRP A 15 111.657 11.786 -14.321 1.00 0.00 H new ATOM 0 HB3 TRP A 15 110.022 11.738 -13.693 1.00 0.00 H new ATOM 0 HD1 TRP A 15 112.092 14.505 -12.226 1.00 0.00 H new ATOM 0 HE1 TRP A 15 111.412 16.792 -13.218 1.00 0.00 H new ATOM 0 HE3 TRP A 15 109.126 12.871 -16.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 109.778 17.753 -15.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 108.018 14.494 -17.565 1.00 0.00 H new ATOM 0 HH2 TRP A 15 108.342 16.931 -17.240 1.00 0.00 H new ATOM 201 N LEU A 16 112.007 9.580 -11.852 1.00 0.00 N ATOM 202 CA LEU A 16 111.671 8.190 -11.437 1.00 0.00 C ATOM 203 C LEU A 16 111.573 8.107 -9.908 1.00 0.00 C ATOM 204 O LEU A 16 110.564 7.698 -9.368 1.00 0.00 O ATOM 205 CB LEU A 16 112.828 7.343 -12.002 1.00 0.00 C ATOM 206 CG LEU A 16 113.248 6.247 -11.025 1.00 0.00 C ATOM 207 CD1 LEU A 16 112.055 5.340 -10.734 1.00 0.00 C ATOM 208 CD2 LEU A 16 114.377 5.419 -11.645 1.00 0.00 C ATOM 0 H LEU A 16 112.945 9.701 -12.234 1.00 0.00 H new ATOM 0 HA LEU A 16 110.707 7.842 -11.808 1.00 0.00 H new ATOM 0 HB2 LEU A 16 112.523 6.893 -12.947 1.00 0.00 H new ATOM 0 HB3 LEU A 16 113.681 7.987 -12.217 1.00 0.00 H new ATOM 0 HG LEU A 16 113.595 6.701 -10.097 1.00 0.00 H new ATOM 0 HD11 LEU A 16 112.354 4.558 -10.037 1.00 0.00 H new ATOM 0 HD12 LEU A 16 111.249 5.928 -10.295 1.00 0.00 H new ATOM 0 HD13 LEU A 16 111.708 4.886 -11.662 1.00 0.00 H new ATOM 0 HD21 LEU A 16 114.678 4.636 -10.949 1.00 0.00 H new ATOM 0 HD22 LEU A 16 114.028 4.965 -12.573 1.00 0.00 H new ATOM 0 HD23 LEU A 16 115.229 6.065 -11.855 1.00 0.00 H new ATOM 220 N ALA A 17 112.606 8.491 -9.208 1.00 0.00 N ATOM 221 CA ALA A 17 112.554 8.430 -7.717 1.00 0.00 C ATOM 222 C ALA A 17 111.622 9.518 -7.186 1.00 0.00 C ATOM 223 O ALA A 17 110.830 9.287 -6.293 1.00 0.00 O ATOM 224 CB ALA A 17 113.986 8.681 -7.246 1.00 0.00 C ATOM 0 H ALA A 17 113.479 8.843 -9.600 1.00 0.00 H new ATOM 0 HA ALA A 17 112.176 7.472 -7.359 1.00 0.00 H new ATOM 0 HB1 ALA A 17 114.022 8.650 -6.157 1.00 0.00 H new ATOM 0 HB2 ALA A 17 114.643 7.912 -7.652 1.00 0.00 H new ATOM 0 HB3 ALA A 17 114.317 9.660 -7.592 1.00 0.00 H new ATOM 230 N THR A 18 111.712 10.704 -7.733 1.00 0.00 N ATOM 231 CA THR A 18 110.832 11.819 -7.268 1.00 0.00 C ATOM 232 C THR A 18 109.376 11.343 -7.182 1.00 0.00 C ATOM 233 O THR A 18 108.780 11.318 -6.120 1.00 0.00 O ATOM 234 CB THR A 18 111.000 12.905 -8.327 1.00 0.00 C ATOM 235 OG1 THR A 18 112.166 13.659 -8.040 1.00 0.00 O ATOM 236 CG2 THR A 18 109.787 13.840 -8.344 1.00 0.00 C ATOM 0 H THR A 18 112.358 10.949 -8.483 1.00 0.00 H new ATOM 0 HA THR A 18 111.094 12.180 -6.274 1.00 0.00 H new ATOM 0 HB THR A 18 111.088 12.430 -9.304 1.00 0.00 H new ATOM 0 HG1 THR A 18 112.279 14.357 -8.718 1.00 0.00 H new ATOM 0 HG21 THR A 18 109.929 14.606 -9.106 1.00 0.00 H new ATOM 0 HG22 THR A 18 108.888 13.266 -8.569 1.00 0.00 H new ATOM 0 HG23 THR A 18 109.680 14.314 -7.369 1.00 0.00 H new ATOM 244 N ALA A 19 108.805 10.958 -8.292 1.00 0.00 N ATOM 245 CA ALA A 19 107.394 10.471 -8.282 1.00 0.00 C ATOM 246 C ALA A 19 107.227 9.375 -7.224 1.00 0.00 C ATOM 247 O ALA A 19 106.264 9.351 -6.485 1.00 0.00 O ATOM 248 CB ALA A 19 107.167 9.904 -9.682 1.00 0.00 C ATOM 0 H ALA A 19 109.255 10.960 -9.207 1.00 0.00 H new ATOM 0 HA ALA A 19 106.681 11.259 -8.041 1.00 0.00 H new ATOM 0 HB1 ALA A 19 106.149 9.523 -9.760 1.00 0.00 H new ATOM 0 HB2 ALA A 19 107.318 10.690 -10.422 1.00 0.00 H new ATOM 0 HB3 ALA A 19 107.873 9.094 -9.865 1.00 0.00 H new ATOM 254 N ALA A 20 108.171 8.477 -7.149 1.00 0.00 N ATOM 255 CA ALA A 20 108.094 7.378 -6.143 1.00 0.00 C ATOM 256 C ALA A 20 107.991 7.954 -4.726 1.00 0.00 C ATOM 257 O ALA A 20 107.113 7.599 -3.964 1.00 0.00 O ATOM 258 CB ALA A 20 109.404 6.609 -6.316 1.00 0.00 C ATOM 0 H ALA A 20 108.998 8.457 -7.745 1.00 0.00 H new ATOM 0 HA ALA A 20 107.219 6.744 -6.285 1.00 0.00 H new ATOM 0 HB1 ALA A 20 109.434 5.778 -5.612 1.00 0.00 H new ATOM 0 HB2 ALA A 20 109.469 6.225 -7.334 1.00 0.00 H new ATOM 0 HB3 ALA A 20 110.245 7.276 -6.126 1.00 0.00 H new ATOM 264 N ALA A 21 108.888 8.839 -4.370 1.00 0.00 N ATOM 265 CA ALA A 21 108.855 9.444 -3.001 1.00 0.00 C ATOM 266 C ALA A 21 107.455 9.972 -2.679 1.00 0.00 C ATOM 267 O ALA A 21 107.067 10.069 -1.530 1.00 0.00 O ATOM 268 CB ALA A 21 109.860 10.593 -3.057 1.00 0.00 C ATOM 0 H ALA A 21 109.644 9.170 -4.969 1.00 0.00 H new ATOM 0 HA ALA A 21 109.101 8.718 -2.226 1.00 0.00 H new ATOM 0 HB1 ALA A 21 109.897 11.092 -2.088 1.00 0.00 H new ATOM 0 HB2 ALA A 21 110.847 10.201 -3.301 1.00 0.00 H new ATOM 0 HB3 ALA A 21 109.554 11.307 -3.821 1.00 0.00 H new ATOM 274 N ARG A 22 106.700 10.307 -3.686 1.00 0.00 N ATOM 275 CA ARG A 22 105.323 10.824 -3.451 1.00 0.00 C ATOM 276 C ARG A 22 104.296 9.731 -3.766 1.00 0.00 C ATOM 277 O ARG A 22 103.174 10.005 -4.147 1.00 0.00 O ATOM 278 CB ARG A 22 105.188 12.003 -4.411 1.00 0.00 C ATOM 279 CG ARG A 22 106.140 13.115 -3.967 1.00 0.00 C ATOM 280 CD ARG A 22 105.553 14.476 -4.344 1.00 0.00 C ATOM 281 NE ARG A 22 106.334 15.459 -3.544 1.00 0.00 N ATOM 282 CZ ARG A 22 105.987 16.716 -3.536 1.00 0.00 C ATOM 283 NH1 ARG A 22 104.725 17.047 -3.469 1.00 0.00 N ATOM 284 NH2 ARG A 22 106.903 17.642 -3.595 1.00 0.00 N ATOM 0 H ARG A 22 106.978 10.245 -4.666 1.00 0.00 H new ATOM 0 HA ARG A 22 105.150 11.124 -2.417 1.00 0.00 H new ATOM 0 HB2 ARG A 22 105.423 11.690 -5.428 1.00 0.00 H new ATOM 0 HB3 ARG A 22 104.161 12.367 -4.419 1.00 0.00 H new ATOM 0 HG2 ARG A 22 106.299 13.062 -2.890 1.00 0.00 H new ATOM 0 HG3 ARG A 22 107.113 12.984 -4.440 1.00 0.00 H new ATOM 0 HD2 ARG A 22 105.652 14.668 -5.413 1.00 0.00 H new ATOM 0 HD3 ARG A 22 104.490 14.528 -4.108 1.00 0.00 H new ATOM 0 HE ARG A 22 107.141 15.149 -3.002 1.00 0.00 H new ATOM 0 HH11 ARG A 22 104.009 16.322 -3.423 1.00 0.00 H new ATOM 0 HH12 ARG A 22 104.455 18.031 -3.463 1.00 0.00 H new ATOM 0 HH21 ARG A 22 107.888 17.382 -3.647 1.00 0.00 H new ATOM 0 HH22 ARG A 22 106.635 18.626 -3.589 1.00 0.00 H new ATOM 298 N GLY A 23 104.682 8.490 -3.599 1.00 0.00 N ATOM 299 CA GLY A 23 103.759 7.349 -3.872 1.00 0.00 C ATOM 300 C GLY A 23 103.030 7.549 -5.204 1.00 0.00 C ATOM 301 O GLY A 23 101.845 7.297 -5.317 1.00 0.00 O ATOM 0 H GLY A 23 105.612 8.217 -3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 23 104.323 6.417 -3.897 1.00 0.00 H new ATOM 0 HA3 GLY A 23 103.033 7.261 -3.064 1.00 0.00 H new ATOM 305 N ARG A 24 103.727 8.002 -6.210 1.00 0.00 N ATOM 306 CA ARG A 24 103.072 8.221 -7.534 1.00 0.00 C ATOM 307 C ARG A 24 103.368 7.053 -8.478 1.00 0.00 C ATOM 308 O ARG A 24 103.864 7.244 -9.570 1.00 0.00 O ATOM 309 CB ARG A 24 103.695 9.508 -8.067 1.00 0.00 C ATOM 310 CG ARG A 24 103.341 10.663 -7.132 1.00 0.00 C ATOM 311 CD ARG A 24 103.378 11.978 -7.910 1.00 0.00 C ATOM 312 NE ARG A 24 102.316 12.820 -7.295 1.00 0.00 N ATOM 313 CZ ARG A 24 101.661 13.681 -8.025 1.00 0.00 C ATOM 314 NH1 ARG A 24 102.265 14.300 -9.004 1.00 0.00 N ATOM 315 NH2 ARG A 24 100.404 13.921 -7.777 1.00 0.00 N ATOM 0 H ARG A 24 104.721 8.230 -6.174 1.00 0.00 H new ATOM 0 HA ARG A 24 101.987 8.290 -7.451 1.00 0.00 H new ATOM 0 HB2 ARG A 24 104.777 9.400 -8.137 1.00 0.00 H new ATOM 0 HB3 ARG A 24 103.329 9.714 -9.073 1.00 0.00 H new ATOM 0 HG2 ARG A 24 102.350 10.509 -6.705 1.00 0.00 H new ATOM 0 HG3 ARG A 24 104.044 10.700 -6.300 1.00 0.00 H new ATOM 0 HD2 ARG A 24 104.355 12.455 -7.832 1.00 0.00 H new ATOM 0 HD3 ARG A 24 103.187 11.814 -8.971 1.00 0.00 H new ATOM 0 HE ARG A 24 102.100 12.724 -6.303 1.00 0.00 H new ATOM 0 HH11 ARG A 24 103.248 14.110 -9.198 1.00 0.00 H new ATOM 0 HH12 ARG A 24 101.753 14.973 -9.575 1.00 0.00 H new ATOM 0 HH21 ARG A 24 99.933 13.436 -7.013 1.00 0.00 H new ATOM 0 HH22 ARG A 24 99.891 14.594 -8.347 1.00 0.00 H new ATOM 329 N VAL A 25 103.066 5.850 -8.059 1.00 0.00 N ATOM 330 CA VAL A 25 103.326 4.648 -8.918 1.00 0.00 C ATOM 331 C VAL A 25 103.016 4.946 -10.394 1.00 0.00 C ATOM 332 O VAL A 25 103.842 4.744 -11.263 1.00 0.00 O ATOM 333 CB VAL A 25 102.379 3.571 -8.383 1.00 0.00 C ATOM 334 CG1 VAL A 25 102.531 2.300 -9.216 1.00 0.00 C ATOM 335 CG2 VAL A 25 102.715 3.266 -6.917 1.00 0.00 C ATOM 0 H VAL A 25 102.647 5.645 -7.152 1.00 0.00 H new ATOM 0 HA VAL A 25 104.371 4.341 -8.878 1.00 0.00 H new ATOM 0 HB VAL A 25 101.352 3.930 -8.449 1.00 0.00 H new ATOM 0 HG11 VAL A 25 101.857 1.533 -8.835 1.00 0.00 H new ATOM 0 HG12 VAL A 25 102.286 2.515 -10.256 1.00 0.00 H new ATOM 0 HG13 VAL A 25 103.559 1.944 -9.152 1.00 0.00 H new ATOM 0 HG21 VAL A 25 102.038 2.499 -6.541 1.00 0.00 H new ATOM 0 HG22 VAL A 25 103.743 2.910 -6.846 1.00 0.00 H new ATOM 0 HG23 VAL A 25 102.603 4.172 -6.322 1.00 0.00 H new ATOM 345 N GLU A 26 101.832 5.423 -10.675 1.00 0.00 N ATOM 346 CA GLU A 26 101.458 5.739 -12.089 1.00 0.00 C ATOM 347 C GLU A 26 102.540 6.594 -12.751 1.00 0.00 C ATOM 348 O GLU A 26 103.087 6.236 -13.776 1.00 0.00 O ATOM 349 CB GLU A 26 100.154 6.526 -11.978 1.00 0.00 C ATOM 350 CG GLU A 26 99.088 5.644 -11.331 1.00 0.00 C ATOM 351 CD GLU A 26 97.710 6.042 -11.858 1.00 0.00 C ATOM 352 OE1 GLU A 26 97.139 6.976 -11.319 1.00 0.00 O ATOM 353 OE2 GLU A 26 97.249 5.407 -12.791 1.00 0.00 O ATOM 0 H GLU A 26 101.104 5.609 -9.985 1.00 0.00 H new ATOM 0 HA GLU A 26 101.350 4.841 -12.697 1.00 0.00 H new ATOM 0 HB2 GLU A 26 100.308 7.426 -11.383 1.00 0.00 H new ATOM 0 HB3 GLU A 26 99.825 6.849 -12.966 1.00 0.00 H new ATOM 0 HG2 GLU A 26 99.285 4.595 -11.553 1.00 0.00 H new ATOM 0 HG3 GLU A 26 99.120 5.752 -10.247 1.00 0.00 H new ATOM 360 N GLU A 27 102.857 7.719 -12.168 1.00 0.00 N ATOM 361 CA GLU A 27 103.908 8.594 -12.758 1.00 0.00 C ATOM 362 C GLU A 27 105.196 7.791 -12.956 1.00 0.00 C ATOM 363 O GLU A 27 105.889 7.942 -13.943 1.00 0.00 O ATOM 364 CB GLU A 27 104.121 9.701 -11.723 1.00 0.00 C ATOM 365 CG GLU A 27 104.535 10.991 -12.430 1.00 0.00 C ATOM 366 CD GLU A 27 103.286 11.741 -12.899 1.00 0.00 C ATOM 367 OE1 GLU A 27 102.594 12.286 -12.055 1.00 0.00 O ATOM 368 OE2 GLU A 27 103.046 11.758 -14.096 1.00 0.00 O ATOM 0 H GLU A 27 102.433 8.069 -11.309 1.00 0.00 H new ATOM 0 HA GLU A 27 103.624 8.995 -13.731 1.00 0.00 H new ATOM 0 HB2 GLU A 27 103.205 9.863 -11.156 1.00 0.00 H new ATOM 0 HB3 GLU A 27 104.889 9.403 -11.010 1.00 0.00 H new ATOM 0 HG2 GLU A 27 105.116 11.618 -11.754 1.00 0.00 H new ATOM 0 HG3 GLU A 27 105.176 10.762 -13.282 1.00 0.00 H new ATOM 375 N VAL A 28 105.510 6.934 -12.021 1.00 0.00 N ATOM 376 CA VAL A 28 106.748 6.111 -12.140 1.00 0.00 C ATOM 377 C VAL A 28 106.575 5.046 -13.227 1.00 0.00 C ATOM 378 O VAL A 28 107.357 4.973 -14.152 1.00 0.00 O ATOM 379 CB VAL A 28 106.942 5.454 -10.767 1.00 0.00 C ATOM 380 CG1 VAL A 28 108.327 4.807 -10.702 1.00 0.00 C ATOM 381 CG2 VAL A 28 106.830 6.511 -9.663 1.00 0.00 C ATOM 0 H VAL A 28 104.961 6.768 -11.178 1.00 0.00 H new ATOM 0 HA VAL A 28 107.611 6.715 -12.420 1.00 0.00 H new ATOM 0 HB VAL A 28 106.172 4.696 -10.623 1.00 0.00 H new ATOM 0 HG11 VAL A 28 108.465 4.340 -9.727 1.00 0.00 H new ATOM 0 HG12 VAL A 28 108.412 4.050 -11.482 1.00 0.00 H new ATOM 0 HG13 VAL A 28 109.092 5.569 -10.851 1.00 0.00 H new ATOM 0 HG21 VAL A 28 106.969 6.038 -8.691 1.00 0.00 H new ATOM 0 HG22 VAL A 28 107.597 7.272 -9.809 1.00 0.00 H new ATOM 0 HG23 VAL A 28 105.845 6.976 -9.703 1.00 0.00 H new ATOM 391 N ARG A 29 105.558 4.219 -13.122 1.00 0.00 N ATOM 392 CA ARG A 29 105.331 3.150 -14.153 1.00 0.00 C ATOM 393 C ARG A 29 105.629 3.682 -15.558 1.00 0.00 C ATOM 394 O ARG A 29 106.391 3.101 -16.306 1.00 0.00 O ATOM 395 CB ARG A 29 103.847 2.786 -14.034 1.00 0.00 C ATOM 396 CG ARG A 29 103.708 1.398 -13.402 1.00 0.00 C ATOM 397 CD ARG A 29 103.662 1.548 -11.883 1.00 0.00 C ATOM 398 NE ARG A 29 102.912 0.354 -11.384 1.00 0.00 N ATOM 399 CZ ARG A 29 101.629 0.214 -11.616 1.00 0.00 C ATOM 400 NH1 ARG A 29 100.934 1.182 -12.156 1.00 0.00 N ATOM 401 NH2 ARG A 29 101.035 -0.904 -11.298 1.00 0.00 N ATOM 0 H ARG A 29 104.874 4.238 -12.366 1.00 0.00 H new ATOM 0 HA ARG A 29 105.982 2.291 -13.992 1.00 0.00 H new ATOM 0 HB2 ARG A 29 103.328 3.527 -13.426 1.00 0.00 H new ATOM 0 HB3 ARG A 29 103.379 2.797 -15.019 1.00 0.00 H new ATOM 0 HG2 ARG A 29 102.802 0.910 -13.760 1.00 0.00 H new ATOM 0 HG3 ARG A 29 104.547 0.766 -13.693 1.00 0.00 H new ATOM 0 HD2 ARG A 29 104.667 1.584 -11.462 1.00 0.00 H new ATOM 0 HD3 ARG A 29 103.163 2.473 -11.595 1.00 0.00 H new ATOM 0 HE ARG A 29 103.407 -0.364 -10.854 1.00 0.00 H new ATOM 0 HH11 ARG A 29 101.389 2.061 -12.403 1.00 0.00 H new ATOM 0 HH12 ARG A 29 99.937 1.058 -12.330 1.00 0.00 H new ATOM 0 HH21 ARG A 29 101.569 -1.662 -10.872 1.00 0.00 H new ATOM 0 HH22 ARG A 29 100.037 -1.020 -11.476 1.00 0.00 H new ATOM 415 N ALA A 30 105.034 4.787 -15.915 1.00 0.00 N ATOM 416 CA ALA A 30 105.280 5.364 -17.266 1.00 0.00 C ATOM 417 C ALA A 30 106.673 5.996 -17.317 1.00 0.00 C ATOM 418 O ALA A 30 107.449 5.719 -18.206 1.00 0.00 O ATOM 419 CB ALA A 30 104.195 6.422 -17.455 1.00 0.00 C ATOM 0 H ALA A 30 104.388 5.315 -15.329 1.00 0.00 H new ATOM 0 HA ALA A 30 105.244 4.610 -18.053 1.00 0.00 H new ATOM 0 HB1 ALA A 30 104.312 6.892 -18.431 1.00 0.00 H new ATOM 0 HB2 ALA A 30 103.214 5.952 -17.394 1.00 0.00 H new ATOM 0 HB3 ALA A 30 104.284 7.178 -16.675 1.00 0.00 H new ATOM 425 N LEU A 31 106.992 6.838 -16.365 1.00 0.00 N ATOM 426 CA LEU A 31 108.341 7.491 -16.349 1.00 0.00 C ATOM 427 C LEU A 31 109.445 6.458 -16.577 1.00 0.00 C ATOM 428 O LEU A 31 110.228 6.565 -17.505 1.00 0.00 O ATOM 429 CB LEU A 31 108.466 8.108 -14.957 1.00 0.00 C ATOM 430 CG LEU A 31 107.871 9.512 -14.986 1.00 0.00 C ATOM 431 CD1 LEU A 31 107.805 10.075 -13.563 1.00 0.00 C ATOM 432 CD2 LEU A 31 108.748 10.413 -15.864 1.00 0.00 C ATOM 0 H LEU A 31 106.376 7.103 -15.596 1.00 0.00 H new ATOM 0 HA LEU A 31 108.442 8.235 -17.139 1.00 0.00 H new ATOM 0 HB2 LEU A 31 107.945 7.493 -14.223 1.00 0.00 H new ATOM 0 HB3 LEU A 31 109.512 8.148 -14.654 1.00 0.00 H new ATOM 0 HG LEU A 31 106.863 9.474 -15.398 1.00 0.00 H new ATOM 0 HD11 LEU A 31 107.379 11.078 -13.588 1.00 0.00 H new ATOM 0 HD12 LEU A 31 107.179 9.431 -12.945 1.00 0.00 H new ATOM 0 HD13 LEU A 31 108.809 10.117 -13.142 1.00 0.00 H new ATOM 0 HD21 LEU A 31 108.327 11.418 -15.888 1.00 0.00 H new ATOM 0 HD22 LEU A 31 109.757 10.452 -15.452 1.00 0.00 H new ATOM 0 HD23 LEU A 31 108.784 10.010 -16.876 1.00 0.00 H new ATOM 444 N LEU A 32 109.504 5.448 -15.748 1.00 0.00 N ATOM 445 CA LEU A 32 110.543 4.389 -15.922 1.00 0.00 C ATOM 446 C LEU A 32 110.539 3.904 -17.371 1.00 0.00 C ATOM 447 O LEU A 32 111.561 3.852 -18.028 1.00 0.00 O ATOM 448 CB LEU A 32 110.114 3.263 -14.990 1.00 0.00 C ATOM 449 CG LEU A 32 111.334 2.463 -14.504 1.00 0.00 C ATOM 450 CD1 LEU A 32 112.393 2.375 -15.598 1.00 0.00 C ATOM 451 CD2 LEU A 32 111.941 3.141 -13.280 1.00 0.00 C ATOM 0 H LEU A 32 108.876 5.311 -14.956 1.00 0.00 H new ATOM 0 HA LEU A 32 111.548 4.746 -15.696 1.00 0.00 H new ATOM 0 HB2 LEU A 32 109.580 3.676 -14.134 1.00 0.00 H new ATOM 0 HB3 LEU A 32 109.421 2.600 -15.508 1.00 0.00 H new ATOM 0 HG LEU A 32 111.002 1.457 -14.248 1.00 0.00 H new ATOM 0 HD11 LEU A 32 113.247 1.805 -15.233 1.00 0.00 H new ATOM 0 HD12 LEU A 32 111.972 1.878 -16.472 1.00 0.00 H new ATOM 0 HD13 LEU A 32 112.717 3.379 -15.872 1.00 0.00 H new ATOM 0 HD21 LEU A 32 112.805 2.571 -12.939 1.00 0.00 H new ATOM 0 HD22 LEU A 32 112.254 4.152 -13.542 1.00 0.00 H new ATOM 0 HD23 LEU A 32 111.199 3.186 -12.483 1.00 0.00 H new ATOM 463 N GLU A 33 109.382 3.565 -17.873 1.00 0.00 N ATOM 464 CA GLU A 33 109.285 3.100 -19.283 1.00 0.00 C ATOM 465 C GLU A 33 109.528 4.278 -20.234 1.00 0.00 C ATOM 466 O GLU A 33 109.813 4.095 -21.402 1.00 0.00 O ATOM 467 CB GLU A 33 107.858 2.569 -19.428 1.00 0.00 C ATOM 468 CG GLU A 33 107.868 1.044 -19.299 1.00 0.00 C ATOM 469 CD GLU A 33 106.577 0.466 -19.883 1.00 0.00 C ATOM 470 OE1 GLU A 33 106.008 1.099 -20.757 1.00 0.00 O ATOM 471 OE2 GLU A 33 106.180 -0.602 -19.445 1.00 0.00 O ATOM 0 H GLU A 33 108.498 3.591 -17.364 1.00 0.00 H new ATOM 0 HA GLU A 33 110.024 2.336 -19.525 1.00 0.00 H new ATOM 0 HB2 GLU A 33 107.216 3.006 -18.663 1.00 0.00 H new ATOM 0 HB3 GLU A 33 107.446 2.861 -20.394 1.00 0.00 H new ATOM 0 HG2 GLU A 33 108.731 0.631 -19.821 1.00 0.00 H new ATOM 0 HG3 GLU A 33 107.964 0.759 -18.251 1.00 0.00 H new ATOM 478 N ALA A 34 109.424 5.486 -19.740 1.00 0.00 N ATOM 479 CA ALA A 34 109.655 6.675 -20.609 1.00 0.00 C ATOM 480 C ALA A 34 111.157 6.951 -20.734 1.00 0.00 C ATOM 481 O ALA A 34 111.579 7.797 -21.496 1.00 0.00 O ATOM 482 CB ALA A 34 108.956 7.832 -19.895 1.00 0.00 C ATOM 0 H ALA A 34 109.189 5.698 -18.770 1.00 0.00 H new ATOM 0 HA ALA A 34 109.271 6.530 -21.619 1.00 0.00 H new ATOM 0 HB1 ALA A 34 109.081 8.746 -20.475 1.00 0.00 H new ATOM 0 HB2 ALA A 34 107.894 7.609 -19.794 1.00 0.00 H new ATOM 0 HB3 ALA A 34 109.394 7.967 -18.906 1.00 0.00 H new ATOM 488 N GLY A 35 111.968 6.234 -20.000 1.00 0.00 N ATOM 489 CA GLY A 35 113.439 6.447 -20.090 1.00 0.00 C ATOM 490 C GLY A 35 113.996 6.930 -18.747 1.00 0.00 C ATOM 491 O GLY A 35 115.099 7.439 -18.677 1.00 0.00 O ATOM 0 H GLY A 35 111.673 5.511 -19.343 1.00 0.00 H new ATOM 0 HA2 GLY A 35 113.930 5.518 -20.381 1.00 0.00 H new ATOM 0 HA3 GLY A 35 113.659 7.180 -20.866 1.00 0.00 H new ATOM 495 N ALA A 36 113.255 6.772 -17.678 1.00 0.00 N ATOM 496 CA ALA A 36 113.762 7.218 -16.343 1.00 0.00 C ATOM 497 C ALA A 36 115.079 6.508 -16.020 1.00 0.00 C ATOM 498 O ALA A 36 115.407 5.495 -16.605 1.00 0.00 O ATOM 499 CB ALA A 36 112.676 6.824 -15.346 1.00 0.00 C ATOM 0 H ALA A 36 112.324 6.355 -17.672 1.00 0.00 H new ATOM 0 HA ALA A 36 113.962 8.289 -16.314 1.00 0.00 H new ATOM 0 HB1 ALA A 36 112.979 7.121 -14.342 1.00 0.00 H new ATOM 0 HB2 ALA A 36 111.744 7.325 -15.607 1.00 0.00 H new ATOM 0 HB3 ALA A 36 112.528 5.744 -15.376 1.00 0.00 H new ATOM 505 N LEU A 37 115.842 7.039 -15.107 1.00 0.00 N ATOM 506 CA LEU A 37 117.145 6.404 -14.761 1.00 0.00 C ATOM 507 C LEU A 37 117.043 5.598 -13.461 1.00 0.00 C ATOM 508 O LEU A 37 116.869 6.165 -12.400 1.00 0.00 O ATOM 509 CB LEU A 37 118.109 7.574 -14.584 1.00 0.00 C ATOM 510 CG LEU A 37 119.506 7.146 -15.035 1.00 0.00 C ATOM 511 CD1 LEU A 37 119.790 7.702 -16.431 1.00 0.00 C ATOM 512 CD2 LEU A 37 120.549 7.677 -14.048 1.00 0.00 C ATOM 0 H LEU A 37 115.620 7.886 -14.584 1.00 0.00 H new ATOM 0 HA LEU A 37 117.470 5.703 -15.530 1.00 0.00 H new ATOM 0 HB2 LEU A 37 117.772 8.430 -15.168 1.00 0.00 H new ATOM 0 HB3 LEU A 37 118.131 7.888 -13.541 1.00 0.00 H new ATOM 0 HG LEU A 37 119.557 6.058 -15.064 1.00 0.00 H new ATOM 0 HD11 LEU A 37 120.786 7.395 -16.749 1.00 0.00 H new ATOM 0 HD12 LEU A 37 119.050 7.317 -17.133 1.00 0.00 H new ATOM 0 HD13 LEU A 37 119.736 8.790 -16.407 1.00 0.00 H new ATOM 0 HD21 LEU A 37 121.544 7.371 -14.371 1.00 0.00 H new ATOM 0 HD22 LEU A 37 120.497 8.765 -14.014 1.00 0.00 H new ATOM 0 HD23 LEU A 37 120.349 7.273 -13.055 1.00 0.00 H new ATOM 524 N PRO A 38 117.176 4.295 -13.580 1.00 0.00 N ATOM 525 CA PRO A 38 117.113 3.416 -12.384 1.00 0.00 C ATOM 526 C PRO A 38 118.384 3.571 -11.538 1.00 0.00 C ATOM 527 O PRO A 38 118.500 3.005 -10.467 1.00 0.00 O ATOM 528 CB PRO A 38 117.020 2.010 -12.973 1.00 0.00 C ATOM 529 CG PRO A 38 117.628 2.116 -14.335 1.00 0.00 C ATOM 530 CD PRO A 38 117.398 3.525 -14.816 1.00 0.00 C ATOM 0 HA PRO A 38 116.278 3.651 -11.724 1.00 0.00 H new ATOM 0 HB2 PRO A 38 117.557 1.288 -12.357 1.00 0.00 H new ATOM 0 HB3 PRO A 38 115.985 1.674 -13.029 1.00 0.00 H new ATOM 0 HG2 PRO A 38 118.694 1.891 -14.299 1.00 0.00 H new ATOM 0 HG3 PRO A 38 117.173 1.397 -15.017 1.00 0.00 H new ATOM 0 HD2 PRO A 38 118.257 3.902 -15.371 1.00 0.00 H new ATOM 0 HD3 PRO A 38 116.537 3.583 -15.482 1.00 0.00 H new ATOM 538 N ASN A 39 119.340 4.328 -12.013 1.00 0.00 N ATOM 539 CA ASN A 39 120.602 4.518 -11.244 1.00 0.00 C ATOM 540 C ASN A 39 120.953 6.010 -11.168 1.00 0.00 C ATOM 541 O ASN A 39 122.102 6.392 -11.284 1.00 0.00 O ATOM 542 CB ASN A 39 121.659 3.756 -12.048 1.00 0.00 C ATOM 543 CG ASN A 39 121.850 2.358 -11.454 1.00 0.00 C ATOM 544 OD1 ASN A 39 120.848 1.520 -11.446 1.00 0.00 O flip ATOM 545 ND2 ASN A 39 122.924 2.023 -10.994 1.00 0.00 N flip ATOM 0 H ASN A 39 119.299 4.823 -12.904 1.00 0.00 H new ATOM 0 HA ASN A 39 120.527 4.159 -10.218 1.00 0.00 H new ATOM 0 HB2 ASN A 39 121.351 3.680 -13.091 1.00 0.00 H new ATOM 0 HB3 ASN A 39 122.603 4.300 -12.033 1.00 0.00 H new ATOM 0 HD21 ASN A 39 123.707 2.676 -11.000 1.00 0.00 H new ATOM 0 HD22 ASN A 39 123.042 1.089 -10.602 1.00 0.00 H new ATOM 552 N ALA A 40 119.970 6.857 -10.978 1.00 0.00 N ATOM 553 CA ALA A 40 120.246 8.325 -10.900 1.00 0.00 C ATOM 554 C ALA A 40 120.667 8.719 -9.478 1.00 0.00 C ATOM 555 O ALA A 40 120.042 8.315 -8.517 1.00 0.00 O ATOM 556 CB ALA A 40 118.924 9.001 -11.273 1.00 0.00 C ATOM 0 H ALA A 40 118.990 6.595 -10.874 1.00 0.00 H new ATOM 0 HA ALA A 40 121.059 8.622 -11.563 1.00 0.00 H new ATOM 0 HB1 ALA A 40 119.046 10.084 -11.238 1.00 0.00 H new ATOM 0 HB2 ALA A 40 118.633 8.701 -12.280 1.00 0.00 H new ATOM 0 HB3 ALA A 40 118.150 8.701 -10.567 1.00 0.00 H new ATOM 562 N PRO A 41 121.716 9.502 -9.388 1.00 0.00 N ATOM 563 CA PRO A 41 122.213 9.948 -8.064 1.00 0.00 C ATOM 564 C PRO A 41 121.301 11.033 -7.491 1.00 0.00 C ATOM 565 O PRO A 41 121.512 12.210 -7.711 1.00 0.00 O ATOM 566 CB PRO A 41 123.593 10.519 -8.369 1.00 0.00 C ATOM 567 CG PRO A 41 123.538 10.927 -9.807 1.00 0.00 C ATOM 568 CD PRO A 41 122.529 10.039 -10.489 1.00 0.00 C ATOM 0 HA PRO A 41 122.240 9.145 -7.328 1.00 0.00 H new ATOM 0 HB2 PRO A 41 123.818 11.370 -7.726 1.00 0.00 H new ATOM 0 HB3 PRO A 41 124.373 9.777 -8.200 1.00 0.00 H new ATOM 0 HG2 PRO A 41 123.251 11.975 -9.898 1.00 0.00 H new ATOM 0 HG3 PRO A 41 124.518 10.823 -10.273 1.00 0.00 H new ATOM 0 HD2 PRO A 41 121.919 10.600 -11.197 1.00 0.00 H new ATOM 0 HD3 PRO A 41 123.016 9.241 -11.050 1.00 0.00 H new ATOM 576 N ASN A 42 120.293 10.651 -6.755 1.00 0.00 N ATOM 577 CA ASN A 42 119.377 11.669 -6.167 1.00 0.00 C ATOM 578 C ASN A 42 120.160 12.560 -5.200 1.00 0.00 C ATOM 579 O ASN A 42 121.271 12.249 -4.821 1.00 0.00 O ATOM 580 CB ASN A 42 118.303 10.869 -5.421 1.00 0.00 C ATOM 581 CG ASN A 42 116.928 11.158 -6.026 1.00 0.00 C ATOM 582 OD1 ASN A 42 116.118 10.266 -6.169 1.00 0.00 O ATOM 583 ND2 ASN A 42 116.627 12.375 -6.391 1.00 0.00 N ATOM 0 H ASN A 42 120.065 9.681 -6.536 1.00 0.00 H new ATOM 0 HA ASN A 42 118.933 12.318 -6.922 1.00 0.00 H new ATOM 0 HB2 ASN A 42 118.521 9.803 -5.484 1.00 0.00 H new ATOM 0 HB3 ASN A 42 118.308 11.134 -4.364 1.00 0.00 H new ATOM 0 HD21 ASN A 42 115.712 12.575 -6.796 1.00 0.00 H new ATOM 0 HD22 ASN A 42 117.307 13.126 -6.272 1.00 0.00 H new ATOM 590 N SER A 43 119.594 13.667 -4.806 1.00 0.00 N ATOM 591 CA SER A 43 120.308 14.585 -3.869 1.00 0.00 C ATOM 592 C SER A 43 120.085 14.160 -2.412 1.00 0.00 C ATOM 593 O SER A 43 120.233 14.952 -1.501 1.00 0.00 O ATOM 594 CB SER A 43 119.691 15.959 -4.123 1.00 0.00 C ATOM 595 OG SER A 43 118.324 15.801 -4.481 1.00 0.00 O ATOM 0 H SER A 43 118.666 13.978 -5.092 1.00 0.00 H new ATOM 0 HA SER A 43 121.386 14.577 -4.033 1.00 0.00 H new ATOM 0 HB2 SER A 43 119.776 16.579 -3.231 1.00 0.00 H new ATOM 0 HB3 SER A 43 120.231 16.471 -4.920 1.00 0.00 H new ATOM 0 HG SER A 43 117.831 15.416 -3.727 1.00 0.00 H new ATOM 601 N TYR A 44 119.734 12.923 -2.180 1.00 0.00 N ATOM 602 CA TYR A 44 119.508 12.464 -0.777 1.00 0.00 C ATOM 603 C TYR A 44 120.480 11.331 -0.437 1.00 0.00 C ATOM 604 O TYR A 44 120.299 10.618 0.532 1.00 0.00 O ATOM 605 CB TYR A 44 118.059 11.960 -0.744 1.00 0.00 C ATOM 606 CG TYR A 44 117.158 12.919 -1.494 1.00 0.00 C ATOM 607 CD1 TYR A 44 116.866 14.176 -0.948 1.00 0.00 C ATOM 608 CD2 TYR A 44 116.614 12.553 -2.733 1.00 0.00 C ATOM 609 CE1 TYR A 44 116.034 15.065 -1.639 1.00 0.00 C ATOM 610 CE2 TYR A 44 115.782 13.443 -3.423 1.00 0.00 C ATOM 611 CZ TYR A 44 115.491 14.700 -2.875 1.00 0.00 C ATOM 612 OH TYR A 44 114.669 15.579 -3.551 1.00 0.00 O ATOM 0 H TYR A 44 119.594 12.212 -2.898 1.00 0.00 H new ATOM 0 HA TYR A 44 119.673 13.259 -0.050 1.00 0.00 H new ATOM 0 HB2 TYR A 44 118.000 10.968 -1.192 1.00 0.00 H new ATOM 0 HB3 TYR A 44 117.722 11.864 0.288 1.00 0.00 H new ATOM 0 HD1 TYR A 44 117.283 14.459 0.007 1.00 0.00 H new ATOM 0 HD2 TYR A 44 116.837 11.584 -3.155 1.00 0.00 H new ATOM 0 HE1 TYR A 44 115.811 16.034 -1.217 1.00 0.00 H new ATOM 0 HE2 TYR A 44 115.364 13.161 -4.378 1.00 0.00 H new ATOM 0 HH TYR A 44 114.377 15.172 -4.393 1.00 0.00 H new ATOM 622 N GLY A 45 121.509 11.154 -1.232 1.00 0.00 N ATOM 623 CA GLY A 45 122.485 10.062 -0.962 1.00 0.00 C ATOM 624 C GLY A 45 121.734 8.738 -0.823 1.00 0.00 C ATOM 625 O GLY A 45 122.199 7.809 -0.192 1.00 0.00 O ATOM 0 H GLY A 45 121.711 11.721 -2.055 1.00 0.00 H new ATOM 0 HA2 GLY A 45 123.211 9.998 -1.773 1.00 0.00 H new ATOM 0 HA3 GLY A 45 123.043 10.274 -0.050 1.00 0.00 H new ATOM 629 N ARG A 46 120.567 8.650 -1.407 1.00 0.00 N ATOM 630 CA ARG A 46 119.774 7.395 -1.311 1.00 0.00 C ATOM 631 C ARG A 46 119.598 6.773 -2.696 1.00 0.00 C ATOM 632 O ARG A 46 120.206 7.191 -3.661 1.00 0.00 O ATOM 633 CB ARG A 46 118.416 7.822 -0.745 1.00 0.00 C ATOM 634 CG ARG A 46 118.310 7.394 0.723 1.00 0.00 C ATOM 635 CD ARG A 46 117.766 8.553 1.564 1.00 0.00 C ATOM 636 NE ARG A 46 116.834 7.919 2.540 1.00 0.00 N ATOM 637 CZ ARG A 46 117.301 7.376 3.634 1.00 0.00 C ATOM 638 NH1 ARG A 46 118.040 6.301 3.569 1.00 0.00 N ATOM 639 NH2 ARG A 46 117.020 7.905 4.794 1.00 0.00 N ATOM 0 H ARG A 46 120.130 9.397 -1.947 1.00 0.00 H new ATOM 0 HA ARG A 46 120.263 6.649 -0.684 1.00 0.00 H new ATOM 0 HB2 ARG A 46 118.300 8.903 -0.828 1.00 0.00 H new ATOM 0 HB3 ARG A 46 117.611 7.370 -1.325 1.00 0.00 H new ATOM 0 HG2 ARG A 46 117.654 6.528 0.812 1.00 0.00 H new ATOM 0 HG3 ARG A 46 119.289 7.091 1.095 1.00 0.00 H new ATOM 0 HD2 ARG A 46 118.571 9.082 2.074 1.00 0.00 H new ATOM 0 HD3 ARG A 46 117.249 9.283 0.942 1.00 0.00 H new ATOM 0 HE ARG A 46 115.831 7.909 2.354 1.00 0.00 H new ATOM 0 HH11 ARG A 46 118.254 5.883 2.663 1.00 0.00 H new ATOM 0 HH12 ARG A 46 118.403 5.879 4.424 1.00 0.00 H new ATOM 0 HH21 ARG A 46 116.437 8.740 4.846 1.00 0.00 H new ATOM 0 HH22 ARG A 46 117.383 7.483 5.649 1.00 0.00 H new ATOM 653 N ARG A 47 118.765 5.779 -2.793 1.00 0.00 N ATOM 654 CA ARG A 47 118.530 5.112 -4.105 1.00 0.00 C ATOM 655 C ARG A 47 117.187 5.574 -4.682 1.00 0.00 C ATOM 656 O ARG A 47 116.396 6.179 -3.988 1.00 0.00 O ATOM 657 CB ARG A 47 118.497 3.609 -3.787 1.00 0.00 C ATOM 658 CG ARG A 47 119.661 3.240 -2.858 1.00 0.00 C ATOM 659 CD ARG A 47 120.992 3.575 -3.535 1.00 0.00 C ATOM 660 NE ARG A 47 121.884 4.012 -2.423 1.00 0.00 N ATOM 661 CZ ARG A 47 122.791 4.930 -2.631 1.00 0.00 C ATOM 662 NH1 ARG A 47 123.320 5.075 -3.814 1.00 0.00 N ATOM 663 NH2 ARG A 47 123.171 5.704 -1.650 1.00 0.00 N ATOM 0 H ARG A 47 118.231 5.395 -2.014 1.00 0.00 H new ATOM 0 HA ARG A 47 119.297 5.350 -4.842 1.00 0.00 H new ATOM 0 HB2 ARG A 47 117.549 3.350 -3.315 1.00 0.00 H new ATOM 0 HB3 ARG A 47 118.562 3.033 -4.710 1.00 0.00 H new ATOM 0 HG2 ARG A 47 119.574 3.784 -1.918 1.00 0.00 H new ATOM 0 HG3 ARG A 47 119.623 2.178 -2.617 1.00 0.00 H new ATOM 0 HD2 ARG A 47 121.402 2.708 -4.054 1.00 0.00 H new ATOM 0 HD3 ARG A 47 120.871 4.363 -4.278 1.00 0.00 H new ATOM 0 HE ARG A 47 121.786 3.594 -1.498 1.00 0.00 H new ATOM 0 HH11 ARG A 47 123.026 4.471 -4.582 1.00 0.00 H new ATOM 0 HH12 ARG A 47 124.027 5.793 -3.972 1.00 0.00 H new ATOM 0 HH21 ARG A 47 122.760 5.592 -0.723 1.00 0.00 H new ATOM 0 HH22 ARG A 47 123.879 6.421 -1.811 1.00 0.00 H new ATOM 677 N PRO A 48 116.966 5.271 -5.936 1.00 0.00 N ATOM 678 CA PRO A 48 115.695 5.666 -6.595 1.00 0.00 C ATOM 679 C PRO A 48 114.512 4.896 -5.984 1.00 0.00 C ATOM 680 O PRO A 48 113.364 5.231 -6.198 1.00 0.00 O ATOM 681 CB PRO A 48 115.923 5.296 -8.060 1.00 0.00 C ATOM 682 CG PRO A 48 116.967 4.226 -8.022 1.00 0.00 C ATOM 683 CD PRO A 48 117.854 4.540 -6.849 1.00 0.00 C ATOM 0 HA PRO A 48 115.448 6.721 -6.472 1.00 0.00 H new ATOM 0 HB2 PRO A 48 115.005 4.937 -8.526 1.00 0.00 H new ATOM 0 HB3 PRO A 48 116.259 6.157 -8.638 1.00 0.00 H new ATOM 0 HG2 PRO A 48 116.511 3.242 -7.912 1.00 0.00 H new ATOM 0 HG3 PRO A 48 117.540 4.210 -8.949 1.00 0.00 H new ATOM 0 HD2 PRO A 48 118.246 3.634 -6.388 1.00 0.00 H new ATOM 0 HD3 PRO A 48 118.712 5.144 -7.144 1.00 0.00 H new ATOM 691 N ILE A 49 114.787 3.881 -5.199 1.00 0.00 N ATOM 692 CA ILE A 49 113.686 3.114 -4.545 1.00 0.00 C ATOM 693 C ILE A 49 113.665 3.463 -3.054 1.00 0.00 C ATOM 694 O ILE A 49 112.624 3.676 -2.466 1.00 0.00 O ATOM 695 CB ILE A 49 114.030 1.631 -4.756 1.00 0.00 C ATOM 696 CG1 ILE A 49 113.789 1.252 -6.225 1.00 0.00 C ATOM 697 CG2 ILE A 49 113.149 0.754 -3.849 1.00 0.00 C ATOM 698 CD1 ILE A 49 113.571 -0.261 -6.341 1.00 0.00 C ATOM 0 H ILE A 49 115.729 3.553 -4.985 1.00 0.00 H new ATOM 0 HA ILE A 49 112.704 3.345 -4.958 1.00 0.00 H new ATOM 0 HB ILE A 49 115.078 1.468 -4.504 1.00 0.00 H new ATOM 0 HG12 ILE A 49 112.919 1.785 -6.610 1.00 0.00 H new ATOM 0 HG13 ILE A 49 114.642 1.554 -6.833 1.00 0.00 H new ATOM 0 HG21 ILE A 49 113.399 -0.296 -4.004 1.00 0.00 H new ATOM 0 HG22 ILE A 49 113.324 1.018 -2.806 1.00 0.00 H new ATOM 0 HG23 ILE A 49 112.099 0.917 -4.093 1.00 0.00 H new ATOM 0 HD11 ILE A 49 113.400 -0.525 -7.385 1.00 0.00 H new ATOM 0 HD12 ILE A 49 114.453 -0.785 -5.974 1.00 0.00 H new ATOM 0 HD13 ILE A 49 112.704 -0.550 -5.747 1.00 0.00 H new ATOM 710 N GLN A 50 114.821 3.534 -2.442 1.00 0.00 N ATOM 711 CA GLN A 50 114.896 3.879 -0.987 1.00 0.00 C ATOM 712 C GLN A 50 114.062 5.130 -0.689 1.00 0.00 C ATOM 713 O GLN A 50 113.667 5.371 0.435 1.00 0.00 O ATOM 714 CB GLN A 50 116.382 4.142 -0.720 1.00 0.00 C ATOM 715 CG GLN A 50 117.015 2.906 -0.075 1.00 0.00 C ATOM 716 CD GLN A 50 117.869 3.324 1.126 1.00 0.00 C ATOM 717 OE1 GLN A 50 119.063 3.812 0.926 1.00 0.00 O flip ATOM 718 NE2 GLN A 50 117.446 3.202 2.259 1.00 0.00 N flip ATOM 0 H GLN A 50 115.722 3.367 -2.890 1.00 0.00 H new ATOM 0 HA GLN A 50 114.502 3.084 -0.354 1.00 0.00 H new ATOM 0 HB2 GLN A 50 116.893 4.380 -1.653 1.00 0.00 H new ATOM 0 HB3 GLN A 50 116.497 5.006 -0.065 1.00 0.00 H new ATOM 0 HG2 GLN A 50 116.237 2.213 0.245 1.00 0.00 H new ATOM 0 HG3 GLN A 50 117.631 2.379 -0.804 1.00 0.00 H new ATOM 0 HE21 GLN A 50 116.513 2.821 2.417 1.00 0.00 H new ATOM 0 HE22 GLN A 50 118.024 3.481 3.052 1.00 0.00 H new ATOM 727 N VAL A 51 113.787 5.924 -1.689 1.00 0.00 N ATOM 728 CA VAL A 51 112.973 7.149 -1.468 1.00 0.00 C ATOM 729 C VAL A 51 111.649 7.059 -2.236 1.00 0.00 C ATOM 730 O VAL A 51 111.155 8.050 -2.734 1.00 0.00 O ATOM 731 CB VAL A 51 113.823 8.303 -2.008 1.00 0.00 C ATOM 732 CG1 VAL A 51 113.959 8.180 -3.527 1.00 0.00 C ATOM 733 CG2 VAL A 51 113.146 9.638 -1.672 1.00 0.00 C ATOM 0 H VAL A 51 114.093 5.775 -2.651 1.00 0.00 H new ATOM 0 HA VAL A 51 112.722 7.284 -0.416 1.00 0.00 H new ATOM 0 HB VAL A 51 114.811 8.263 -1.549 1.00 0.00 H new ATOM 0 HG11 VAL A 51 114.564 9.003 -3.906 1.00 0.00 H new ATOM 0 HG12 VAL A 51 114.439 7.233 -3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 51 112.970 8.216 -3.985 1.00 0.00 H new ATOM 0 HG21 VAL A 51 113.751 10.459 -2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 51 112.157 9.670 -2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 51 113.048 9.734 -0.591 1.00 0.00 H new ATOM 743 N MET A 52 111.065 5.888 -2.334 1.00 0.00 N ATOM 744 CA MET A 52 109.768 5.773 -3.070 1.00 0.00 C ATOM 745 C MET A 52 108.608 5.829 -2.081 1.00 0.00 C ATOM 746 O MET A 52 107.596 5.176 -2.253 1.00 0.00 O ATOM 747 CB MET A 52 109.790 4.420 -3.793 1.00 0.00 C ATOM 748 CG MET A 52 109.957 3.280 -2.783 1.00 0.00 C ATOM 749 SD MET A 52 108.561 2.129 -2.905 1.00 0.00 S ATOM 750 CE MET A 52 109.428 0.652 -2.308 1.00 0.00 C ATOM 0 H MET A 52 111.425 5.018 -1.941 1.00 0.00 H new ATOM 0 HA MET A 52 109.639 6.589 -3.781 1.00 0.00 H new ATOM 0 HB2 MET A 52 108.866 4.285 -4.354 1.00 0.00 H new ATOM 0 HB3 MET A 52 110.607 4.399 -4.514 1.00 0.00 H new ATOM 0 HG2 MET A 52 110.892 2.751 -2.971 1.00 0.00 H new ATOM 0 HG3 MET A 52 110.017 3.685 -1.773 1.00 0.00 H new ATOM 0 HE1 MET A 52 109.017 -0.233 -2.795 1.00 0.00 H new ATOM 0 HE2 MET A 52 110.490 0.734 -2.541 1.00 0.00 H new ATOM 0 HE3 MET A 52 109.299 0.565 -1.229 1.00 0.00 H new ATOM 760 N MET A 53 108.758 6.601 -1.034 1.00 0.00 N ATOM 761 CA MET A 53 107.681 6.713 -0.004 1.00 0.00 C ATOM 762 C MET A 53 107.516 5.391 0.759 1.00 0.00 C ATOM 763 O MET A 53 106.766 5.318 1.712 1.00 0.00 O ATOM 764 CB MET A 53 106.403 7.051 -0.779 1.00 0.00 C ATOM 765 CG MET A 53 105.495 7.925 0.087 1.00 0.00 C ATOM 766 SD MET A 53 103.851 8.007 -0.659 1.00 0.00 S ATOM 767 CE MET A 53 103.381 6.290 -0.346 1.00 0.00 C ATOM 0 H MET A 53 109.588 7.163 -0.848 1.00 0.00 H new ATOM 0 HA MET A 53 107.916 7.475 0.739 1.00 0.00 H new ATOM 0 HB2 MET A 53 106.653 7.572 -1.703 1.00 0.00 H new ATOM 0 HB3 MET A 53 105.883 6.135 -1.060 1.00 0.00 H new ATOM 0 HG2 MET A 53 105.429 7.514 1.094 1.00 0.00 H new ATOM 0 HG3 MET A 53 105.915 8.927 0.178 1.00 0.00 H new ATOM 0 HE1 MET A 53 102.302 6.229 -0.201 1.00 0.00 H new ATOM 0 HE2 MET A 53 103.668 5.673 -1.197 1.00 0.00 H new ATOM 0 HE3 MET A 53 103.888 5.931 0.550 1.00 0.00 H new ATOM 777 N MET A 54 108.199 4.344 0.346 1.00 0.00 N ATOM 778 CA MET A 54 108.070 3.023 1.041 1.00 0.00 C ATOM 779 C MET A 54 106.599 2.722 1.348 1.00 0.00 C ATOM 780 O MET A 54 106.277 2.005 2.274 1.00 0.00 O ATOM 781 CB MET A 54 108.896 3.156 2.322 1.00 0.00 C ATOM 782 CG MET A 54 110.297 2.576 2.086 1.00 0.00 C ATOM 783 SD MET A 54 111.062 3.381 0.651 1.00 0.00 S ATOM 784 CE MET A 54 111.488 1.875 -0.263 1.00 0.00 C ATOM 0 H MET A 54 108.842 4.351 -0.446 1.00 0.00 H new ATOM 0 HA MET A 54 108.427 2.196 0.427 1.00 0.00 H new ATOM 0 HB2 MET A 54 108.968 4.204 2.614 1.00 0.00 H new ATOM 0 HB3 MET A 54 108.405 2.630 3.141 1.00 0.00 H new ATOM 0 HG2 MET A 54 110.916 2.725 2.971 1.00 0.00 H new ATOM 0 HG3 MET A 54 110.232 1.501 1.920 1.00 0.00 H new ATOM 0 HE1 MET A 54 111.348 2.045 -1.330 1.00 0.00 H new ATOM 0 HE2 MET A 54 112.529 1.615 -0.071 1.00 0.00 H new ATOM 0 HE3 MET A 54 110.844 1.058 0.062 1.00 0.00 H new ATOM 794 N GLY A 55 105.712 3.264 0.557 1.00 0.00 N ATOM 795 CA GLY A 55 104.258 3.024 0.762 1.00 0.00 C ATOM 796 C GLY A 55 103.659 2.487 -0.540 1.00 0.00 C ATOM 797 O GLY A 55 102.457 2.404 -0.695 1.00 0.00 O ATOM 0 H GLY A 55 105.938 3.870 -0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 55 104.104 2.310 1.571 1.00 0.00 H new ATOM 0 HA3 GLY A 55 103.760 3.949 1.053 1.00 0.00 H new ATOM 801 N SER A 56 104.495 2.116 -1.474 1.00 0.00 N ATOM 802 CA SER A 56 103.994 1.576 -2.767 1.00 0.00 C ATOM 803 C SER A 56 104.996 0.557 -3.322 1.00 0.00 C ATOM 804 O SER A 56 105.933 0.910 -4.009 1.00 0.00 O ATOM 805 CB SER A 56 103.893 2.795 -3.685 1.00 0.00 C ATOM 806 OG SER A 56 102.597 3.375 -3.564 1.00 0.00 O ATOM 0 H SER A 56 105.511 2.165 -1.393 1.00 0.00 H new ATOM 0 HA SER A 56 103.037 1.063 -2.670 1.00 0.00 H new ATOM 0 HB2 SER A 56 104.657 3.527 -3.421 1.00 0.00 H new ATOM 0 HB3 SER A 56 104.077 2.501 -4.719 1.00 0.00 H new ATOM 0 HG SER A 56 102.236 3.186 -2.673 1.00 0.00 H new ATOM 812 N ALA A 57 104.803 -0.703 -3.025 1.00 0.00 N ATOM 813 CA ALA A 57 105.744 -1.747 -3.530 1.00 0.00 C ATOM 814 C ALA A 57 105.790 -1.710 -5.057 1.00 0.00 C ATOM 815 O ALA A 57 106.814 -1.948 -5.665 1.00 0.00 O ATOM 816 CB ALA A 57 105.173 -3.079 -3.046 1.00 0.00 C ATOM 0 H ALA A 57 104.034 -1.054 -2.454 1.00 0.00 H new ATOM 0 HA ALA A 57 106.761 -1.592 -3.170 1.00 0.00 H new ATOM 0 HB1 ALA A 57 105.815 -3.893 -3.381 1.00 0.00 H new ATOM 0 HB2 ALA A 57 105.125 -3.080 -1.957 1.00 0.00 H new ATOM 0 HB3 ALA A 57 104.171 -3.215 -3.454 1.00 0.00 H new ATOM 822 N ARG A 58 104.680 -1.401 -5.677 1.00 0.00 N ATOM 823 CA ARG A 58 104.645 -1.334 -7.168 1.00 0.00 C ATOM 824 C ARG A 58 105.766 -0.432 -7.679 1.00 0.00 C ATOM 825 O ARG A 58 106.432 -0.749 -8.647 1.00 0.00 O ATOM 826 CB ARG A 58 103.288 -0.727 -7.508 1.00 0.00 C ATOM 827 CG ARG A 58 102.346 -1.829 -7.990 1.00 0.00 C ATOM 828 CD ARG A 58 101.597 -2.428 -6.785 1.00 0.00 C ATOM 829 NE ARG A 58 100.313 -2.927 -7.348 1.00 0.00 N ATOM 830 CZ ARG A 58 99.225 -2.226 -7.205 1.00 0.00 C ATOM 831 NH1 ARG A 58 98.931 -1.709 -6.042 1.00 0.00 N ATOM 832 NH2 ARG A 58 98.431 -2.034 -8.223 1.00 0.00 N ATOM 0 H ARG A 58 103.796 -1.192 -5.214 1.00 0.00 H new ATOM 0 HA ARG A 58 104.782 -2.314 -7.626 1.00 0.00 H new ATOM 0 HB2 ARG A 58 102.869 -0.232 -6.632 1.00 0.00 H new ATOM 0 HB3 ARG A 58 103.401 0.034 -8.280 1.00 0.00 H new ATOM 0 HG2 ARG A 58 101.634 -1.425 -8.710 1.00 0.00 H new ATOM 0 HG3 ARG A 58 102.911 -2.607 -8.503 1.00 0.00 H new ATOM 0 HD2 ARG A 58 102.168 -3.235 -6.325 1.00 0.00 H new ATOM 0 HD3 ARG A 58 101.426 -1.678 -6.013 1.00 0.00 H new ATOM 0 HE ARG A 58 100.285 -3.817 -7.845 1.00 0.00 H new ATOM 0 HH11 ARG A 58 99.553 -1.855 -5.247 1.00 0.00 H new ATOM 0 HH12 ARG A 58 98.079 -1.160 -5.929 1.00 0.00 H new ATOM 0 HH21 ARG A 58 98.662 -2.433 -9.133 1.00 0.00 H new ATOM 0 HH22 ARG A 58 97.579 -1.485 -8.109 1.00 0.00 H new ATOM 846 N VAL A 59 105.989 0.687 -7.031 1.00 0.00 N ATOM 847 CA VAL A 59 107.083 1.600 -7.477 1.00 0.00 C ATOM 848 C VAL A 59 108.356 0.778 -7.693 1.00 0.00 C ATOM 849 O VAL A 59 108.953 0.801 -8.752 1.00 0.00 O ATOM 850 CB VAL A 59 107.274 2.602 -6.334 1.00 0.00 C ATOM 851 CG1 VAL A 59 108.461 3.516 -6.652 1.00 0.00 C ATOM 852 CG2 VAL A 59 106.011 3.452 -6.170 1.00 0.00 C ATOM 0 H VAL A 59 105.462 1.004 -6.217 1.00 0.00 H new ATOM 0 HA VAL A 59 106.852 2.111 -8.411 1.00 0.00 H new ATOM 0 HB VAL A 59 107.465 2.058 -5.409 1.00 0.00 H new ATOM 0 HG11 VAL A 59 108.598 4.230 -5.840 1.00 0.00 H new ATOM 0 HG12 VAL A 59 109.363 2.915 -6.763 1.00 0.00 H new ATOM 0 HG13 VAL A 59 108.267 4.055 -7.579 1.00 0.00 H new ATOM 0 HG21 VAL A 59 106.154 4.162 -5.356 1.00 0.00 H new ATOM 0 HG22 VAL A 59 105.815 3.995 -7.095 1.00 0.00 H new ATOM 0 HG23 VAL A 59 105.164 2.805 -5.943 1.00 0.00 H new ATOM 862 N ALA A 60 108.753 0.025 -6.699 1.00 0.00 N ATOM 863 CA ALA A 60 109.962 -0.828 -6.845 1.00 0.00 C ATOM 864 C ALA A 60 109.723 -1.859 -7.947 1.00 0.00 C ATOM 865 O ALA A 60 110.573 -2.099 -8.773 1.00 0.00 O ATOM 866 CB ALA A 60 110.134 -1.522 -5.495 1.00 0.00 C ATOM 0 H ALA A 60 108.289 -0.033 -5.793 1.00 0.00 H new ATOM 0 HA ALA A 60 110.848 -0.254 -7.115 1.00 0.00 H new ATOM 0 HB1 ALA A 60 111.010 -2.170 -5.528 1.00 0.00 H new ATOM 0 HB2 ALA A 60 110.267 -0.772 -4.715 1.00 0.00 H new ATOM 0 HB3 ALA A 60 109.249 -2.119 -5.277 1.00 0.00 H new ATOM 872 N GLU A 61 108.563 -2.469 -7.968 1.00 0.00 N ATOM 873 CA GLU A 61 108.265 -3.486 -9.025 1.00 0.00 C ATOM 874 C GLU A 61 108.668 -2.952 -10.405 1.00 0.00 C ATOM 875 O GLU A 61 109.085 -3.698 -11.266 1.00 0.00 O ATOM 876 CB GLU A 61 106.755 -3.717 -8.955 1.00 0.00 C ATOM 877 CG GLU A 61 106.465 -5.217 -9.041 1.00 0.00 C ATOM 878 CD GLU A 61 104.955 -5.445 -9.030 1.00 0.00 C ATOM 879 OE1 GLU A 61 104.340 -5.156 -8.016 1.00 0.00 O ATOM 880 OE2 GLU A 61 104.437 -5.901 -10.036 1.00 0.00 O ATOM 0 H GLU A 61 107.810 -2.307 -7.299 1.00 0.00 H new ATOM 0 HA GLU A 61 108.820 -4.411 -8.869 1.00 0.00 H new ATOM 0 HB2 GLU A 61 106.357 -3.311 -8.025 1.00 0.00 H new ATOM 0 HB3 GLU A 61 106.258 -3.192 -9.771 1.00 0.00 H new ATOM 0 HG2 GLU A 61 106.899 -5.631 -9.951 1.00 0.00 H new ATOM 0 HG3 GLU A 61 106.928 -5.736 -8.202 1.00 0.00 H new ATOM 887 N LEU A 62 108.575 -1.664 -10.606 1.00 0.00 N ATOM 888 CA LEU A 62 108.978 -1.069 -11.897 1.00 0.00 C ATOM 889 C LEU A 62 110.460 -0.708 -11.801 1.00 0.00 C ATOM 890 O LEU A 62 111.257 -1.063 -12.646 1.00 0.00 O ATOM 891 CB LEU A 62 108.090 0.168 -12.026 1.00 0.00 C ATOM 892 CG LEU A 62 108.736 1.152 -12.980 1.00 0.00 C ATOM 893 CD1 LEU A 62 108.538 0.665 -14.416 1.00 0.00 C ATOM 894 CD2 LEU A 62 108.093 2.526 -12.803 1.00 0.00 C ATOM 0 H LEU A 62 108.231 -0.996 -9.916 1.00 0.00 H new ATOM 0 HA LEU A 62 108.860 -1.722 -12.762 1.00 0.00 H new ATOM 0 HB2 LEU A 62 107.103 -0.115 -12.391 1.00 0.00 H new ATOM 0 HB3 LEU A 62 107.948 0.631 -11.049 1.00 0.00 H new ATOM 0 HG LEU A 62 109.803 1.227 -12.769 1.00 0.00 H new ATOM 0 HD11 LEU A 62 109.001 1.370 -15.106 1.00 0.00 H new ATOM 0 HD12 LEU A 62 108.999 -0.315 -14.535 1.00 0.00 H new ATOM 0 HD13 LEU A 62 107.472 0.593 -14.632 1.00 0.00 H new ATOM 0 HD21 LEU A 62 108.556 3.236 -13.488 1.00 0.00 H new ATOM 0 HD22 LEU A 62 107.026 2.459 -13.017 1.00 0.00 H new ATOM 0 HD23 LEU A 62 108.237 2.866 -11.777 1.00 0.00 H new ATOM 906 N LEU A 63 110.830 -0.025 -10.752 1.00 0.00 N ATOM 907 CA LEU A 63 112.259 0.350 -10.560 1.00 0.00 C ATOM 908 C LEU A 63 113.122 -0.914 -10.572 1.00 0.00 C ATOM 909 O LEU A 63 114.048 -1.042 -11.348 1.00 0.00 O ATOM 910 CB LEU A 63 112.301 1.013 -9.183 1.00 0.00 C ATOM 911 CG LEU A 63 112.218 2.532 -9.340 1.00 0.00 C ATOM 912 CD1 LEU A 63 111.222 3.104 -8.323 1.00 0.00 C ATOM 913 CD2 LEU A 63 113.603 3.137 -9.097 1.00 0.00 C ATOM 0 H LEU A 63 110.199 0.291 -10.015 1.00 0.00 H new ATOM 0 HA LEU A 63 112.636 1.009 -11.342 1.00 0.00 H new ATOM 0 HB2 LEU A 63 111.473 0.655 -8.571 1.00 0.00 H new ATOM 0 HB3 LEU A 63 113.221 0.741 -8.665 1.00 0.00 H new ATOM 0 HG LEU A 63 111.880 2.777 -10.347 1.00 0.00 H new ATOM 0 HD11 LEU A 63 111.166 4.186 -8.438 1.00 0.00 H new ATOM 0 HD12 LEU A 63 110.237 2.669 -8.494 1.00 0.00 H new ATOM 0 HD13 LEU A 63 111.554 2.863 -7.313 1.00 0.00 H new ATOM 0 HD21 LEU A 63 113.551 4.220 -9.207 1.00 0.00 H new ATOM 0 HD22 LEU A 63 113.936 2.890 -8.089 1.00 0.00 H new ATOM 0 HD23 LEU A 63 114.309 2.732 -9.822 1.00 0.00 H new ATOM 925 N LEU A 64 112.807 -1.853 -9.718 1.00 0.00 N ATOM 926 CA LEU A 64 113.580 -3.126 -9.671 1.00 0.00 C ATOM 927 C LEU A 64 113.470 -3.848 -11.016 1.00 0.00 C ATOM 928 O LEU A 64 114.456 -4.302 -11.562 1.00 0.00 O ATOM 929 CB LEU A 64 112.936 -3.955 -8.559 1.00 0.00 C ATOM 930 CG LEU A 64 114.034 -4.483 -7.638 1.00 0.00 C ATOM 931 CD1 LEU A 64 114.453 -3.380 -6.669 1.00 0.00 C ATOM 932 CD2 LEU A 64 113.516 -5.686 -6.845 1.00 0.00 C ATOM 0 H LEU A 64 112.041 -1.790 -9.047 1.00 0.00 H new ATOM 0 HA LEU A 64 114.640 -2.959 -9.479 1.00 0.00 H new ATOM 0 HB2 LEU A 64 112.231 -3.345 -7.994 1.00 0.00 H new ATOM 0 HB3 LEU A 64 112.371 -4.784 -8.985 1.00 0.00 H new ATOM 0 HG LEU A 64 114.890 -4.792 -8.239 1.00 0.00 H new ATOM 0 HD11 LEU A 64 115.237 -3.753 -6.010 1.00 0.00 H new ATOM 0 HD12 LEU A 64 114.828 -2.525 -7.231 1.00 0.00 H new ATOM 0 HD13 LEU A 64 113.593 -3.073 -6.073 1.00 0.00 H new ATOM 0 HD21 LEU A 64 114.305 -6.057 -6.190 1.00 0.00 H new ATOM 0 HD22 LEU A 64 112.658 -5.384 -6.244 1.00 0.00 H new ATOM 0 HD23 LEU A 64 113.216 -6.475 -7.535 1.00 0.00 H new ATOM 944 N LEU A 65 112.282 -3.940 -11.567 1.00 0.00 N ATOM 945 CA LEU A 65 112.128 -4.609 -12.892 1.00 0.00 C ATOM 946 C LEU A 65 113.100 -3.970 -13.879 1.00 0.00 C ATOM 947 O LEU A 65 113.618 -4.608 -14.775 1.00 0.00 O ATOM 948 CB LEU A 65 110.672 -4.339 -13.311 1.00 0.00 C ATOM 949 CG LEU A 65 110.540 -4.297 -14.845 1.00 0.00 C ATOM 950 CD1 LEU A 65 111.057 -5.605 -15.454 1.00 0.00 C ATOM 951 CD2 LEU A 65 109.067 -4.112 -15.220 1.00 0.00 C ATOM 0 H LEU A 65 111.419 -3.582 -11.157 1.00 0.00 H new ATOM 0 HA LEU A 65 112.339 -5.678 -12.860 1.00 0.00 H new ATOM 0 HB2 LEU A 65 110.023 -5.116 -12.907 1.00 0.00 H new ATOM 0 HB3 LEU A 65 110.337 -3.392 -12.887 1.00 0.00 H new ATOM 0 HG LEU A 65 111.130 -3.466 -15.232 1.00 0.00 H new ATOM 0 HD11 LEU A 65 110.959 -5.565 -16.539 1.00 0.00 H new ATOM 0 HD12 LEU A 65 112.106 -5.740 -15.189 1.00 0.00 H new ATOM 0 HD13 LEU A 65 110.474 -6.441 -15.068 1.00 0.00 H new ATOM 0 HD21 LEU A 65 108.969 -4.082 -16.305 1.00 0.00 H new ATOM 0 HD22 LEU A 65 108.484 -4.944 -14.826 1.00 0.00 H new ATOM 0 HD23 LEU A 65 108.698 -3.178 -14.796 1.00 0.00 H new ATOM 963 N HIS A 66 113.339 -2.702 -13.708 1.00 0.00 N ATOM 964 CA HIS A 66 114.254 -1.974 -14.599 1.00 0.00 C ATOM 965 C HIS A 66 115.679 -1.979 -14.022 1.00 0.00 C ATOM 966 O HIS A 66 116.604 -1.462 -14.615 1.00 0.00 O ATOM 967 CB HIS A 66 113.657 -0.581 -14.614 1.00 0.00 C ATOM 968 CG HIS A 66 112.805 -0.424 -15.841 1.00 0.00 C ATOM 969 ND1 HIS A 66 111.427 -0.565 -15.808 1.00 0.00 N ATOM 970 CD2 HIS A 66 113.118 -0.125 -17.139 1.00 0.00 C ATOM 971 CE1 HIS A 66 110.967 -0.350 -17.053 1.00 0.00 C ATOM 972 NE2 HIS A 66 111.957 -0.080 -17.905 1.00 0.00 N ATOM 0 H HIS A 66 112.924 -2.135 -12.968 1.00 0.00 H new ATOM 0 HA HIS A 66 114.346 -2.406 -15.596 1.00 0.00 H new ATOM 0 HB2 HIS A 66 113.059 -0.419 -13.718 1.00 0.00 H new ATOM 0 HB3 HIS A 66 114.449 0.168 -14.608 1.00 0.00 H new ATOM 0 HD2 HIS A 66 114.116 0.050 -17.513 1.00 0.00 H new ATOM 0 HE1 HIS A 66 109.924 -0.391 -17.329 1.00 0.00 H new ATOM 0 HE2 HIS A 66 111.880 0.117 -18.903 1.00 0.00 H new ATOM 980 N GLY A 67 115.855 -2.580 -12.872 1.00 0.00 N ATOM 981 CA GLY A 67 117.198 -2.653 -12.246 1.00 0.00 C ATOM 982 C GLY A 67 117.531 -1.338 -11.539 1.00 0.00 C ATOM 983 O GLY A 67 118.472 -0.656 -11.896 1.00 0.00 O ATOM 0 H GLY A 67 115.110 -3.028 -12.338 1.00 0.00 H new ATOM 0 HA2 GLY A 67 117.228 -3.475 -11.531 1.00 0.00 H new ATOM 0 HA3 GLY A 67 117.949 -2.864 -13.007 1.00 0.00 H new ATOM 987 N ALA A 68 116.778 -0.985 -10.529 1.00 0.00 N ATOM 988 CA ALA A 68 117.065 0.278 -9.789 1.00 0.00 C ATOM 989 C ALA A 68 118.330 0.093 -8.948 1.00 0.00 C ATOM 990 O ALA A 68 119.207 -0.671 -9.300 1.00 0.00 O ATOM 991 CB ALA A 68 115.840 0.489 -8.897 1.00 0.00 C ATOM 0 H ALA A 68 115.978 -1.517 -10.186 1.00 0.00 H new ATOM 0 HA ALA A 68 117.236 1.132 -10.444 1.00 0.00 H new ATOM 0 HB1 ALA A 68 115.967 1.401 -8.314 1.00 0.00 H new ATOM 0 HB2 ALA A 68 114.948 0.576 -9.518 1.00 0.00 H new ATOM 0 HB3 ALA A 68 115.730 -0.360 -8.223 1.00 0.00 H new ATOM 997 N GLU A 69 118.429 0.770 -7.838 1.00 0.00 N ATOM 998 CA GLU A 69 119.638 0.613 -6.975 1.00 0.00 C ATOM 999 C GLU A 69 119.255 -0.018 -5.622 1.00 0.00 C ATOM 1000 O GLU A 69 119.514 0.551 -4.580 1.00 0.00 O ATOM 1001 CB GLU A 69 120.186 2.035 -6.785 1.00 0.00 C ATOM 1002 CG GLU A 69 121.596 2.132 -7.378 1.00 0.00 C ATOM 1003 CD GLU A 69 122.313 3.358 -6.804 1.00 0.00 C ATOM 1004 OE1 GLU A 69 122.836 3.255 -5.706 1.00 0.00 O ATOM 1005 OE2 GLU A 69 122.334 4.376 -7.477 1.00 0.00 O ATOM 0 H GLU A 69 117.728 1.424 -7.490 1.00 0.00 H new ATOM 0 HA GLU A 69 120.381 -0.046 -7.424 1.00 0.00 H new ATOM 0 HB2 GLU A 69 119.528 2.756 -7.269 1.00 0.00 H new ATOM 0 HB3 GLU A 69 120.209 2.287 -5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 69 122.160 1.228 -7.149 1.00 0.00 H new ATOM 0 HG3 GLU A 69 121.540 2.206 -8.464 1.00 0.00 H new ATOM 1012 N PRO A 70 118.652 -1.187 -5.677 1.00 0.00 N ATOM 1013 CA PRO A 70 118.246 -1.892 -4.430 1.00 0.00 C ATOM 1014 C PRO A 70 119.476 -2.445 -3.698 1.00 0.00 C ATOM 1015 O PRO A 70 119.366 -3.048 -2.648 1.00 0.00 O ATOM 1016 CB PRO A 70 117.371 -3.033 -4.935 1.00 0.00 C ATOM 1017 CG PRO A 70 117.838 -3.280 -6.333 1.00 0.00 C ATOM 1018 CD PRO A 70 118.293 -1.954 -6.876 1.00 0.00 C ATOM 0 HA PRO A 70 117.734 -1.241 -3.721 1.00 0.00 H new ATOM 0 HB2 PRO A 70 117.485 -3.923 -4.316 1.00 0.00 H new ATOM 0 HB3 PRO A 70 116.315 -2.762 -4.912 1.00 0.00 H new ATOM 0 HG2 PRO A 70 118.653 -4.004 -6.347 1.00 0.00 H new ATOM 0 HG3 PRO A 70 117.034 -3.693 -6.943 1.00 0.00 H new ATOM 0 HD2 PRO A 70 119.144 -2.068 -7.547 1.00 0.00 H new ATOM 0 HD3 PRO A 70 117.503 -1.462 -7.443 1.00 0.00 H new ATOM 1026 N ASN A 71 120.648 -2.251 -4.245 1.00 0.00 N ATOM 1027 CA ASN A 71 121.880 -2.764 -3.584 1.00 0.00 C ATOM 1028 C ASN A 71 122.583 -1.624 -2.840 1.00 0.00 C ATOM 1029 O ASN A 71 122.560 -1.552 -1.627 1.00 0.00 O ATOM 1030 CB ASN A 71 122.751 -3.280 -4.737 1.00 0.00 C ATOM 1031 CG ASN A 71 124.195 -3.467 -4.261 1.00 0.00 C ATOM 1032 OD1 ASN A 71 125.125 -3.082 -4.940 1.00 0.00 O ATOM 1033 ND2 ASN A 71 124.420 -4.040 -3.111 1.00 0.00 N ATOM 0 H ASN A 71 120.803 -1.757 -5.124 1.00 0.00 H new ATOM 0 HA ASN A 71 121.674 -3.543 -2.850 1.00 0.00 H new ATOM 0 HB2 ASN A 71 122.356 -4.226 -5.107 1.00 0.00 H new ATOM 0 HB3 ASN A 71 122.722 -2.576 -5.569 1.00 0.00 H new ATOM 0 HD21 ASN A 71 125.377 -4.165 -2.782 1.00 0.00 H new ATOM 0 HD22 ASN A 71 123.639 -4.363 -2.541 1.00 0.00 H new ATOM 1040 N CYS A 72 123.214 -0.739 -3.567 1.00 0.00 N ATOM 1041 CA CYS A 72 123.934 0.398 -2.923 1.00 0.00 C ATOM 1042 C CYS A 72 123.042 1.094 -1.894 1.00 0.00 C ATOM 1043 O CYS A 72 121.886 1.376 -2.141 1.00 0.00 O ATOM 1044 CB CYS A 72 124.280 1.357 -4.064 1.00 0.00 C ATOM 1045 SG CYS A 72 126.066 1.654 -4.087 1.00 0.00 S ATOM 0 H CYS A 72 123.261 -0.756 -4.586 1.00 0.00 H new ATOM 0 HA CYS A 72 124.822 0.060 -2.389 1.00 0.00 H new ATOM 0 HB2 CYS A 72 123.959 0.936 -5.017 1.00 0.00 H new ATOM 0 HB3 CYS A 72 123.746 2.299 -3.936 1.00 0.00 H new ATOM 0 HG CYS A 72 126.358 2.467 -5.058 1.00 0.00 H new ATOM 1051 N ALA A 73 123.586 1.374 -0.748 1.00 0.00 N ATOM 1052 CA ALA A 73 122.803 2.057 0.319 1.00 0.00 C ATOM 1053 C ALA A 73 123.582 3.292 0.794 1.00 0.00 C ATOM 1054 O ALA A 73 124.098 4.043 -0.009 1.00 0.00 O ATOM 1055 CB ALA A 73 122.670 1.009 1.427 1.00 0.00 C ATOM 0 H ALA A 73 124.551 1.157 -0.499 1.00 0.00 H new ATOM 0 HA ALA A 73 121.824 2.408 -0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 73 122.104 1.428 2.258 1.00 0.00 H new ATOM 0 HB2 ALA A 73 122.150 0.133 1.039 1.00 0.00 H new ATOM 0 HB3 ALA A 73 123.662 0.718 1.774 1.00 0.00 H new ATOM 1061 N ASP A 74 123.695 3.506 2.079 1.00 0.00 N ATOM 1062 CA ASP A 74 124.462 4.690 2.570 1.00 0.00 C ATOM 1063 C ASP A 74 125.776 4.219 3.208 1.00 0.00 C ATOM 1064 O ASP A 74 125.763 3.388 4.086 1.00 0.00 O ATOM 1065 CB ASP A 74 123.558 5.348 3.613 1.00 0.00 C ATOM 1066 CG ASP A 74 122.739 6.456 2.946 1.00 0.00 C ATOM 1067 OD1 ASP A 74 122.265 6.232 1.844 1.00 0.00 O ATOM 1068 OD2 ASP A 74 122.602 7.508 3.546 1.00 0.00 O ATOM 0 H ASP A 74 123.292 2.916 2.807 1.00 0.00 H new ATOM 0 HA ASP A 74 124.720 5.385 1.771 1.00 0.00 H new ATOM 0 HB2 ASP A 74 122.894 4.606 4.056 1.00 0.00 H new ATOM 0 HB3 ASP A 74 124.159 5.762 4.423 1.00 0.00 H new ATOM 1073 N PRO A 75 126.877 4.758 2.745 1.00 0.00 N ATOM 1074 CA PRO A 75 128.194 4.360 3.293 1.00 0.00 C ATOM 1075 C PRO A 75 128.451 5.039 4.649 1.00 0.00 C ATOM 1076 O PRO A 75 129.514 4.908 5.223 1.00 0.00 O ATOM 1077 CB PRO A 75 129.180 4.839 2.230 1.00 0.00 C ATOM 1078 CG PRO A 75 128.489 5.962 1.521 1.00 0.00 C ATOM 1079 CD PRO A 75 127.002 5.769 1.687 1.00 0.00 C ATOM 0 HA PRO A 75 128.274 3.290 3.486 1.00 0.00 H new ATOM 0 HB2 PRO A 75 130.113 5.176 2.683 1.00 0.00 H new ATOM 0 HB3 PRO A 75 129.433 4.035 1.539 1.00 0.00 H new ATOM 0 HG2 PRO A 75 128.798 6.922 1.935 1.00 0.00 H new ATOM 0 HG3 PRO A 75 128.757 5.969 0.465 1.00 0.00 H new ATOM 0 HD2 PRO A 75 126.510 6.700 1.968 1.00 0.00 H new ATOM 0 HD3 PRO A 75 126.540 5.432 0.759 1.00 0.00 H new ATOM 1087 N ALA A 76 127.479 5.745 5.173 1.00 0.00 N ATOM 1088 CA ALA A 76 127.657 6.407 6.499 1.00 0.00 C ATOM 1089 C ALA A 76 126.854 5.637 7.550 1.00 0.00 C ATOM 1090 O ALA A 76 127.329 5.365 8.637 1.00 0.00 O ATOM 1091 CB ALA A 76 127.101 7.823 6.319 1.00 0.00 C ATOM 0 H ALA A 76 126.568 5.891 4.737 1.00 0.00 H new ATOM 0 HA ALA A 76 128.696 6.430 6.828 1.00 0.00 H new ATOM 0 HB1 ALA A 76 127.197 8.373 7.255 1.00 0.00 H new ATOM 0 HB2 ALA A 76 127.660 8.337 5.537 1.00 0.00 H new ATOM 0 HB3 ALA A 76 126.050 7.768 6.037 1.00 0.00 H new ATOM 1097 N THR A 77 125.645 5.266 7.218 1.00 0.00 N ATOM 1098 CA THR A 77 124.805 4.487 8.176 1.00 0.00 C ATOM 1099 C THR A 77 124.400 3.144 7.546 1.00 0.00 C ATOM 1100 O THR A 77 123.668 2.372 8.130 1.00 0.00 O ATOM 1101 CB THR A 77 123.562 5.344 8.444 1.00 0.00 C ATOM 1102 OG1 THR A 77 123.733 6.638 7.883 1.00 0.00 O ATOM 1103 CG2 THR A 77 123.336 5.462 9.953 1.00 0.00 C ATOM 0 H THR A 77 125.202 5.469 6.322 1.00 0.00 H new ATOM 0 HA THR A 77 125.343 4.269 9.098 1.00 0.00 H new ATOM 0 HB THR A 77 122.696 4.869 7.983 1.00 0.00 H new ATOM 0 HG1 THR A 77 122.934 7.178 8.057 1.00 0.00 H new ATOM 0 HG21 THR A 77 122.452 6.071 10.142 1.00 0.00 H new ATOM 0 HG22 THR A 77 123.190 4.469 10.378 1.00 0.00 H new ATOM 0 HG23 THR A 77 124.205 5.930 10.416 1.00 0.00 H new ATOM 1111 N LEU A 78 124.873 2.865 6.357 1.00 0.00 N ATOM 1112 CA LEU A 78 124.529 1.577 5.674 1.00 0.00 C ATOM 1113 C LEU A 78 123.013 1.388 5.573 1.00 0.00 C ATOM 1114 O LEU A 78 122.530 0.277 5.479 1.00 0.00 O ATOM 1115 CB LEU A 78 125.137 0.470 6.545 1.00 0.00 C ATOM 1116 CG LEU A 78 126.334 -0.182 5.840 1.00 0.00 C ATOM 1117 CD1 LEU A 78 126.726 -1.452 6.595 1.00 0.00 C ATOM 1118 CD2 LEU A 78 125.964 -0.556 4.402 1.00 0.00 C ATOM 0 H LEU A 78 125.489 3.480 5.824 1.00 0.00 H new ATOM 0 HA LEU A 78 124.916 1.561 4.655 1.00 0.00 H new ATOM 0 HB2 LEU A 78 125.455 0.886 7.501 1.00 0.00 H new ATOM 0 HB3 LEU A 78 124.381 -0.285 6.762 1.00 0.00 H new ATOM 0 HG LEU A 78 127.165 0.524 5.825 1.00 0.00 H new ATOM 0 HD11 LEU A 78 127.576 -1.922 6.100 1.00 0.00 H new ATOM 0 HD12 LEU A 78 126.998 -1.197 7.619 1.00 0.00 H new ATOM 0 HD13 LEU A 78 125.884 -2.144 6.604 1.00 0.00 H new ATOM 0 HD21 LEU A 78 126.822 -1.017 3.914 1.00 0.00 H new ATOM 0 HD22 LEU A 78 125.131 -1.259 4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 78 125.675 0.342 3.855 1.00 0.00 H new ATOM 1130 N THR A 79 122.259 2.456 5.582 1.00 0.00 N ATOM 1131 CA THR A 79 120.774 2.315 5.476 1.00 0.00 C ATOM 1132 C THR A 79 120.409 1.589 4.175 1.00 0.00 C ATOM 1133 O THR A 79 120.185 2.206 3.152 1.00 0.00 O ATOM 1134 CB THR A 79 120.223 3.747 5.457 1.00 0.00 C ATOM 1135 OG1 THR A 79 121.167 4.637 6.045 1.00 0.00 O ATOM 1136 CG2 THR A 79 118.911 3.800 6.242 1.00 0.00 C ATOM 0 H THR A 79 122.602 3.413 5.658 1.00 0.00 H new ATOM 0 HA THR A 79 120.360 1.736 6.301 1.00 0.00 H new ATOM 0 HB THR A 79 120.042 4.048 4.425 1.00 0.00 H new ATOM 0 HG1 THR A 79 120.810 5.550 6.028 1.00 0.00 H new ATOM 0 HG21 THR A 79 118.520 4.817 6.228 1.00 0.00 H new ATOM 0 HG22 THR A 79 118.186 3.126 5.785 1.00 0.00 H new ATOM 0 HG23 THR A 79 119.091 3.494 7.273 1.00 0.00 H new ATOM 1144 N ARG A 80 120.348 0.281 4.205 1.00 0.00 N ATOM 1145 CA ARG A 80 119.998 -0.477 2.965 1.00 0.00 C ATOM 1146 C ARG A 80 118.521 -0.259 2.613 1.00 0.00 C ATOM 1147 O ARG A 80 117.757 0.227 3.424 1.00 0.00 O ATOM 1148 CB ARG A 80 120.265 -1.946 3.301 1.00 0.00 C ATOM 1149 CG ARG A 80 121.574 -2.397 2.630 1.00 0.00 C ATOM 1150 CD ARG A 80 121.297 -3.579 1.697 1.00 0.00 C ATOM 1151 NE ARG A 80 122.516 -4.437 1.773 1.00 0.00 N ATOM 1152 CZ ARG A 80 123.644 -4.060 1.211 1.00 0.00 C ATOM 1153 NH1 ARG A 80 123.676 -3.052 0.373 1.00 0.00 N ATOM 1154 NH2 ARG A 80 124.745 -4.706 1.484 1.00 0.00 N ATOM 0 H ARG A 80 120.524 -0.292 5.030 1.00 0.00 H new ATOM 0 HA ARG A 80 120.581 -0.150 2.104 1.00 0.00 H new ATOM 0 HB2 ARG A 80 120.334 -2.076 4.381 1.00 0.00 H new ATOM 0 HB3 ARG A 80 119.436 -2.565 2.958 1.00 0.00 H new ATOM 0 HG2 ARG A 80 122.008 -1.571 2.067 1.00 0.00 H new ATOM 0 HG3 ARG A 80 122.303 -2.683 3.389 1.00 0.00 H new ATOM 0 HD2 ARG A 80 120.410 -4.128 2.011 1.00 0.00 H new ATOM 0 HD3 ARG A 80 121.118 -3.241 0.677 1.00 0.00 H new ATOM 0 HE ARG A 80 122.474 -5.328 2.268 1.00 0.00 H new ATOM 0 HH11 ARG A 80 122.818 -2.548 0.149 1.00 0.00 H new ATOM 0 HH12 ARG A 80 124.559 -2.772 -0.054 1.00 0.00 H new ATOM 0 HH21 ARG A 80 124.726 -5.496 2.129 1.00 0.00 H new ATOM 0 HH22 ARG A 80 125.624 -4.420 1.053 1.00 0.00 H new ATOM 1168 N PRO A 81 118.165 -0.628 1.408 1.00 0.00 N ATOM 1169 CA PRO A 81 116.762 -0.470 0.949 1.00 0.00 C ATOM 1170 C PRO A 81 115.847 -1.477 1.651 1.00 0.00 C ATOM 1171 O PRO A 81 114.639 -1.397 1.551 1.00 0.00 O ATOM 1172 CB PRO A 81 116.839 -0.747 -0.549 1.00 0.00 C ATOM 1173 CG PRO A 81 118.052 -1.599 -0.719 1.00 0.00 C ATOM 1174 CD PRO A 81 119.017 -1.219 0.372 1.00 0.00 C ATOM 0 HA PRO A 81 116.348 0.513 1.172 1.00 0.00 H new ATOM 0 HB2 PRO A 81 115.944 -1.259 -0.903 1.00 0.00 H new ATOM 0 HB3 PRO A 81 116.923 0.179 -1.118 1.00 0.00 H new ATOM 0 HG2 PRO A 81 117.793 -2.656 -0.653 1.00 0.00 H new ATOM 0 HG3 PRO A 81 118.499 -1.441 -1.701 1.00 0.00 H new ATOM 0 HD2 PRO A 81 119.558 -2.088 0.747 1.00 0.00 H new ATOM 0 HD3 PRO A 81 119.763 -0.509 0.016 1.00 0.00 H new ATOM 1182 N VAL A 82 116.405 -2.414 2.375 1.00 0.00 N ATOM 1183 CA VAL A 82 115.543 -3.399 3.092 1.00 0.00 C ATOM 1184 C VAL A 82 114.900 -2.703 4.289 1.00 0.00 C ATOM 1185 O VAL A 82 113.801 -3.026 4.696 1.00 0.00 O ATOM 1186 CB VAL A 82 116.467 -4.526 3.573 1.00 0.00 C ATOM 1187 CG1 VAL A 82 115.620 -5.750 3.938 1.00 0.00 C ATOM 1188 CG2 VAL A 82 117.454 -4.910 2.467 1.00 0.00 C ATOM 0 H VAL A 82 117.410 -2.538 2.499 1.00 0.00 H new ATOM 0 HA VAL A 82 114.755 -3.795 2.451 1.00 0.00 H new ATOM 0 HB VAL A 82 117.024 -4.182 4.444 1.00 0.00 H new ATOM 0 HG11 VAL A 82 116.271 -6.554 4.280 1.00 0.00 H new ATOM 0 HG12 VAL A 82 114.922 -5.486 4.732 1.00 0.00 H new ATOM 0 HG13 VAL A 82 115.064 -6.082 3.061 1.00 0.00 H new ATOM 0 HG21 VAL A 82 118.104 -5.710 2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 82 116.903 -5.251 1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 82 118.058 -4.043 2.202 1.00 0.00 H new ATOM 1198 N HIS A 83 115.583 -1.736 4.846 1.00 0.00 N ATOM 1199 CA HIS A 83 115.023 -0.998 6.012 1.00 0.00 C ATOM 1200 C HIS A 83 113.833 -0.166 5.548 1.00 0.00 C ATOM 1201 O HIS A 83 112.800 -0.129 6.182 1.00 0.00 O ATOM 1202 CB HIS A 83 116.147 -0.083 6.500 1.00 0.00 C ATOM 1203 CG HIS A 83 117.311 -0.920 6.938 1.00 0.00 C ATOM 1204 ND1 HIS A 83 118.005 -1.740 6.046 1.00 0.00 N ATOM 1205 CD2 HIS A 83 117.908 -1.101 8.164 1.00 0.00 C ATOM 1206 CE1 HIS A 83 118.966 -2.372 6.741 1.00 0.00 C ATOM 1207 NE2 HIS A 83 118.933 -2.010 8.013 1.00 0.00 N ATOM 0 H HIS A 83 116.506 -1.427 4.541 1.00 0.00 H new ATOM 0 HA HIS A 83 114.683 -1.666 6.803 1.00 0.00 H new ATOM 0 HB2 HIS A 83 116.451 0.595 5.703 1.00 0.00 H new ATOM 0 HB3 HIS A 83 115.796 0.534 7.327 1.00 0.00 H new ATOM 0 HD2 HIS A 83 117.623 -0.615 9.085 1.00 0.00 H new ATOM 0 HE1 HIS A 83 119.667 -3.077 6.320 1.00 0.00 H new ATOM 0 HE2 HIS A 83 119.555 -2.344 8.750 1.00 0.00 H new ATOM 1215 N ASP A 84 113.983 0.492 4.430 1.00 0.00 N ATOM 1216 CA ASP A 84 112.875 1.326 3.882 1.00 0.00 C ATOM 1217 C ASP A 84 111.567 0.529 3.871 1.00 0.00 C ATOM 1218 O ASP A 84 110.544 0.986 4.344 1.00 0.00 O ATOM 1219 CB ASP A 84 113.311 1.653 2.456 1.00 0.00 C ATOM 1220 CG ASP A 84 113.705 3.129 2.367 1.00 0.00 C ATOM 1221 OD1 ASP A 84 112.961 3.949 2.878 1.00 0.00 O ATOM 1222 OD2 ASP A 84 114.744 3.413 1.793 1.00 0.00 O ATOM 0 H ASP A 84 114.834 0.487 3.868 1.00 0.00 H new ATOM 0 HA ASP A 84 112.694 2.222 4.476 1.00 0.00 H new ATOM 0 HB2 ASP A 84 114.153 1.023 2.169 1.00 0.00 H new ATOM 0 HB3 ASP A 84 112.501 1.440 1.759 1.00 0.00 H new ATOM 1227 N ALA A 85 111.597 -0.663 3.339 1.00 0.00 N ATOM 1228 CA ALA A 85 110.359 -1.497 3.304 1.00 0.00 C ATOM 1229 C ALA A 85 109.830 -1.702 4.732 1.00 0.00 C ATOM 1230 O ALA A 85 108.796 -1.175 5.094 1.00 0.00 O ATOM 1231 CB ALA A 85 110.796 -2.819 2.673 1.00 0.00 C ATOM 0 H ALA A 85 112.424 -1.096 2.927 1.00 0.00 H new ATOM 0 HA ALA A 85 109.550 -1.036 2.737 1.00 0.00 H new ATOM 0 HB1 ALA A 85 109.941 -3.492 2.610 1.00 0.00 H new ATOM 0 HB2 ALA A 85 111.186 -2.633 1.672 1.00 0.00 H new ATOM 0 HB3 ALA A 85 111.573 -3.276 3.286 1.00 0.00 H new ATOM 1237 N ALA A 86 110.536 -2.449 5.552 1.00 0.00 N ATOM 1238 CA ALA A 86 110.079 -2.668 6.957 1.00 0.00 C ATOM 1239 C ALA A 86 109.770 -1.328 7.632 1.00 0.00 C ATOM 1240 O ALA A 86 108.818 -1.214 8.370 1.00 0.00 O ATOM 1241 CB ALA A 86 111.250 -3.363 7.656 1.00 0.00 C ATOM 0 H ALA A 86 111.409 -2.915 5.305 1.00 0.00 H new ATOM 0 HA ALA A 86 109.167 -3.263 7.003 1.00 0.00 H new ATOM 0 HB1 ALA A 86 110.989 -3.558 8.696 1.00 0.00 H new ATOM 0 HB2 ALA A 86 111.466 -4.306 7.154 1.00 0.00 H new ATOM 0 HB3 ALA A 86 112.130 -2.721 7.617 1.00 0.00 H new ATOM 1247 N ARG A 87 110.566 -0.314 7.383 1.00 0.00 N ATOM 1248 CA ARG A 87 110.314 1.022 8.013 1.00 0.00 C ATOM 1249 C ARG A 87 108.822 1.383 7.949 1.00 0.00 C ATOM 1250 O ARG A 87 108.215 1.714 8.948 1.00 0.00 O ATOM 1251 CB ARG A 87 111.139 2.014 7.193 1.00 0.00 C ATOM 1252 CG ARG A 87 112.405 2.382 7.964 1.00 0.00 C ATOM 1253 CD ARG A 87 112.046 3.313 9.127 1.00 0.00 C ATOM 1254 NE ARG A 87 112.807 4.567 8.859 1.00 0.00 N ATOM 1255 CZ ARG A 87 113.276 5.284 9.846 1.00 0.00 C ATOM 1256 NH1 ARG A 87 112.732 5.220 11.031 1.00 0.00 N ATOM 1257 NH2 ARG A 87 114.291 6.081 9.645 1.00 0.00 N ATOM 0 H ARG A 87 111.380 -0.354 6.770 1.00 0.00 H new ATOM 0 HA ARG A 87 110.592 1.030 9.067 1.00 0.00 H new ATOM 0 HB2 ARG A 87 111.401 1.577 6.230 1.00 0.00 H new ATOM 0 HB3 ARG A 87 110.552 2.909 6.988 1.00 0.00 H new ATOM 0 HG2 ARG A 87 112.888 1.481 8.342 1.00 0.00 H new ATOM 0 HG3 ARG A 87 113.118 2.871 7.300 1.00 0.00 H new ATOM 0 HD2 ARG A 87 110.973 3.502 9.166 1.00 0.00 H new ATOM 0 HD3 ARG A 87 112.328 2.876 10.085 1.00 0.00 H new ATOM 0 HE ARG A 87 112.963 4.868 7.897 1.00 0.00 H new ATOM 0 HH11 ARG A 87 111.934 4.606 11.193 1.00 0.00 H new ATOM 0 HH12 ARG A 87 113.105 5.784 11.795 1.00 0.00 H new ATOM 0 HH21 ARG A 87 114.716 6.143 8.720 1.00 0.00 H new ATOM 0 HH22 ARG A 87 114.659 6.642 10.413 1.00 0.00 H new ATOM 1271 N GLU A 88 108.224 1.311 6.787 1.00 0.00 N ATOM 1272 CA GLU A 88 106.769 1.634 6.676 1.00 0.00 C ATOM 1273 C GLU A 88 105.945 0.343 6.738 1.00 0.00 C ATOM 1274 O GLU A 88 104.797 0.308 6.338 1.00 0.00 O ATOM 1275 CB GLU A 88 106.611 2.311 5.310 1.00 0.00 C ATOM 1276 CG GLU A 88 105.855 3.636 5.470 1.00 0.00 C ATOM 1277 CD GLU A 88 104.458 3.369 6.037 1.00 0.00 C ATOM 1278 OE1 GLU A 88 104.373 2.952 7.179 1.00 0.00 O ATOM 1279 OE2 GLU A 88 103.496 3.589 5.319 1.00 0.00 O ATOM 0 H GLU A 88 108.678 1.044 5.914 1.00 0.00 H new ATOM 0 HA GLU A 88 106.422 2.277 7.485 1.00 0.00 H new ATOM 0 HB2 GLU A 88 107.591 2.492 4.868 1.00 0.00 H new ATOM 0 HB3 GLU A 88 106.071 1.654 4.629 1.00 0.00 H new ATOM 0 HG2 GLU A 88 106.406 4.302 6.134 1.00 0.00 H new ATOM 0 HG3 GLU A 88 105.777 4.140 4.506 1.00 0.00 H new ATOM 1286 N GLY A 89 106.527 -0.718 7.236 1.00 0.00 N ATOM 1287 CA GLY A 89 105.793 -2.015 7.331 1.00 0.00 C ATOM 1288 C GLY A 89 105.239 -2.402 5.958 1.00 0.00 C ATOM 1289 O GLY A 89 104.064 -2.674 5.810 1.00 0.00 O ATOM 0 H GLY A 89 107.486 -0.741 7.583 1.00 0.00 H new ATOM 0 HA2 GLY A 89 106.461 -2.795 7.696 1.00 0.00 H new ATOM 0 HA3 GLY A 89 104.979 -1.930 8.051 1.00 0.00 H new ATOM 1293 N PHE A 90 106.074 -2.428 4.950 1.00 0.00 N ATOM 1294 CA PHE A 90 105.587 -2.794 3.588 1.00 0.00 C ATOM 1295 C PHE A 90 106.265 -4.076 3.100 1.00 0.00 C ATOM 1296 O PHE A 90 107.246 -4.030 2.385 1.00 0.00 O ATOM 1297 CB PHE A 90 105.988 -1.617 2.702 1.00 0.00 C ATOM 1298 CG PHE A 90 104.898 -1.347 1.692 1.00 0.00 C ATOM 1299 CD1 PHE A 90 104.690 -2.239 0.633 1.00 0.00 C ATOM 1300 CD2 PHE A 90 104.098 -0.208 1.816 1.00 0.00 C ATOM 1301 CE1 PHE A 90 103.680 -1.988 -0.303 1.00 0.00 C ATOM 1302 CE2 PHE A 90 103.090 0.042 0.881 1.00 0.00 C ATOM 1303 CZ PHE A 90 102.881 -0.849 -0.178 1.00 0.00 C ATOM 0 H PHE A 90 107.069 -2.212 5.012 1.00 0.00 H new ATOM 0 HA PHE A 90 104.513 -2.980 3.574 1.00 0.00 H new ATOM 0 HB2 PHE A 90 106.159 -0.731 3.313 1.00 0.00 H new ATOM 0 HB3 PHE A 90 106.925 -1.837 2.190 1.00 0.00 H new ATOM 0 HD1 PHE A 90 105.308 -3.120 0.538 1.00 0.00 H new ATOM 0 HD2 PHE A 90 104.259 0.479 2.634 1.00 0.00 H new ATOM 0 HE1 PHE A 90 103.519 -2.674 -1.121 1.00 0.00 H new ATOM 0 HE2 PHE A 90 102.472 0.923 0.976 1.00 0.00 H new ATOM 0 HZ PHE A 90 102.101 -0.656 -0.899 1.00 0.00 H new ATOM 1313 N LEU A 91 105.749 -5.217 3.473 1.00 0.00 N ATOM 1314 CA LEU A 91 106.365 -6.505 3.026 1.00 0.00 C ATOM 1315 C LEU A 91 106.453 -6.563 1.497 1.00 0.00 C ATOM 1316 O LEU A 91 107.454 -6.972 0.943 1.00 0.00 O ATOM 1317 CB LEU A 91 105.440 -7.604 3.550 1.00 0.00 C ATOM 1318 CG LEU A 91 106.206 -8.474 4.553 1.00 0.00 C ATOM 1319 CD1 LEU A 91 105.279 -9.554 5.097 1.00 0.00 C ATOM 1320 CD2 LEU A 91 107.407 -9.138 3.866 1.00 0.00 C ATOM 0 H LEU A 91 104.927 -5.315 4.069 1.00 0.00 H new ATOM 0 HA LEU A 91 107.382 -6.616 3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 91 104.565 -7.162 4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 91 105.077 -8.215 2.723 1.00 0.00 H new ATOM 0 HG LEU A 91 106.563 -7.845 5.369 1.00 0.00 H new ATOM 0 HD11 LEU A 91 105.822 -10.174 5.811 1.00 0.00 H new ATOM 0 HD12 LEU A 91 104.429 -9.087 5.595 1.00 0.00 H new ATOM 0 HD13 LEU A 91 104.922 -10.175 4.275 1.00 0.00 H new ATOM 0 HD21 LEU A 91 107.944 -9.754 4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 91 107.057 -9.763 3.045 1.00 0.00 H new ATOM 0 HD23 LEU A 91 108.075 -8.369 3.477 1.00 0.00 H new ATOM 1332 N ASP A 92 105.409 -6.165 0.816 1.00 0.00 N ATOM 1333 CA ASP A 92 105.416 -6.197 -0.678 1.00 0.00 C ATOM 1334 C ASP A 92 106.724 -5.617 -1.236 1.00 0.00 C ATOM 1335 O ASP A 92 107.236 -6.073 -2.238 1.00 0.00 O ATOM 1336 CB ASP A 92 104.225 -5.332 -1.093 1.00 0.00 C ATOM 1337 CG ASP A 92 102.925 -6.011 -0.655 1.00 0.00 C ATOM 1338 OD1 ASP A 92 102.642 -7.084 -1.160 1.00 0.00 O ATOM 1339 OD2 ASP A 92 102.235 -5.444 0.178 1.00 0.00 O ATOM 0 H ASP A 92 104.546 -5.817 1.234 1.00 0.00 H new ATOM 0 HA ASP A 92 105.344 -7.214 -1.063 1.00 0.00 H new ATOM 0 HB2 ASP A 92 104.303 -4.344 -0.639 1.00 0.00 H new ATOM 0 HB3 ASP A 92 104.226 -5.187 -2.173 1.00 0.00 H new ATOM 1344 N THR A 93 107.265 -4.615 -0.594 1.00 0.00 N ATOM 1345 CA THR A 93 108.539 -4.003 -1.084 1.00 0.00 C ATOM 1346 C THR A 93 109.716 -4.951 -0.833 1.00 0.00 C ATOM 1347 O THR A 93 110.617 -5.066 -1.642 1.00 0.00 O ATOM 1348 CB THR A 93 108.698 -2.716 -0.267 1.00 0.00 C ATOM 1349 OG1 THR A 93 107.695 -1.782 -0.648 1.00 0.00 O ATOM 1350 CG2 THR A 93 110.081 -2.112 -0.520 1.00 0.00 C ATOM 0 H THR A 93 106.880 -4.192 0.251 1.00 0.00 H new ATOM 0 HA THR A 93 108.518 -3.806 -2.156 1.00 0.00 H new ATOM 0 HB THR A 93 108.594 -2.948 0.793 1.00 0.00 H new ATOM 0 HG1 THR A 93 106.849 -2.015 -0.212 1.00 0.00 H new ATOM 0 HG21 THR A 93 110.191 -1.197 0.062 1.00 0.00 H new ATOM 0 HG22 THR A 93 110.850 -2.826 -0.223 1.00 0.00 H new ATOM 0 HG23 THR A 93 110.189 -1.882 -1.580 1.00 0.00 H new ATOM 1358 N LEU A 94 109.716 -5.623 0.286 1.00 0.00 N ATOM 1359 CA LEU A 94 110.837 -6.561 0.595 1.00 0.00 C ATOM 1360 C LEU A 94 110.874 -7.692 -0.435 1.00 0.00 C ATOM 1361 O LEU A 94 111.854 -7.880 -1.128 1.00 0.00 O ATOM 1362 CB LEU A 94 110.521 -7.118 1.985 1.00 0.00 C ATOM 1363 CG LEU A 94 110.874 -6.083 3.059 1.00 0.00 C ATOM 1364 CD1 LEU A 94 109.603 -5.412 3.578 1.00 0.00 C ATOM 1365 CD2 LEU A 94 111.570 -6.784 4.220 1.00 0.00 C ATOM 0 H LEU A 94 108.990 -5.564 1.000 1.00 0.00 H new ATOM 0 HA LEU A 94 111.808 -6.066 0.566 1.00 0.00 H new ATOM 0 HB2 LEU A 94 109.464 -7.376 2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 94 111.084 -8.036 2.154 1.00 0.00 H new ATOM 0 HG LEU A 94 111.530 -5.329 2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 94 109.864 -4.678 4.341 1.00 0.00 H new ATOM 0 HD12 LEU A 94 109.093 -4.913 2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 94 108.944 -6.165 4.010 1.00 0.00 H new ATOM 0 HD21 LEU A 94 111.824 -6.053 4.987 1.00 0.00 H new ATOM 0 HD22 LEU A 94 110.904 -7.537 4.642 1.00 0.00 H new ATOM 0 HD23 LEU A 94 112.480 -7.265 3.862 1.00 0.00 H new ATOM 1377 N VAL A 95 109.807 -8.445 -0.537 1.00 0.00 N ATOM 1378 CA VAL A 95 109.762 -9.574 -1.523 1.00 0.00 C ATOM 1379 C VAL A 95 110.284 -9.111 -2.885 1.00 0.00 C ATOM 1380 O VAL A 95 111.135 -9.740 -3.480 1.00 0.00 O ATOM 1381 CB VAL A 95 108.282 -9.957 -1.628 1.00 0.00 C ATOM 1382 CG1 VAL A 95 108.123 -11.148 -2.576 1.00 0.00 C ATOM 1383 CG2 VAL A 95 107.743 -10.337 -0.245 1.00 0.00 C ATOM 0 H VAL A 95 108.961 -8.328 0.021 1.00 0.00 H new ATOM 0 HA VAL A 95 110.382 -10.414 -1.209 1.00 0.00 H new ATOM 0 HB VAL A 95 107.722 -9.105 -2.014 1.00 0.00 H new ATOM 0 HG11 VAL A 95 107.069 -11.417 -2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 95 108.497 -10.879 -3.564 1.00 0.00 H new ATOM 0 HG13 VAL A 95 108.689 -11.997 -2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 95 106.690 -10.608 -0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 95 108.307 -11.184 0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 95 107.848 -9.489 0.432 1.00 0.00 H new ATOM 1393 N VAL A 96 109.783 -8.004 -3.373 1.00 0.00 N ATOM 1394 CA VAL A 96 110.247 -7.474 -4.692 1.00 0.00 C ATOM 1395 C VAL A 96 111.779 -7.416 -4.716 1.00 0.00 C ATOM 1396 O VAL A 96 112.416 -7.946 -5.608 1.00 0.00 O ATOM 1397 CB VAL A 96 109.639 -6.064 -4.778 1.00 0.00 C ATOM 1398 CG1 VAL A 96 110.342 -5.239 -5.862 1.00 0.00 C ATOM 1399 CG2 VAL A 96 108.145 -6.167 -5.107 1.00 0.00 C ATOM 0 H VAL A 96 109.068 -7.441 -2.912 1.00 0.00 H new ATOM 0 HA VAL A 96 109.942 -8.097 -5.533 1.00 0.00 H new ATOM 0 HB VAL A 96 109.773 -5.569 -3.816 1.00 0.00 H new ATOM 0 HG11 VAL A 96 109.898 -4.245 -5.908 1.00 0.00 H new ATOM 0 HG12 VAL A 96 111.402 -5.152 -5.623 1.00 0.00 H new ATOM 0 HG13 VAL A 96 110.227 -5.733 -6.827 1.00 0.00 H new ATOM 0 HG21 VAL A 96 107.716 -5.167 -5.167 1.00 0.00 H new ATOM 0 HG22 VAL A 96 108.017 -6.675 -6.063 1.00 0.00 H new ATOM 0 HG23 VAL A 96 107.638 -6.732 -4.325 1.00 0.00 H new ATOM 1409 N LEU A 97 112.374 -6.783 -3.738 1.00 0.00 N ATOM 1410 CA LEU A 97 113.862 -6.699 -3.700 1.00 0.00 C ATOM 1411 C LEU A 97 114.464 -8.098 -3.830 1.00 0.00 C ATOM 1412 O LEU A 97 115.113 -8.416 -4.807 1.00 0.00 O ATOM 1413 CB LEU A 97 114.206 -6.102 -2.331 1.00 0.00 C ATOM 1414 CG LEU A 97 113.890 -4.603 -2.317 1.00 0.00 C ATOM 1415 CD1 LEU A 97 114.055 -4.062 -0.894 1.00 0.00 C ATOM 1416 CD2 LEU A 97 114.851 -3.865 -3.257 1.00 0.00 C ATOM 0 H LEU A 97 111.893 -6.322 -2.966 1.00 0.00 H new ATOM 0 HA LEU A 97 114.257 -6.093 -4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 97 113.638 -6.609 -1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 97 115.262 -6.261 -2.111 1.00 0.00 H new ATOM 0 HG LEU A 97 112.865 -4.446 -2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 97 113.831 -2.995 -0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 97 113.371 -4.584 -0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 97 115.081 -4.221 -0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 97 114.624 -2.799 -3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 97 115.877 -4.021 -2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 97 114.736 -4.249 -4.270 1.00 0.00 H new ATOM 1428 N HIS A 98 114.248 -8.940 -2.852 1.00 0.00 N ATOM 1429 CA HIS A 98 114.803 -10.320 -2.917 1.00 0.00 C ATOM 1430 C HIS A 98 114.335 -11.011 -4.201 1.00 0.00 C ATOM 1431 O HIS A 98 114.997 -11.885 -4.722 1.00 0.00 O ATOM 1432 CB HIS A 98 114.247 -11.025 -1.679 1.00 0.00 C ATOM 1433 CG HIS A 98 115.155 -12.160 -1.290 1.00 0.00 C ATOM 1434 ND1 HIS A 98 114.978 -12.879 -0.117 1.00 0.00 N ATOM 1435 CD2 HIS A 98 116.260 -12.704 -1.900 1.00 0.00 C ATOM 1436 CE1 HIS A 98 115.954 -13.805 -0.058 1.00 0.00 C ATOM 1437 NE2 HIS A 98 116.762 -13.742 -1.120 1.00 0.00 N ATOM 0 H HIS A 98 113.710 -8.729 -2.011 1.00 0.00 H new ATOM 0 HA HIS A 98 115.893 -10.335 -2.932 1.00 0.00 H new ATOM 0 HB2 HIS A 98 114.160 -10.318 -0.854 1.00 0.00 H new ATOM 0 HB3 HIS A 98 113.245 -11.402 -1.883 1.00 0.00 H new ATOM 0 HD2 HIS A 98 116.676 -12.376 -2.841 1.00 0.00 H new ATOM 0 HE1 HIS A 98 116.069 -14.513 0.750 1.00 0.00 H new ATOM 0 HE2 HIS A 98 117.573 -14.329 -1.317 1.00 0.00 H new ATOM 1445 N ARG A 99 113.204 -10.611 -4.723 1.00 0.00 N ATOM 1446 CA ARG A 99 112.703 -11.233 -5.984 1.00 0.00 C ATOM 1447 C ARG A 99 113.576 -10.800 -7.163 1.00 0.00 C ATOM 1448 O ARG A 99 113.500 -11.360 -8.239 1.00 0.00 O ATOM 1449 CB ARG A 99 111.274 -10.714 -6.155 1.00 0.00 C ATOM 1450 CG ARG A 99 110.295 -11.694 -5.506 1.00 0.00 C ATOM 1451 CD ARG A 99 108.934 -11.599 -6.197 1.00 0.00 C ATOM 1452 NE ARG A 99 108.867 -12.804 -7.072 1.00 0.00 N ATOM 1453 CZ ARG A 99 108.445 -12.700 -8.303 1.00 0.00 C ATOM 1454 NH1 ARG A 99 107.165 -12.666 -8.554 1.00 0.00 N ATOM 1455 NH2 ARG A 99 109.303 -12.635 -9.287 1.00 0.00 N ATOM 0 H ARG A 99 112.607 -9.882 -4.331 1.00 0.00 H new ATOM 0 HA ARG A 99 112.732 -12.322 -5.944 1.00 0.00 H new ATOM 0 HB2 ARG A 99 111.176 -9.729 -5.698 1.00 0.00 H new ATOM 0 HB3 ARG A 99 111.042 -10.599 -7.214 1.00 0.00 H new ATOM 0 HG2 ARG A 99 110.681 -12.711 -5.580 1.00 0.00 H new ATOM 0 HG3 ARG A 99 110.191 -11.469 -4.445 1.00 0.00 H new ATOM 0 HD2 ARG A 99 108.121 -11.592 -5.471 1.00 0.00 H new ATOM 0 HD3 ARG A 99 108.849 -10.682 -6.780 1.00 0.00 H new ATOM 0 HE ARG A 99 109.152 -13.713 -6.708 1.00 0.00 H new ATOM 0 HH11 ARG A 99 106.493 -12.721 -7.788 1.00 0.00 H new ATOM 0 HH12 ARG A 99 106.836 -12.585 -9.516 1.00 0.00 H new ATOM 0 HH21 ARG A 99 110.304 -12.666 -9.094 1.00 0.00 H new ATOM 0 HH22 ARG A 99 108.971 -12.554 -10.248 1.00 0.00 H new ATOM 1469 N ALA A 100 114.402 -9.804 -6.975 1.00 0.00 N ATOM 1470 CA ALA A 100 115.267 -9.339 -8.090 1.00 0.00 C ATOM 1471 C ALA A 100 116.608 -8.809 -7.562 1.00 0.00 C ATOM 1472 O ALA A 100 116.828 -7.617 -7.480 1.00 0.00 O ATOM 1473 CB ALA A 100 114.464 -8.225 -8.758 1.00 0.00 C ATOM 0 H ALA A 100 114.512 -9.296 -6.098 1.00 0.00 H new ATOM 0 HA ALA A 100 115.515 -10.143 -8.783 1.00 0.00 H new ATOM 0 HB1 ALA A 100 115.030 -7.821 -9.597 1.00 0.00 H new ATOM 0 HB2 ALA A 100 113.517 -8.625 -9.119 1.00 0.00 H new ATOM 0 HB3 ALA A 100 114.271 -7.432 -8.035 1.00 0.00 H new ATOM 1479 N GLY A 101 117.511 -9.696 -7.221 1.00 0.00 N ATOM 1480 CA GLY A 101 118.848 -9.270 -6.713 1.00 0.00 C ATOM 1481 C GLY A 101 118.691 -8.274 -5.561 1.00 0.00 C ATOM 1482 O GLY A 101 118.441 -7.103 -5.770 1.00 0.00 O ATOM 0 H GLY A 101 117.375 -10.706 -7.274 1.00 0.00 H new ATOM 0 HA2 GLY A 101 119.409 -10.141 -6.375 1.00 0.00 H new ATOM 0 HA3 GLY A 101 119.422 -8.814 -7.520 1.00 0.00 H new ATOM 1486 N ALA A 102 118.843 -8.726 -4.344 1.00 0.00 N ATOM 1487 CA ALA A 102 118.704 -7.798 -3.185 1.00 0.00 C ATOM 1488 C ALA A 102 119.317 -8.409 -1.926 1.00 0.00 C ATOM 1489 O ALA A 102 118.948 -9.487 -1.500 1.00 0.00 O ATOM 1490 CB ALA A 102 117.200 -7.626 -3.006 1.00 0.00 C ATOM 0 H ALA A 102 119.057 -9.694 -4.104 1.00 0.00 H new ATOM 0 HA ALA A 102 119.216 -6.851 -3.356 1.00 0.00 H new ATOM 0 HB1 ALA A 102 117.008 -6.954 -2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 102 116.771 -7.205 -3.915 1.00 0.00 H new ATOM 0 HB3 ALA A 102 116.744 -8.596 -2.805 1.00 0.00 H new ATOM 1496 N ARG A 103 120.248 -7.722 -1.320 1.00 0.00 N ATOM 1497 CA ARG A 103 120.883 -8.253 -0.081 1.00 0.00 C ATOM 1498 C ARG A 103 119.957 -8.032 1.121 1.00 0.00 C ATOM 1499 O ARG A 103 119.306 -7.013 1.233 1.00 0.00 O ATOM 1500 CB ARG A 103 122.174 -7.447 0.079 1.00 0.00 C ATOM 1501 CG ARG A 103 122.906 -7.896 1.344 1.00 0.00 C ATOM 1502 CD ARG A 103 124.409 -7.930 1.075 1.00 0.00 C ATOM 1503 NE ARG A 103 124.681 -9.307 0.574 1.00 0.00 N ATOM 1504 CZ ARG A 103 125.819 -9.884 0.842 1.00 0.00 C ATOM 1505 NH1 ARG A 103 126.845 -9.695 0.057 1.00 0.00 N ATOM 1506 NH2 ARG A 103 125.935 -10.640 1.899 1.00 0.00 N ATOM 0 H ARG A 103 120.596 -6.815 -1.631 1.00 0.00 H new ATOM 0 HA ARG A 103 121.077 -9.324 -0.140 1.00 0.00 H new ATOM 0 HB2 ARG A 103 122.813 -7.588 -0.793 1.00 0.00 H new ATOM 0 HB3 ARG A 103 121.945 -6.383 0.137 1.00 0.00 H new ATOM 0 HG2 ARG A 103 122.688 -7.214 2.165 1.00 0.00 H new ATOM 0 HG3 ARG A 103 122.557 -8.883 1.648 1.00 0.00 H new ATOM 0 HD2 ARG A 103 124.695 -7.179 0.339 1.00 0.00 H new ATOM 0 HD3 ARG A 103 124.977 -7.721 1.982 1.00 0.00 H new ATOM 0 HE ARG A 103 123.977 -9.798 0.022 1.00 0.00 H new ATOM 0 HH11 ARG A 103 126.755 -9.097 -0.764 1.00 0.00 H new ATOM 0 HH12 ARG A 103 127.736 -10.146 0.265 1.00 0.00 H new ATOM 0 HH21 ARG A 103 125.135 -10.780 2.516 1.00 0.00 H new ATOM 0 HH22 ARG A 103 126.826 -11.091 2.108 1.00 0.00 H new ATOM 1520 N LEU A 104 119.899 -8.978 2.021 1.00 0.00 N ATOM 1521 CA LEU A 104 119.021 -8.824 3.219 1.00 0.00 C ATOM 1522 C LEU A 104 119.832 -9.041 4.505 1.00 0.00 C ATOM 1523 O LEU A 104 119.279 -9.117 5.584 1.00 0.00 O ATOM 1524 CB LEU A 104 117.952 -9.915 3.075 1.00 0.00 C ATOM 1525 CG LEU A 104 116.713 -9.347 2.367 1.00 0.00 C ATOM 1526 CD1 LEU A 104 116.143 -10.393 1.405 1.00 0.00 C ATOM 1527 CD2 LEU A 104 115.645 -8.988 3.406 1.00 0.00 C ATOM 0 H LEU A 104 120.423 -9.852 1.978 1.00 0.00 H new ATOM 0 HA LEU A 104 118.584 -7.827 3.280 1.00 0.00 H new ATOM 0 HB2 LEU A 104 118.352 -10.755 2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 104 117.676 -10.297 4.058 1.00 0.00 H new ATOM 0 HG LEU A 104 116.999 -8.455 1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 104 115.264 -9.986 0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 104 116.897 -10.652 0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 104 115.862 -11.286 1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 104 114.767 -8.585 2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 104 115.365 -9.882 3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 104 116.043 -8.241 4.093 1.00 0.00 H new ATOM 1539 N ASP A 105 121.133 -9.153 4.403 1.00 0.00 N ATOM 1540 CA ASP A 105 121.960 -9.382 5.626 1.00 0.00 C ATOM 1541 C ASP A 105 122.905 -8.202 5.891 1.00 0.00 C ATOM 1542 O ASP A 105 124.084 -8.386 6.125 1.00 0.00 O ATOM 1543 CB ASP A 105 122.761 -10.653 5.329 1.00 0.00 C ATOM 1544 CG ASP A 105 121.800 -11.796 4.990 1.00 0.00 C ATOM 1545 OD1 ASP A 105 121.080 -12.221 5.879 1.00 0.00 O ATOM 1546 OD2 ASP A 105 121.797 -12.225 3.847 1.00 0.00 O ATOM 0 H ASP A 105 121.656 -9.096 3.529 1.00 0.00 H new ATOM 0 HA ASP A 105 121.339 -9.480 6.517 1.00 0.00 H new ATOM 0 HB2 ASP A 105 123.444 -10.479 4.497 1.00 0.00 H new ATOM 0 HB3 ASP A 105 123.371 -10.921 6.192 1.00 0.00 H new ATOM 1551 N VAL A 106 122.395 -7.000 5.880 1.00 0.00 N ATOM 1552 CA VAL A 106 123.265 -5.818 6.158 1.00 0.00 C ATOM 1553 C VAL A 106 122.853 -5.185 7.491 1.00 0.00 C ATOM 1554 O VAL A 106 121.849 -5.544 8.077 1.00 0.00 O ATOM 1555 CB VAL A 106 123.019 -4.840 5.003 1.00 0.00 C ATOM 1556 CG1 VAL A 106 121.530 -4.507 4.926 1.00 0.00 C ATOM 1557 CG2 VAL A 106 123.818 -3.555 5.240 1.00 0.00 C ATOM 0 H VAL A 106 121.416 -6.784 5.691 1.00 0.00 H new ATOM 0 HA VAL A 106 124.318 -6.088 6.230 1.00 0.00 H new ATOM 0 HB VAL A 106 123.338 -5.298 4.067 1.00 0.00 H new ATOM 0 HG11 VAL A 106 121.355 -3.812 4.105 1.00 0.00 H new ATOM 0 HG12 VAL A 106 120.961 -5.421 4.755 1.00 0.00 H new ATOM 0 HG13 VAL A 106 121.210 -4.050 5.863 1.00 0.00 H new ATOM 0 HG21 VAL A 106 123.642 -2.861 4.418 1.00 0.00 H new ATOM 0 HG22 VAL A 106 123.501 -3.097 6.177 1.00 0.00 H new ATOM 0 HG23 VAL A 106 124.881 -3.792 5.294 1.00 0.00 H new ATOM 1567 N ARG A 107 123.616 -4.244 7.967 1.00 0.00 N ATOM 1568 CA ARG A 107 123.273 -3.575 9.257 1.00 0.00 C ATOM 1569 C ARG A 107 123.354 -2.057 9.085 1.00 0.00 C ATOM 1570 O ARG A 107 124.199 -1.557 8.374 1.00 0.00 O ATOM 1571 CB ARG A 107 124.333 -4.055 10.247 1.00 0.00 C ATOM 1572 CG ARG A 107 123.844 -5.322 10.948 1.00 0.00 C ATOM 1573 CD ARG A 107 124.709 -5.584 12.181 1.00 0.00 C ATOM 1574 NE ARG A 107 126.048 -5.942 11.636 1.00 0.00 N ATOM 1575 CZ ARG A 107 127.110 -5.299 12.039 1.00 0.00 C ATOM 1576 NH1 ARG A 107 127.315 -5.114 13.314 1.00 0.00 N ATOM 1577 NH2 ARG A 107 127.966 -4.838 11.166 1.00 0.00 N ATOM 0 H ARG A 107 124.467 -3.906 7.518 1.00 0.00 H new ATOM 0 HA ARG A 107 122.265 -3.812 9.596 1.00 0.00 H new ATOM 0 HB2 ARG A 107 125.269 -4.254 9.725 1.00 0.00 H new ATOM 0 HB3 ARG A 107 124.538 -3.277 10.982 1.00 0.00 H new ATOM 0 HG2 ARG A 107 122.800 -5.210 11.240 1.00 0.00 H new ATOM 0 HG3 ARG A 107 123.895 -6.171 10.267 1.00 0.00 H new ATOM 0 HD2 ARG A 107 124.765 -4.703 12.820 1.00 0.00 H new ATOM 0 HD3 ARG A 107 124.300 -6.392 12.787 1.00 0.00 H new ATOM 0 HE ARG A 107 126.135 -6.690 10.948 1.00 0.00 H new ATOM 0 HH11 ARG A 107 126.646 -5.472 13.995 1.00 0.00 H new ATOM 0 HH12 ARG A 107 128.145 -4.612 13.630 1.00 0.00 H new ATOM 0 HH21 ARG A 107 127.804 -4.981 10.169 1.00 0.00 H new ATOM 0 HH22 ARG A 107 128.796 -4.336 11.482 1.00 0.00 H new ATOM 1591 N ASP A 108 122.483 -1.319 9.727 1.00 0.00 N ATOM 1592 CA ASP A 108 122.519 0.172 9.590 1.00 0.00 C ATOM 1593 C ASP A 108 123.780 0.735 10.261 1.00 0.00 C ATOM 1594 O ASP A 108 123.705 1.558 11.150 1.00 0.00 O ATOM 1595 CB ASP A 108 121.251 0.670 10.298 1.00 0.00 C ATOM 1596 CG ASP A 108 120.416 1.513 9.330 1.00 0.00 C ATOM 1597 OD1 ASP A 108 119.698 0.927 8.535 1.00 0.00 O ATOM 1598 OD2 ASP A 108 120.508 2.728 9.398 1.00 0.00 O ATOM 0 H ASP A 108 121.751 -1.681 10.338 1.00 0.00 H new ATOM 0 HA ASP A 108 122.549 0.492 8.549 1.00 0.00 H new ATOM 0 HB2 ASP A 108 120.666 -0.177 10.655 1.00 0.00 H new ATOM 0 HB3 ASP A 108 121.520 1.263 11.172 1.00 0.00 H new ATOM 1603 N ALA A 109 124.939 0.296 9.833 1.00 0.00 N ATOM 1604 CA ALA A 109 126.217 0.793 10.428 1.00 0.00 C ATOM 1605 C ALA A 109 126.182 0.689 11.954 1.00 0.00 C ATOM 1606 O ALA A 109 126.601 -0.296 12.529 1.00 0.00 O ATOM 1607 CB ALA A 109 126.326 2.252 9.989 1.00 0.00 C ATOM 0 H ALA A 109 125.054 -0.392 9.089 1.00 0.00 H new ATOM 0 HA ALA A 109 127.073 0.204 10.097 1.00 0.00 H new ATOM 0 HB1 ALA A 109 127.243 2.685 10.389 1.00 0.00 H new ATOM 0 HB2 ALA A 109 126.345 2.304 8.900 1.00 0.00 H new ATOM 0 HB3 ALA A 109 125.468 2.810 10.364 1.00 0.00 H new ATOM 1613 N TRP A 110 125.687 1.700 12.615 1.00 0.00 N ATOM 1614 CA TRP A 110 125.629 1.656 14.097 1.00 0.00 C ATOM 1615 C TRP A 110 124.174 1.594 14.583 1.00 0.00 C ATOM 1616 O TRP A 110 123.914 1.529 15.769 1.00 0.00 O ATOM 1617 CB TRP A 110 126.312 2.952 14.550 1.00 0.00 C ATOM 1618 CG TRP A 110 125.403 4.124 14.317 1.00 0.00 C ATOM 1619 CD1 TRP A 110 124.332 4.428 15.083 1.00 0.00 C ATOM 1620 CD2 TRP A 110 125.459 5.141 13.273 1.00 0.00 C ATOM 1621 NE1 TRP A 110 123.728 5.565 14.583 1.00 0.00 N ATOM 1622 CE2 TRP A 110 124.386 6.044 13.470 1.00 0.00 C ATOM 1623 CE3 TRP A 110 126.323 5.371 12.188 1.00 0.00 C ATOM 1624 CZ2 TRP A 110 124.177 7.133 12.623 1.00 0.00 C ATOM 1625 CZ3 TRP A 110 126.115 6.466 11.333 1.00 0.00 C ATOM 1626 CH2 TRP A 110 125.044 7.345 11.550 1.00 0.00 C ATOM 0 H TRP A 110 125.321 2.552 12.190 1.00 0.00 H new ATOM 0 HA TRP A 110 126.119 0.773 14.506 1.00 0.00 H new ATOM 0 HB2 TRP A 110 126.569 2.886 15.607 1.00 0.00 H new ATOM 0 HB3 TRP A 110 127.245 3.091 14.003 1.00 0.00 H new ATOM 0 HD1 TRP A 110 124.001 3.871 15.947 1.00 0.00 H new ATOM 0 HE1 TRP A 110 122.897 5.997 14.987 1.00 0.00 H new ATOM 0 HE3 TRP A 110 127.152 4.702 12.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 123.351 7.807 12.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 126.785 6.632 10.502 1.00 0.00 H new ATOM 0 HH2 TRP A 110 124.890 8.184 10.888 1.00 0.00 H new ATOM 1637 N GLY A 111 123.225 1.620 13.680 1.00 0.00 N ATOM 1638 CA GLY A 111 121.803 1.571 14.090 1.00 0.00 C ATOM 1639 C GLY A 111 121.429 0.135 14.449 1.00 0.00 C ATOM 1640 O GLY A 111 121.403 -0.240 15.605 1.00 0.00 O ATOM 0 H GLY A 111 123.383 1.673 12.674 1.00 0.00 H new ATOM 0 HA2 GLY A 111 121.637 2.227 14.945 1.00 0.00 H new ATOM 0 HA3 GLY A 111 121.167 1.933 13.282 1.00 0.00 H new ATOM 1644 N ARG A 112 121.153 -0.671 13.456 1.00 0.00 N ATOM 1645 CA ARG A 112 120.787 -2.106 13.706 1.00 0.00 C ATOM 1646 C ARG A 112 120.299 -2.758 12.408 1.00 0.00 C ATOM 1647 O ARG A 112 120.426 -2.203 11.336 1.00 0.00 O ATOM 1648 CB ARG A 112 119.661 -2.089 14.748 1.00 0.00 C ATOM 1649 CG ARG A 112 120.175 -2.694 16.062 1.00 0.00 C ATOM 1650 CD ARG A 112 119.376 -2.136 17.242 1.00 0.00 C ATOM 1651 NE ARG A 112 119.632 -3.087 18.366 1.00 0.00 N ATOM 1652 CZ ARG A 112 119.171 -2.832 19.560 1.00 0.00 C ATOM 1653 NH1 ARG A 112 117.946 -2.413 19.713 1.00 0.00 N ATOM 1654 NH2 ARG A 112 119.933 -3.009 20.606 1.00 0.00 N ATOM 0 H ARG A 112 121.165 -0.398 12.473 1.00 0.00 H new ATOM 0 HA ARG A 112 121.644 -2.679 14.060 1.00 0.00 H new ATOM 0 HB2 ARG A 112 119.319 -1.067 14.914 1.00 0.00 H new ATOM 0 HB3 ARG A 112 118.805 -2.656 14.384 1.00 0.00 H new ATOM 0 HG2 ARG A 112 120.085 -3.780 16.032 1.00 0.00 H new ATOM 0 HG3 ARG A 112 121.233 -2.465 16.188 1.00 0.00 H new ATOM 0 HD2 ARG A 112 119.701 -1.127 17.497 1.00 0.00 H new ATOM 0 HD3 ARG A 112 118.313 -2.079 17.007 1.00 0.00 H new ATOM 0 HE ARG A 112 120.169 -3.938 18.199 1.00 0.00 H new ATOM 0 HH11 ARG A 112 117.346 -2.284 18.899 1.00 0.00 H new ATOM 0 HH12 ARG A 112 117.588 -2.214 20.647 1.00 0.00 H new ATOM 0 HH21 ARG A 112 120.888 -3.347 20.490 1.00 0.00 H new ATOM 0 HH22 ARG A 112 119.573 -2.810 21.539 1.00 0.00 H new ATOM 1668 N LEU A 113 119.745 -3.939 12.500 1.00 0.00 N ATOM 1669 CA LEU A 113 119.252 -4.633 11.272 1.00 0.00 C ATOM 1670 C LEU A 113 117.878 -4.087 10.864 1.00 0.00 C ATOM 1671 O LEU A 113 117.238 -3.396 11.630 1.00 0.00 O ATOM 1672 CB LEU A 113 119.154 -6.113 11.664 1.00 0.00 C ATOM 1673 CG LEU A 113 120.035 -6.944 10.730 1.00 0.00 C ATOM 1674 CD1 LEU A 113 121.378 -7.228 11.402 1.00 0.00 C ATOM 1675 CD2 LEU A 113 119.343 -8.269 10.403 1.00 0.00 C ATOM 0 H LEU A 113 119.613 -4.453 13.371 1.00 0.00 H new ATOM 0 HA LEU A 113 119.914 -4.481 10.419 1.00 0.00 H new ATOM 0 HB2 LEU A 113 119.471 -6.249 12.698 1.00 0.00 H new ATOM 0 HB3 LEU A 113 118.119 -6.450 11.601 1.00 0.00 H new ATOM 0 HG LEU A 113 120.200 -6.384 9.809 1.00 0.00 H new ATOM 0 HD11 LEU A 113 122.002 -7.820 10.733 1.00 0.00 H new ATOM 0 HD12 LEU A 113 121.879 -6.286 11.626 1.00 0.00 H new ATOM 0 HD13 LEU A 113 121.212 -7.780 12.327 1.00 0.00 H new ATOM 0 HD21 LEU A 113 119.976 -8.856 9.737 1.00 0.00 H new ATOM 0 HD22 LEU A 113 119.170 -8.826 11.324 1.00 0.00 H new ATOM 0 HD23 LEU A 113 118.389 -8.070 9.915 1.00 0.00 H new ATOM 1687 N PRO A 114 117.465 -4.423 9.665 1.00 0.00 N ATOM 1688 CA PRO A 114 116.150 -3.962 9.161 1.00 0.00 C ATOM 1689 C PRO A 114 115.022 -4.707 9.874 1.00 0.00 C ATOM 1690 O PRO A 114 113.976 -4.151 10.151 1.00 0.00 O ATOM 1691 CB PRO A 114 116.187 -4.310 7.676 1.00 0.00 C ATOM 1692 CG PRO A 114 117.179 -5.421 7.557 1.00 0.00 C ATOM 1693 CD PRO A 114 118.171 -5.255 8.680 1.00 0.00 C ATOM 0 HA PRO A 114 115.971 -2.901 9.333 1.00 0.00 H new ATOM 0 HB2 PRO A 114 115.205 -4.620 7.320 1.00 0.00 H new ATOM 0 HB3 PRO A 114 116.486 -3.450 7.078 1.00 0.00 H new ATOM 0 HG2 PRO A 114 116.682 -6.389 7.622 1.00 0.00 H new ATOM 0 HG3 PRO A 114 117.682 -5.386 6.591 1.00 0.00 H new ATOM 0 HD2 PRO A 114 118.457 -6.217 9.104 1.00 0.00 H new ATOM 0 HD3 PRO A 114 119.086 -4.774 8.335 1.00 0.00 H new ATOM 1701 N VAL A 115 115.227 -5.962 10.176 1.00 0.00 N ATOM 1702 CA VAL A 115 114.167 -6.742 10.876 1.00 0.00 C ATOM 1703 C VAL A 115 113.976 -6.214 12.297 1.00 0.00 C ATOM 1704 O VAL A 115 112.903 -6.302 12.862 1.00 0.00 O ATOM 1705 CB VAL A 115 114.664 -8.189 10.895 1.00 0.00 C ATOM 1706 CG1 VAL A 115 115.798 -8.357 11.912 1.00 0.00 C ATOM 1707 CG2 VAL A 115 113.500 -9.101 11.279 1.00 0.00 C ATOM 0 H VAL A 115 116.081 -6.479 9.968 1.00 0.00 H new ATOM 0 HA VAL A 115 113.202 -6.661 10.375 1.00 0.00 H new ATOM 0 HB VAL A 115 115.043 -8.451 9.907 1.00 0.00 H new ATOM 0 HG11 VAL A 115 116.138 -9.393 11.910 1.00 0.00 H new ATOM 0 HG12 VAL A 115 116.627 -7.703 11.644 1.00 0.00 H new ATOM 0 HG13 VAL A 115 115.437 -8.095 12.906 1.00 0.00 H new ATOM 0 HG21 VAL A 115 113.840 -10.137 11.297 1.00 0.00 H new ATOM 0 HG22 VAL A 115 113.131 -8.823 12.266 1.00 0.00 H new ATOM 0 HG23 VAL A 115 112.698 -8.995 10.548 1.00 0.00 H new ATOM 1717 N ASP A 116 115.009 -5.664 12.875 1.00 0.00 N ATOM 1718 CA ASP A 116 114.882 -5.126 14.259 1.00 0.00 C ATOM 1719 C ASP A 116 114.070 -3.828 14.236 1.00 0.00 C ATOM 1720 O ASP A 116 113.115 -3.669 14.973 1.00 0.00 O ATOM 1721 CB ASP A 116 116.318 -4.870 14.718 1.00 0.00 C ATOM 1722 CG ASP A 116 116.718 -5.925 15.751 1.00 0.00 C ATOM 1723 OD1 ASP A 116 116.580 -7.099 15.451 1.00 0.00 O ATOM 1724 OD2 ASP A 116 117.149 -5.541 16.826 1.00 0.00 O ATOM 0 H ASP A 116 115.931 -5.564 12.451 1.00 0.00 H new ATOM 0 HA ASP A 116 114.365 -5.810 14.932 1.00 0.00 H new ATOM 0 HB2 ASP A 116 116.996 -4.905 13.865 1.00 0.00 H new ATOM 0 HB3 ASP A 116 116.401 -3.873 15.150 1.00 0.00 H new ATOM 1729 N LEU A 117 114.432 -2.903 13.384 1.00 0.00 N ATOM 1730 CA LEU A 117 113.673 -1.616 13.301 1.00 0.00 C ATOM 1731 C LEU A 117 112.190 -1.895 13.026 1.00 0.00 C ATOM 1732 O LEU A 117 111.329 -1.096 13.339 1.00 0.00 O ATOM 1733 CB LEU A 117 114.299 -0.863 12.121 1.00 0.00 C ATOM 1734 CG LEU A 117 114.567 0.592 12.515 1.00 0.00 C ATOM 1735 CD1 LEU A 117 115.534 1.222 11.511 1.00 0.00 C ATOM 1736 CD2 LEU A 117 113.250 1.375 12.509 1.00 0.00 C ATOM 0 H LEU A 117 115.220 -2.982 12.742 1.00 0.00 H new ATOM 0 HA LEU A 117 113.726 -1.045 14.228 1.00 0.00 H new ATOM 0 HB2 LEU A 117 115.230 -1.346 11.823 1.00 0.00 H new ATOM 0 HB3 LEU A 117 113.631 -0.899 11.260 1.00 0.00 H new ATOM 0 HG LEU A 117 115.005 0.622 13.513 1.00 0.00 H new ATOM 0 HD11 LEU A 117 115.725 2.258 11.791 1.00 0.00 H new ATOM 0 HD12 LEU A 117 116.472 0.667 11.512 1.00 0.00 H new ATOM 0 HD13 LEU A 117 115.095 1.191 10.514 1.00 0.00 H new ATOM 0 HD21 LEU A 117 113.441 2.411 12.790 1.00 0.00 H new ATOM 0 HD22 LEU A 117 112.813 1.344 11.511 1.00 0.00 H new ATOM 0 HD23 LEU A 117 112.558 0.928 13.222 1.00 0.00 H new ATOM 1748 N ALA A 118 111.889 -3.023 12.433 1.00 0.00 N ATOM 1749 CA ALA A 118 110.467 -3.357 12.120 1.00 0.00 C ATOM 1750 C ALA A 118 109.703 -3.755 13.385 1.00 0.00 C ATOM 1751 O ALA A 118 108.753 -3.104 13.775 1.00 0.00 O ATOM 1752 CB ALA A 118 110.548 -4.536 11.158 1.00 0.00 C ATOM 0 H ALA A 118 112.570 -3.729 12.152 1.00 0.00 H new ATOM 0 HA ALA A 118 109.935 -2.506 11.695 1.00 0.00 H new ATOM 0 HB1 ALA A 118 109.542 -4.846 10.877 1.00 0.00 H new ATOM 0 HB2 ALA A 118 111.100 -4.240 10.266 1.00 0.00 H new ATOM 0 HB3 ALA A 118 111.061 -5.367 11.643 1.00 0.00 H new ATOM 1758 N GLU A 119 110.101 -4.826 14.025 1.00 0.00 N ATOM 1759 CA GLU A 119 109.391 -5.273 15.264 1.00 0.00 C ATOM 1760 C GLU A 119 109.202 -4.098 16.232 1.00 0.00 C ATOM 1761 O GLU A 119 108.317 -4.105 17.066 1.00 0.00 O ATOM 1762 CB GLU A 119 110.303 -6.338 15.880 1.00 0.00 C ATOM 1763 CG GLU A 119 109.708 -7.731 15.644 1.00 0.00 C ATOM 1764 CD GLU A 119 108.982 -8.209 16.907 1.00 0.00 C ATOM 1765 OE1 GLU A 119 109.364 -7.788 17.987 1.00 0.00 O ATOM 1766 OE2 GLU A 119 108.057 -8.991 16.768 1.00 0.00 O ATOM 0 H GLU A 119 110.888 -5.411 13.743 1.00 0.00 H new ATOM 0 HA GLU A 119 108.396 -5.661 15.048 1.00 0.00 H new ATOM 0 HB2 GLU A 119 111.298 -6.278 15.438 1.00 0.00 H new ATOM 0 HB3 GLU A 119 110.418 -6.158 16.949 1.00 0.00 H new ATOM 0 HG2 GLU A 119 109.014 -7.702 14.804 1.00 0.00 H new ATOM 0 HG3 GLU A 119 110.498 -8.434 15.380 1.00 0.00 H new ATOM 1773 N GLU A 120 110.026 -3.090 16.127 1.00 0.00 N ATOM 1774 CA GLU A 120 109.894 -1.917 17.039 1.00 0.00 C ATOM 1775 C GLU A 120 108.831 -0.949 16.509 1.00 0.00 C ATOM 1776 O GLU A 120 108.094 -0.347 17.268 1.00 0.00 O ATOM 1777 CB GLU A 120 111.271 -1.252 17.028 1.00 0.00 C ATOM 1778 CG GLU A 120 111.910 -1.362 18.415 1.00 0.00 C ATOM 1779 CD GLU A 120 111.388 -0.235 19.308 1.00 0.00 C ATOM 1780 OE1 GLU A 120 110.332 -0.411 19.893 1.00 0.00 O ATOM 1781 OE2 GLU A 120 112.053 0.785 19.391 1.00 0.00 O ATOM 0 H GLU A 120 110.785 -3.028 15.449 1.00 0.00 H new ATOM 0 HA GLU A 120 109.587 -2.209 18.043 1.00 0.00 H new ATOM 0 HB2 GLU A 120 111.910 -1.729 16.284 1.00 0.00 H new ATOM 0 HB3 GLU A 120 111.177 -0.204 16.743 1.00 0.00 H new ATOM 0 HG2 GLU A 120 111.677 -2.330 18.859 1.00 0.00 H new ATOM 0 HG3 GLU A 120 112.995 -1.302 18.333 1.00 0.00 H new ATOM 1788 N LEU A 121 108.754 -0.786 15.214 1.00 0.00 N ATOM 1789 CA LEU A 121 107.748 0.152 14.640 1.00 0.00 C ATOM 1790 C LEU A 121 106.402 -0.563 14.425 1.00 0.00 C ATOM 1791 O LEU A 121 105.483 -0.007 13.858 1.00 0.00 O ATOM 1792 CB LEU A 121 108.348 0.609 13.307 1.00 0.00 C ATOM 1793 CG LEU A 121 109.332 1.777 13.513 1.00 0.00 C ATOM 1794 CD1 LEU A 121 108.557 3.093 13.621 1.00 0.00 C ATOM 1795 CD2 LEU A 121 110.165 1.573 14.787 1.00 0.00 C ATOM 0 H LEU A 121 109.344 -1.262 14.531 1.00 0.00 H new ATOM 0 HA LEU A 121 107.544 0.994 15.301 1.00 0.00 H new ATOM 0 HB2 LEU A 121 108.864 -0.225 12.832 1.00 0.00 H new ATOM 0 HB3 LEU A 121 107.550 0.917 12.632 1.00 0.00 H new ATOM 0 HG LEU A 121 110.005 1.812 12.656 1.00 0.00 H new ATOM 0 HD11 LEU A 121 109.256 3.916 13.767 1.00 0.00 H new ATOM 0 HD12 LEU A 121 107.989 3.257 12.705 1.00 0.00 H new ATOM 0 HD13 LEU A 121 107.873 3.044 14.468 1.00 0.00 H new ATOM 0 HD21 LEU A 121 110.852 2.410 14.911 1.00 0.00 H new ATOM 0 HD22 LEU A 121 109.502 1.517 15.650 1.00 0.00 H new ATOM 0 HD23 LEU A 121 110.733 0.646 14.706 1.00 0.00 H new ATOM 1807 N GLY A 122 106.274 -1.782 14.892 1.00 0.00 N ATOM 1808 CA GLY A 122 104.981 -2.516 14.738 1.00 0.00 C ATOM 1809 C GLY A 122 104.878 -3.181 13.360 1.00 0.00 C ATOM 1810 O GLY A 122 103.791 -3.448 12.882 1.00 0.00 O ATOM 0 H GLY A 122 107.010 -2.299 15.373 1.00 0.00 H new ATOM 0 HA2 GLY A 122 104.896 -3.274 15.517 1.00 0.00 H new ATOM 0 HA3 GLY A 122 104.149 -1.824 14.873 1.00 0.00 H new ATOM 1814 N HIS A 123 105.982 -3.463 12.719 1.00 0.00 N ATOM 1815 CA HIS A 123 105.914 -4.120 11.386 1.00 0.00 C ATOM 1816 C HIS A 123 106.164 -5.616 11.550 1.00 0.00 C ATOM 1817 O HIS A 123 106.891 -6.223 10.790 1.00 0.00 O ATOM 1818 CB HIS A 123 107.019 -3.460 10.562 1.00 0.00 C ATOM 1819 CG HIS A 123 106.837 -1.966 10.608 1.00 0.00 C ATOM 1820 ND1 HIS A 123 105.582 -1.377 10.626 1.00 0.00 N ATOM 1821 CD2 HIS A 123 107.735 -0.930 10.646 1.00 0.00 C ATOM 1822 CE1 HIS A 123 105.759 -0.045 10.669 1.00 0.00 C ATOM 1823 NE2 HIS A 123 107.054 0.281 10.683 1.00 0.00 N ATOM 0 H HIS A 123 106.923 -3.267 13.061 1.00 0.00 H new ATOM 0 HA HIS A 123 104.943 -4.009 10.903 1.00 0.00 H new ATOM 0 HB2 HIS A 123 107.998 -3.733 10.957 1.00 0.00 H new ATOM 0 HB3 HIS A 123 106.982 -3.812 9.531 1.00 0.00 H new ATOM 0 HD2 HIS A 123 108.809 -1.039 10.647 1.00 0.00 H new ATOM 0 HE1 HIS A 123 104.953 0.673 10.690 1.00 0.00 H new ATOM 0 HE2 HIS A 123 107.457 1.218 10.714 1.00 0.00 H new ATOM 1831 N ARG A 124 105.560 -6.206 12.551 1.00 0.00 N ATOM 1832 CA ARG A 124 105.739 -7.669 12.802 1.00 0.00 C ATOM 1833 C ARG A 124 105.632 -8.446 11.489 1.00 0.00 C ATOM 1834 O ARG A 124 106.405 -9.346 11.223 1.00 0.00 O ATOM 1835 CB ARG A 124 104.595 -8.048 13.745 1.00 0.00 C ATOM 1836 CG ARG A 124 105.164 -8.560 15.071 1.00 0.00 C ATOM 1837 CD ARG A 124 104.115 -9.423 15.778 1.00 0.00 C ATOM 1838 NE ARG A 124 104.762 -10.756 15.957 1.00 0.00 N ATOM 1839 CZ ARG A 124 105.582 -10.960 16.953 1.00 0.00 C ATOM 1840 NH1 ARG A 124 105.277 -10.543 18.151 1.00 0.00 N ATOM 1841 NH2 ARG A 124 106.705 -11.594 16.754 1.00 0.00 N ATOM 0 H ARG A 124 104.944 -5.732 13.212 1.00 0.00 H new ATOM 0 HA ARG A 124 106.715 -7.901 13.229 1.00 0.00 H new ATOM 0 HB2 ARG A 124 103.956 -7.183 13.923 1.00 0.00 H new ATOM 0 HB3 ARG A 124 103.972 -8.815 13.286 1.00 0.00 H new ATOM 0 HG2 ARG A 124 106.068 -9.142 14.890 1.00 0.00 H new ATOM 0 HG3 ARG A 124 105.447 -7.720 15.706 1.00 0.00 H new ATOM 0 HD2 ARG A 124 103.831 -8.991 16.738 1.00 0.00 H new ATOM 0 HD3 ARG A 124 103.205 -9.503 15.183 1.00 0.00 H new ATOM 0 HE ARG A 124 104.563 -11.510 15.299 1.00 0.00 H new ATOM 0 HH11 ARG A 124 104.396 -10.056 18.312 1.00 0.00 H new ATOM 0 HH12 ARG A 124 105.920 -10.704 18.926 1.00 0.00 H new ATOM 0 HH21 ARG A 124 106.942 -11.930 15.821 1.00 0.00 H new ATOM 0 HH22 ARG A 124 107.345 -11.753 17.532 1.00 0.00 H new ATOM 1855 N ASP A 125 104.685 -8.094 10.662 1.00 0.00 N ATOM 1856 CA ASP A 125 104.532 -8.800 9.358 1.00 0.00 C ATOM 1857 C ASP A 125 105.821 -8.663 8.546 1.00 0.00 C ATOM 1858 O ASP A 125 106.252 -9.590 7.888 1.00 0.00 O ATOM 1859 CB ASP A 125 103.365 -8.101 8.660 1.00 0.00 C ATOM 1860 CG ASP A 125 102.095 -8.301 9.489 1.00 0.00 C ATOM 1861 OD1 ASP A 125 101.882 -9.412 9.946 1.00 0.00 O ATOM 1862 OD2 ASP A 125 101.361 -7.341 9.660 1.00 0.00 O ATOM 0 H ASP A 125 104.011 -7.348 10.833 1.00 0.00 H new ATOM 0 HA ASP A 125 104.342 -9.867 9.476 1.00 0.00 H new ATOM 0 HB2 ASP A 125 103.577 -7.038 8.547 1.00 0.00 H new ATOM 0 HB3 ASP A 125 103.228 -8.507 7.658 1.00 0.00 H new ATOM 1867 N VAL A 126 106.453 -7.520 8.603 1.00 0.00 N ATOM 1868 CA VAL A 126 107.724 -7.341 7.848 1.00 0.00 C ATOM 1869 C VAL A 126 108.880 -7.921 8.662 1.00 0.00 C ATOM 1870 O VAL A 126 109.780 -8.539 8.127 1.00 0.00 O ATOM 1871 CB VAL A 126 107.892 -5.828 7.642 1.00 0.00 C ATOM 1872 CG1 VAL A 126 108.914 -5.601 6.529 1.00 0.00 C ATOM 1873 CG2 VAL A 126 106.548 -5.210 7.229 1.00 0.00 C ATOM 0 H VAL A 126 106.145 -6.708 9.137 1.00 0.00 H new ATOM 0 HA VAL A 126 107.711 -7.856 6.887 1.00 0.00 H new ATOM 0 HB VAL A 126 108.230 -5.363 8.568 1.00 0.00 H new ATOM 0 HG11 VAL A 126 109.046 -4.531 6.369 1.00 0.00 H new ATOM 0 HG12 VAL A 126 109.867 -6.046 6.814 1.00 0.00 H new ATOM 0 HG13 VAL A 126 108.559 -6.064 5.609 1.00 0.00 H new ATOM 0 HG21 VAL A 126 106.670 -4.137 7.084 1.00 0.00 H new ATOM 0 HG22 VAL A 126 106.208 -5.666 6.299 1.00 0.00 H new ATOM 0 HG23 VAL A 126 105.810 -5.388 8.011 1.00 0.00 H new ATOM 1883 N ALA A 127 108.850 -7.748 9.953 1.00 0.00 N ATOM 1884 CA ALA A 127 109.936 -8.308 10.807 1.00 0.00 C ATOM 1885 C ALA A 127 109.984 -9.831 10.653 1.00 0.00 C ATOM 1886 O ALA A 127 110.992 -10.460 10.909 1.00 0.00 O ATOM 1887 CB ALA A 127 109.549 -7.923 12.235 1.00 0.00 C ATOM 0 H ALA A 127 108.120 -7.243 10.455 1.00 0.00 H new ATOM 0 HA ALA A 127 110.921 -7.928 10.537 1.00 0.00 H new ATOM 0 HB1 ALA A 127 110.300 -8.299 12.930 1.00 0.00 H new ATOM 0 HB2 ALA A 127 109.491 -6.838 12.316 1.00 0.00 H new ATOM 0 HB3 ALA A 127 108.579 -8.357 12.479 1.00 0.00 H new ATOM 1893 N ARG A 128 108.895 -10.424 10.240 1.00 0.00 N ATOM 1894 CA ARG A 128 108.862 -11.907 10.069 1.00 0.00 C ATOM 1895 C ARG A 128 109.764 -12.330 8.907 1.00 0.00 C ATOM 1896 O ARG A 128 110.817 -12.905 9.104 1.00 0.00 O ATOM 1897 CB ARG A 128 107.397 -12.236 9.758 1.00 0.00 C ATOM 1898 CG ARG A 128 106.880 -13.282 10.747 1.00 0.00 C ATOM 1899 CD ARG A 128 105.628 -13.954 10.172 1.00 0.00 C ATOM 1900 NE ARG A 128 105.127 -14.833 11.264 1.00 0.00 N ATOM 1901 CZ ARG A 128 105.655 -16.014 11.443 1.00 0.00 C ATOM 1902 NH1 ARG A 128 105.599 -16.904 10.490 1.00 0.00 N ATOM 1903 NH2 ARG A 128 106.238 -16.304 12.575 1.00 0.00 N ATOM 0 H ARG A 128 108.024 -9.944 10.013 1.00 0.00 H new ATOM 0 HA ARG A 128 109.221 -12.432 10.954 1.00 0.00 H new ATOM 0 HB2 ARG A 128 106.791 -11.332 9.820 1.00 0.00 H new ATOM 0 HB3 ARG A 128 107.307 -12.611 8.738 1.00 0.00 H new ATOM 0 HG2 ARG A 128 107.651 -14.028 10.939 1.00 0.00 H new ATOM 0 HG3 ARG A 128 106.647 -12.811 11.702 1.00 0.00 H new ATOM 0 HD2 ARG A 128 104.880 -13.215 9.885 1.00 0.00 H new ATOM 0 HD3 ARG A 128 105.865 -14.531 9.278 1.00 0.00 H new ATOM 0 HE ARG A 128 104.373 -14.513 11.871 1.00 0.00 H new ATOM 0 HH11 ARG A 128 105.143 -16.677 9.606 1.00 0.00 H new ATOM 0 HH12 ARG A 128 106.011 -17.827 10.629 1.00 0.00 H new ATOM 0 HH21 ARG A 128 106.281 -15.608 13.319 1.00 0.00 H new ATOM 0 HH22 ARG A 128 106.650 -17.226 12.715 1.00 0.00 H new ATOM 1917 N TYR A 129 109.356 -12.051 7.693 1.00 0.00 N ATOM 1918 CA TYR A 129 110.187 -12.441 6.515 1.00 0.00 C ATOM 1919 C TYR A 129 111.603 -11.894 6.672 1.00 0.00 C ATOM 1920 O TYR A 129 112.572 -12.593 6.449 1.00 0.00 O ATOM 1921 CB TYR A 129 109.497 -11.815 5.301 1.00 0.00 C ATOM 1922 CG TYR A 129 109.945 -12.500 4.021 1.00 0.00 C ATOM 1923 CD1 TYR A 129 110.274 -13.866 4.015 1.00 0.00 C ATOM 1924 CD2 TYR A 129 110.025 -11.763 2.830 1.00 0.00 C ATOM 1925 CE1 TYR A 129 110.676 -14.485 2.827 1.00 0.00 C ATOM 1926 CE2 TYR A 129 110.430 -12.386 1.641 1.00 0.00 C ATOM 1927 CZ TYR A 129 110.755 -13.748 1.641 1.00 0.00 C ATOM 1928 OH TYR A 129 111.153 -14.364 0.471 1.00 0.00 O ATOM 0 H TYR A 129 108.485 -11.571 7.469 1.00 0.00 H new ATOM 0 HA TYR A 129 110.271 -13.523 6.412 1.00 0.00 H new ATOM 0 HB2 TYR A 129 108.415 -11.900 5.406 1.00 0.00 H new ATOM 0 HB3 TYR A 129 109.730 -10.751 5.252 1.00 0.00 H new ATOM 0 HD1 TYR A 129 110.216 -14.439 4.929 1.00 0.00 H new ATOM 0 HD2 TYR A 129 109.774 -10.713 2.829 1.00 0.00 H new ATOM 0 HE1 TYR A 129 110.926 -15.536 2.825 1.00 0.00 H new ATOM 0 HE2 TYR A 129 110.491 -11.816 0.726 1.00 0.00 H new ATOM 0 HH TYR A 129 111.153 -13.710 -0.259 1.00 0.00 H new ATOM 1938 N LEU A 130 111.731 -10.652 7.066 1.00 0.00 N ATOM 1939 CA LEU A 130 113.091 -10.067 7.249 1.00 0.00 C ATOM 1940 C LEU A 130 113.935 -11.000 8.119 1.00 0.00 C ATOM 1941 O LEU A 130 114.992 -11.440 7.725 1.00 0.00 O ATOM 1942 CB LEU A 130 112.870 -8.724 7.947 1.00 0.00 C ATOM 1943 CG LEU A 130 112.607 -7.642 6.896 1.00 0.00 C ATOM 1944 CD1 LEU A 130 112.449 -6.280 7.580 1.00 0.00 C ATOM 1945 CD2 LEU A 130 113.787 -7.578 5.916 1.00 0.00 C ATOM 0 H LEU A 130 110.955 -10.021 7.268 1.00 0.00 H new ATOM 0 HA LEU A 130 113.619 -9.937 6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 130 112.026 -8.793 8.633 1.00 0.00 H new ATOM 0 HB3 LEU A 130 113.745 -8.463 8.543 1.00 0.00 H new ATOM 0 HG LEU A 130 111.692 -7.887 6.356 1.00 0.00 H new ATOM 0 HD11 LEU A 130 112.262 -5.514 6.827 1.00 0.00 H new ATOM 0 HD12 LEU A 130 111.611 -6.317 8.276 1.00 0.00 H new ATOM 0 HD13 LEU A 130 113.362 -6.038 8.125 1.00 0.00 H new ATOM 0 HD21 LEU A 130 113.598 -6.807 5.169 1.00 0.00 H new ATOM 0 HD22 LEU A 130 114.700 -7.339 6.461 1.00 0.00 H new ATOM 0 HD23 LEU A 130 113.902 -8.543 5.421 1.00 0.00 H new ATOM 1957 N ARG A 131 113.459 -11.331 9.290 1.00 0.00 N ATOM 1958 CA ARG A 131 114.223 -12.261 10.175 1.00 0.00 C ATOM 1959 C ARG A 131 114.539 -13.558 9.422 1.00 0.00 C ATOM 1960 O ARG A 131 115.468 -14.269 9.751 1.00 0.00 O ATOM 1961 CB ARG A 131 113.287 -12.543 11.350 1.00 0.00 C ATOM 1962 CG ARG A 131 114.110 -12.947 12.574 1.00 0.00 C ATOM 1963 CD ARG A 131 114.199 -14.474 12.652 1.00 0.00 C ATOM 1964 NE ARG A 131 114.952 -14.752 13.906 1.00 0.00 N ATOM 1965 CZ ARG A 131 114.442 -14.422 15.062 1.00 0.00 C ATOM 1966 NH1 ARG A 131 113.281 -14.898 15.425 1.00 0.00 N ATOM 1967 NH2 ARG A 131 115.091 -13.612 15.851 1.00 0.00 N ATOM 0 H ARG A 131 112.574 -10.998 9.673 1.00 0.00 H new ATOM 0 HA ARG A 131 115.173 -11.838 10.501 1.00 0.00 H new ATOM 0 HB2 ARG A 131 112.692 -11.658 11.575 1.00 0.00 H new ATOM 0 HB3 ARG A 131 112.589 -13.339 11.089 1.00 0.00 H new ATOM 0 HG2 ARG A 131 115.110 -12.517 12.511 1.00 0.00 H new ATOM 0 HG3 ARG A 131 113.650 -12.553 13.480 1.00 0.00 H new ATOM 0 HD2 ARG A 131 113.208 -14.926 12.678 1.00 0.00 H new ATOM 0 HD3 ARG A 131 114.714 -14.884 11.783 1.00 0.00 H new ATOM 0 HE ARG A 131 115.867 -15.201 13.862 1.00 0.00 H new ATOM 0 HH11 ARG A 131 112.772 -15.528 14.805 1.00 0.00 H new ATOM 0 HH12 ARG A 131 112.884 -14.640 16.328 1.00 0.00 H new ATOM 0 HH21 ARG A 131 115.995 -13.237 15.565 1.00 0.00 H new ATOM 0 HH22 ARG A 131 114.694 -13.353 16.754 1.00 0.00 H new ATOM 1981 N ALA A 132 113.770 -13.865 8.414 1.00 0.00 N ATOM 1982 CA ALA A 132 114.019 -15.108 7.635 1.00 0.00 C ATOM 1983 C ALA A 132 115.149 -14.879 6.634 1.00 0.00 C ATOM 1984 O ALA A 132 116.106 -15.626 6.576 1.00 0.00 O ATOM 1985 CB ALA A 132 112.705 -15.377 6.906 1.00 0.00 C ATOM 0 H ALA A 132 112.978 -13.306 8.096 1.00 0.00 H new ATOM 0 HA ALA A 132 114.317 -15.945 8.266 1.00 0.00 H new ATOM 0 HB1 ALA A 132 112.801 -16.281 6.305 1.00 0.00 H new ATOM 0 HB2 ALA A 132 111.905 -15.509 7.635 1.00 0.00 H new ATOM 0 HB3 ALA A 132 112.469 -14.533 6.258 1.00 0.00 H new ATOM 1991 N ALA A 133 115.038 -13.848 5.842 1.00 0.00 N ATOM 1992 CA ALA A 133 116.093 -13.557 4.833 1.00 0.00 C ATOM 1993 C ALA A 133 117.198 -12.672 5.427 1.00 0.00 C ATOM 1994 O ALA A 133 118.208 -12.429 4.796 1.00 0.00 O ATOM 1995 CB ALA A 133 115.359 -12.820 3.714 1.00 0.00 C ATOM 0 H ALA A 133 114.257 -13.192 5.851 1.00 0.00 H new ATOM 0 HA ALA A 133 116.586 -14.464 4.484 1.00 0.00 H new ATOM 0 HB1 ALA A 133 116.064 -12.565 2.923 1.00 0.00 H new ATOM 0 HB2 ALA A 133 114.575 -13.461 3.309 1.00 0.00 H new ATOM 0 HB3 ALA A 133 114.913 -11.908 4.110 1.00 0.00 H new ATOM 2001 N ALA A 134 117.021 -12.182 6.630 1.00 0.00 N ATOM 2002 CA ALA A 134 118.071 -11.311 7.242 1.00 0.00 C ATOM 2003 C ALA A 134 118.805 -12.059 8.357 1.00 0.00 C ATOM 2004 O ALA A 134 119.978 -11.838 8.595 1.00 0.00 O ATOM 2005 CB ALA A 134 117.322 -10.101 7.813 1.00 0.00 C ATOM 0 H ALA A 134 116.199 -12.347 7.211 1.00 0.00 H new ATOM 0 HA ALA A 134 118.822 -11.013 6.511 1.00 0.00 H new ATOM 0 HB1 ALA A 134 118.034 -9.419 8.278 1.00 0.00 H new ATOM 0 HB2 ALA A 134 116.798 -9.585 7.009 1.00 0.00 H new ATOM 0 HB3 ALA A 134 116.602 -10.438 8.558 1.00 0.00 H new