USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 764 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 97 THR OG1 : rot 177:sc= -0.354 USER MOD Set 1.2: A 104 SER OG : rot 180:sc= 0.678 USER MOD Set 2.1: A 45 THR OG1 : rot 116:sc= -0.719 USER MOD Set 2.2: A 47 THR OG1 : rot 180:sc= 0.0852 USER MOD Set 3.1: A 31 THR OG1 : rot 180:sc= 1.08 USER MOD Set 3.2: A 34 THR OG1 : rot -120:sc= 1.19 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.694 USER MOD Single : A 27 GLN : amide:sc= -0.0914 K(o=-0.091,f=-0.76) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 170:sc= -0.56 USER MOD Single : A 51 ASN : amide:sc= -1.4 K(o=-1.4,f=-4.6!) USER MOD Single : A 54 ASN : amide:sc= -1.09 K(o=-1.1,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 151:sc= 0.455 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -1.04 X(o=-1,f=-0.64) USER MOD Single : A 74 THR OG1 : rot 76:sc= 1.5 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -160:sc= -0.562 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -150:sc= 0 USER MOD Single : A 99 SER OG : rot 1:sc= -0.0887 USER MOD Single : A 101 GLN : amide:sc= -1.28! C(o=-1.3!,f=-12!) USER MOD Single : A 107 SER OG : rot 53:sc= -1.78! USER MOD ----------------------------------------------------------------- ATOM 185 N GLY A 16 -17.291 2.802 0.763 1.00 0.00 N ATOM 186 CA GLY A 16 -16.198 2.058 0.166 1.00 0.00 C ATOM 187 C GLY A 16 -16.621 1.307 -1.081 1.00 0.00 C ATOM 188 O GLY A 16 -17.800 1.255 -1.430 1.00 0.00 O ATOM 0 HA2 GLY A 16 -15.389 2.744 -0.084 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -15.802 1.351 0.895 1.00 0.00 H new ATOM 192 N PRO A 17 -15.642 0.711 -1.778 1.00 0.00 N ATOM 193 CA PRO A 17 -14.234 0.767 -1.373 1.00 0.00 C ATOM 194 C PRO A 17 -13.638 2.160 -1.541 1.00 0.00 C ATOM 195 O PRO A 17 -14.094 2.963 -2.355 1.00 0.00 O ATOM 196 CB PRO A 17 -13.553 -0.224 -2.320 1.00 0.00 C ATOM 197 CG PRO A 17 -14.433 -0.266 -3.521 1.00 0.00 C ATOM 198 CD PRO A 17 -15.834 -0.064 -3.015 1.00 0.00 C ATOM 0 HA PRO A 17 -14.103 0.528 -0.318 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.546 0.103 -2.578 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -13.460 -1.209 -1.862 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -14.159 0.513 -4.233 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.339 -1.220 -4.040 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -16.448 0.476 -3.736 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -16.332 -1.014 -2.821 1.00 0.00 H new ATOM 206 N PRO A 18 -12.593 2.457 -0.753 1.00 0.00 N ATOM 207 CA PRO A 18 -11.912 3.754 -0.797 1.00 0.00 C ATOM 208 C PRO A 18 -11.121 3.949 -2.086 1.00 0.00 C ATOM 209 O PRO A 18 -10.361 3.073 -2.498 1.00 0.00 O ATOM 210 CB PRO A 18 -10.967 3.699 0.406 1.00 0.00 C ATOM 211 CG PRO A 18 -10.724 2.247 0.632 1.00 0.00 C ATOM 212 CD PRO A 18 -11.997 1.548 0.241 1.00 0.00 C ATOM 0 HA PRO A 18 -12.616 4.586 -0.766 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.036 4.229 0.203 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -11.415 4.166 1.283 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.885 1.894 0.032 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -10.476 2.051 1.675 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.801 0.563 -0.182 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.655 1.402 1.098 1.00 0.00 H new ATOM 220 N ALA A 19 -11.304 5.104 -2.718 1.00 0.00 N ATOM 221 CA ALA A 19 -10.606 5.415 -3.959 1.00 0.00 C ATOM 222 C ALA A 19 -9.120 5.091 -3.849 1.00 0.00 C ATOM 223 O ALA A 19 -8.394 5.661 -3.033 1.00 0.00 O ATOM 224 CB ALA A 19 -10.803 6.879 -4.323 1.00 0.00 C ATOM 0 H ALA A 19 -11.930 5.840 -2.391 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.029 4.795 -4.750 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.276 7.097 -5.252 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.866 7.082 -4.453 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.408 7.509 -3.526 1.00 0.00 H new ATOM 230 N PRO A 20 -8.653 4.154 -4.688 1.00 0.00 N ATOM 231 CA PRO A 20 -7.249 3.733 -4.703 1.00 0.00 C ATOM 232 C PRO A 20 -6.325 4.818 -5.245 1.00 0.00 C ATOM 233 O PRO A 20 -6.704 5.623 -6.096 1.00 0.00 O ATOM 234 CB PRO A 20 -7.253 2.519 -5.635 1.00 0.00 C ATOM 235 CG PRO A 20 -8.431 2.727 -6.523 1.00 0.00 C ATOM 236 CD PRO A 20 -9.461 3.434 -5.686 1.00 0.00 C ATOM 0 HA PRO A 20 -6.877 3.517 -3.701 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -6.329 2.459 -6.210 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -7.340 1.589 -5.073 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.162 3.322 -7.395 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.814 1.776 -6.892 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.064 4.117 -6.284 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -10.148 2.731 -5.215 1.00 0.00 H new ATOM 244 N PRO A 21 -5.081 4.842 -4.742 1.00 0.00 N ATOM 245 CA PRO A 21 -4.077 5.823 -5.163 1.00 0.00 C ATOM 246 C PRO A 21 -3.600 5.589 -6.592 1.00 0.00 C ATOM 247 O PRO A 21 -3.931 4.576 -7.207 1.00 0.00 O ATOM 248 CB PRO A 21 -2.930 5.603 -4.173 1.00 0.00 C ATOM 249 CG PRO A 21 -3.082 4.191 -3.725 1.00 0.00 C ATOM 250 CD PRO A 21 -4.560 3.914 -3.725 1.00 0.00 C ATOM 0 HA PRO A 21 -4.473 6.839 -5.159 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.962 5.766 -4.646 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.994 6.294 -3.333 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.557 3.510 -4.395 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.658 4.049 -2.731 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.774 2.876 -3.981 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.004 4.100 -2.747 1.00 0.00 H new ATOM 258 N GLN A 22 -2.821 6.531 -7.113 1.00 0.00 N ATOM 259 CA GLN A 22 -2.299 6.425 -8.471 1.00 0.00 C ATOM 260 C GLN A 22 -0.880 6.977 -8.553 1.00 0.00 C ATOM 261 O GLN A 22 -0.313 7.411 -7.550 1.00 0.00 O ATOM 262 CB GLN A 22 -3.207 7.173 -9.449 1.00 0.00 C ATOM 263 CG GLN A 22 -4.593 6.563 -9.581 1.00 0.00 C ATOM 264 CD GLN A 22 -5.476 7.323 -10.550 1.00 0.00 C ATOM 265 OE1 GLN A 22 -5.193 7.385 -11.747 1.00 0.00 O ATOM 266 NE2 GLN A 22 -6.552 7.908 -10.038 1.00 0.00 N ATOM 0 H GLN A 22 -2.537 7.376 -6.616 1.00 0.00 H new ATOM 0 HA GLN A 22 -2.275 5.370 -8.743 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.304 8.208 -9.122 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -2.733 7.192 -10.430 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.500 5.529 -9.914 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.071 6.541 -8.601 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -6.748 7.831 -9.040 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.183 8.435 -10.643 1.00 0.00 H new ATOM 275 N ASP A 23 -0.311 6.956 -9.753 1.00 0.00 N ATOM 276 CA ASP A 23 1.043 7.455 -9.966 1.00 0.00 C ATOM 277 C ASP A 23 2.040 6.720 -9.075 1.00 0.00 C ATOM 278 O ASP A 23 3.011 7.306 -8.597 1.00 0.00 O ATOM 279 CB ASP A 23 1.105 8.958 -9.690 1.00 0.00 C ATOM 280 CG ASP A 23 0.822 9.786 -10.929 1.00 0.00 C ATOM 281 OD1 ASP A 23 -0.316 9.720 -11.439 1.00 0.00 O ATOM 282 OD2 ASP A 23 1.739 10.500 -11.386 1.00 0.00 O ATOM 0 H ASP A 23 -0.766 6.599 -10.593 1.00 0.00 H new ATOM 0 HA ASP A 23 1.311 7.273 -11.007 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.383 9.212 -8.914 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.092 9.213 -9.303 1.00 0.00 H new ATOM 287 N VAL A 24 1.792 5.432 -8.855 1.00 0.00 N ATOM 288 CA VAL A 24 2.667 4.617 -8.022 1.00 0.00 C ATOM 289 C VAL A 24 4.029 4.425 -8.679 1.00 0.00 C ATOM 290 O VAL A 24 4.121 4.028 -9.841 1.00 0.00 O ATOM 291 CB VAL A 24 2.046 3.236 -7.739 1.00 0.00 C ATOM 292 CG1 VAL A 24 2.979 2.397 -6.879 1.00 0.00 C ATOM 293 CG2 VAL A 24 0.687 3.390 -7.073 1.00 0.00 C ATOM 0 H VAL A 24 0.992 4.931 -9.242 1.00 0.00 H new ATOM 0 HA VAL A 24 2.794 5.150 -7.080 1.00 0.00 H new ATOM 0 HB VAL A 24 1.903 2.719 -8.688 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.523 1.425 -6.689 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.927 2.258 -7.399 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.156 2.906 -5.931 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.263 2.405 -6.880 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.802 3.926 -6.131 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.021 3.950 -7.730 1.00 0.00 H new ATOM 303 N THR A 25 5.089 4.708 -7.927 1.00 0.00 N ATOM 304 CA THR A 25 6.447 4.567 -8.435 1.00 0.00 C ATOM 305 C THR A 25 7.413 4.177 -7.323 1.00 0.00 C ATOM 306 O THR A 25 7.070 4.229 -6.142 1.00 0.00 O ATOM 307 CB THR A 25 6.938 5.870 -9.093 1.00 0.00 C ATOM 308 OG1 THR A 25 8.369 5.874 -9.164 1.00 0.00 O ATOM 309 CG2 THR A 25 6.460 7.085 -8.312 1.00 0.00 C ATOM 0 H THR A 25 5.032 5.037 -6.963 1.00 0.00 H new ATOM 0 HA THR A 25 6.423 3.776 -9.185 1.00 0.00 H new ATOM 0 HB THR A 25 6.525 5.920 -10.100 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.673 6.705 -9.585 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.819 7.993 -8.796 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.370 7.095 -8.285 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.847 7.039 -7.294 1.00 0.00 H new ATOM 317 N VAL A 26 8.624 3.787 -7.707 1.00 0.00 N ATOM 318 CA VAL A 26 9.642 3.390 -6.741 1.00 0.00 C ATOM 319 C VAL A 26 10.894 4.249 -6.877 1.00 0.00 C ATOM 320 O VAL A 26 11.588 4.194 -7.891 1.00 0.00 O ATOM 321 CB VAL A 26 10.028 1.908 -6.909 1.00 0.00 C ATOM 322 CG1 VAL A 26 11.141 1.533 -5.943 1.00 0.00 C ATOM 323 CG2 VAL A 26 8.813 1.015 -6.708 1.00 0.00 C ATOM 0 H VAL A 26 8.924 3.737 -8.680 1.00 0.00 H new ATOM 0 HA VAL A 26 9.212 3.535 -5.750 1.00 0.00 H new ATOM 0 HB VAL A 26 10.396 1.759 -7.924 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.400 0.483 -6.076 1.00 0.00 H new ATOM 0 HG12 VAL A 26 12.017 2.151 -6.140 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.805 1.696 -4.919 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.104 -0.028 -6.830 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.413 1.165 -5.705 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.050 1.268 -7.444 1.00 0.00 H new ATOM 333 N GLN A 27 11.176 5.041 -5.848 1.00 0.00 N ATOM 334 CA GLN A 27 12.345 5.912 -5.853 1.00 0.00 C ATOM 335 C GLN A 27 13.532 5.234 -5.177 1.00 0.00 C ATOM 336 O GLN A 27 14.459 4.774 -5.843 1.00 0.00 O ATOM 337 CB GLN A 27 12.027 7.232 -5.148 1.00 0.00 C ATOM 338 CG GLN A 27 10.851 7.978 -5.756 1.00 0.00 C ATOM 339 CD GLN A 27 11.271 8.934 -6.855 1.00 0.00 C ATOM 340 OE1 GLN A 27 12.281 9.629 -6.737 1.00 0.00 O ATOM 341 NE2 GLN A 27 10.496 8.975 -7.933 1.00 0.00 N ATOM 0 H GLN A 27 10.611 5.098 -5.001 1.00 0.00 H new ATOM 0 HA GLN A 27 12.609 6.117 -6.890 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.816 7.032 -4.098 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.908 7.873 -5.179 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.138 7.258 -6.159 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.335 8.534 -4.974 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.668 8.382 -7.989 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.729 9.600 -8.705 1.00 0.00 H new ATOM 350 N ALA A 28 13.497 5.177 -3.850 1.00 0.00 N ATOM 351 CA ALA A 28 14.569 4.553 -3.084 1.00 0.00 C ATOM 352 C ALA A 28 14.240 4.532 -1.595 1.00 0.00 C ATOM 353 O ALA A 28 13.748 5.516 -1.044 1.00 0.00 O ATOM 354 CB ALA A 28 15.883 5.282 -3.325 1.00 0.00 C ATOM 0 H ALA A 28 12.738 5.555 -3.283 1.00 0.00 H new ATOM 0 HA ALA A 28 14.670 3.522 -3.422 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.675 4.806 -2.747 1.00 0.00 H new ATOM 0 HB2 ALA A 28 16.133 5.241 -4.385 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.784 6.322 -3.016 1.00 0.00 H new ATOM 360 N GLY A 29 14.513 3.402 -0.949 1.00 0.00 N ATOM 361 CA GLY A 29 14.238 3.274 0.470 1.00 0.00 C ATOM 362 C GLY A 29 15.395 3.744 1.330 1.00 0.00 C ATOM 363 O GLY A 29 16.558 3.510 1.001 1.00 0.00 O ATOM 0 H GLY A 29 14.920 2.573 -1.383 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.347 3.851 0.718 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.017 2.232 0.702 1.00 0.00 H new ATOM 367 N VAL A 30 15.077 4.410 2.435 1.00 0.00 N ATOM 368 CA VAL A 30 16.098 4.915 3.345 1.00 0.00 C ATOM 369 C VAL A 30 17.277 3.952 3.435 1.00 0.00 C ATOM 370 O VAL A 30 18.416 4.365 3.659 1.00 0.00 O ATOM 371 CB VAL A 30 15.528 5.145 4.757 1.00 0.00 C ATOM 372 CG1 VAL A 30 16.611 5.660 5.693 1.00 0.00 C ATOM 373 CG2 VAL A 30 14.353 6.110 4.706 1.00 0.00 C ATOM 0 H VAL A 30 14.119 4.613 2.722 1.00 0.00 H new ATOM 0 HA VAL A 30 16.440 5.868 2.941 1.00 0.00 H new ATOM 0 HB VAL A 30 15.169 4.192 5.145 1.00 0.00 H new ATOM 0 HG11 VAL A 30 16.189 5.817 6.686 1.00 0.00 H new ATOM 0 HG12 VAL A 30 17.418 4.930 5.752 1.00 0.00 H new ATOM 0 HG13 VAL A 30 17.003 6.603 5.312 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.962 6.261 5.712 1.00 0.00 H new ATOM 0 HG22 VAL A 30 14.684 7.065 4.298 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.570 5.696 4.071 1.00 0.00 H new ATOM 383 N THR A 31 16.998 2.664 3.259 1.00 0.00 N ATOM 384 CA THR A 31 18.034 1.642 3.321 1.00 0.00 C ATOM 385 C THR A 31 18.170 0.915 1.988 1.00 0.00 C ATOM 386 O THR A 31 17.246 0.879 1.176 1.00 0.00 O ATOM 387 CB THR A 31 17.741 0.611 4.428 1.00 0.00 C ATOM 388 OG1 THR A 31 16.347 0.285 4.437 1.00 0.00 O ATOM 389 CG2 THR A 31 18.150 1.149 5.791 1.00 0.00 C ATOM 0 H THR A 31 16.062 2.304 3.072 1.00 0.00 H new ATOM 0 HA THR A 31 18.969 2.154 3.550 1.00 0.00 H new ATOM 0 HB THR A 31 18.323 -0.287 4.220 1.00 0.00 H new ATOM 0 HG1 THR A 31 16.169 -0.372 5.142 1.00 0.00 H new ATOM 0 HG21 THR A 31 17.934 0.404 6.556 1.00 0.00 H new ATOM 0 HG22 THR A 31 19.218 1.369 5.790 1.00 0.00 H new ATOM 0 HG23 THR A 31 17.592 2.061 6.005 1.00 0.00 H new ATOM 397 N PRO A 32 19.350 0.320 1.755 1.00 0.00 N ATOM 398 CA PRO A 32 19.634 -0.419 0.521 1.00 0.00 C ATOM 399 C PRO A 32 18.848 -1.722 0.432 1.00 0.00 C ATOM 400 O PRO A 32 18.945 -2.450 -0.555 1.00 0.00 O ATOM 401 CB PRO A 32 21.134 -0.705 0.617 1.00 0.00 C ATOM 402 CG PRO A 32 21.431 -0.690 2.077 1.00 0.00 C ATOM 403 CD PRO A 32 20.497 0.322 2.679 1.00 0.00 C ATOM 0 HA PRO A 32 19.350 0.145 -0.367 1.00 0.00 H new ATOM 0 HB2 PRO A 32 21.382 -1.669 0.173 1.00 0.00 H new ATOM 0 HB3 PRO A 32 21.715 0.050 0.087 1.00 0.00 H new ATOM 0 HG2 PRO A 32 21.275 -1.675 2.517 1.00 0.00 H new ATOM 0 HG3 PRO A 32 22.471 -0.419 2.261 1.00 0.00 H new ATOM 0 HD2 PRO A 32 20.199 0.043 3.690 1.00 0.00 H new ATOM 0 HD3 PRO A 32 20.959 1.307 2.744 1.00 0.00 H new ATOM 411 N ALA A 33 18.068 -2.010 1.469 1.00 0.00 N ATOM 412 CA ALA A 33 17.263 -3.225 1.506 1.00 0.00 C ATOM 413 C ALA A 33 15.775 -2.899 1.447 1.00 0.00 C ATOM 414 O ALA A 33 14.929 -3.782 1.589 1.00 0.00 O ATOM 415 CB ALA A 33 17.580 -4.030 2.758 1.00 0.00 C ATOM 0 H ALA A 33 17.977 -1.418 2.295 1.00 0.00 H new ATOM 0 HA ALA A 33 17.512 -3.824 0.630 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.972 -4.934 2.773 1.00 0.00 H new ATOM 0 HB2 ALA A 33 18.635 -4.302 2.758 1.00 0.00 H new ATOM 0 HB3 ALA A 33 17.360 -3.431 3.641 1.00 0.00 H new ATOM 421 N THR A 34 15.460 -1.624 1.236 1.00 0.00 N ATOM 422 CA THR A 34 14.074 -1.182 1.160 1.00 0.00 C ATOM 423 C THR A 34 13.874 -0.194 0.017 1.00 0.00 C ATOM 424 O THR A 34 14.839 0.260 -0.600 1.00 0.00 O ATOM 425 CB THR A 34 13.621 -0.523 2.477 1.00 0.00 C ATOM 426 OG1 THR A 34 14.358 0.684 2.700 1.00 0.00 O ATOM 427 CG2 THR A 34 13.821 -1.469 3.652 1.00 0.00 C ATOM 0 H THR A 34 16.147 -0.880 1.115 1.00 0.00 H new ATOM 0 HA THR A 34 13.469 -2.070 0.980 1.00 0.00 H new ATOM 0 HB THR A 34 12.559 -0.290 2.394 1.00 0.00 H new ATOM 0 HG1 THR A 34 14.853 0.614 3.543 1.00 0.00 H new ATOM 0 HG21 THR A 34 13.494 -0.982 4.571 1.00 0.00 H new ATOM 0 HG22 THR A 34 13.236 -2.375 3.493 1.00 0.00 H new ATOM 0 HG23 THR A 34 14.876 -1.729 3.735 1.00 0.00 H new ATOM 435 N ILE A 35 12.617 0.136 -0.261 1.00 0.00 N ATOM 436 CA ILE A 35 12.292 1.072 -1.330 1.00 0.00 C ATOM 437 C ILE A 35 11.244 2.082 -0.877 1.00 0.00 C ATOM 438 O ILE A 35 10.634 1.926 0.182 1.00 0.00 O ATOM 439 CB ILE A 35 11.775 0.339 -2.582 1.00 0.00 C ATOM 440 CG1 ILE A 35 10.717 -0.695 -2.194 1.00 0.00 C ATOM 441 CG2 ILE A 35 12.927 -0.326 -3.320 1.00 0.00 C ATOM 442 CD1 ILE A 35 9.742 -1.010 -3.307 1.00 0.00 C ATOM 0 H ILE A 35 11.807 -0.231 0.239 1.00 0.00 H new ATOM 0 HA ILE A 35 13.214 1.597 -1.581 1.00 0.00 H new ATOM 0 HB ILE A 35 11.315 1.069 -3.248 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.215 -1.615 -1.887 1.00 0.00 H new ATOM 0 HG13 ILE A 35 10.163 -0.329 -1.330 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.546 -0.840 -4.202 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.649 0.431 -3.625 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.413 -1.047 -2.662 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.021 -1.750 -2.960 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.217 -0.101 -3.599 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.285 -1.406 -4.165 1.00 0.00 H new ATOM 454 N ARG A 36 11.037 3.116 -1.686 1.00 0.00 N ATOM 455 CA ARG A 36 10.061 4.151 -1.368 1.00 0.00 C ATOM 456 C ARG A 36 8.960 4.202 -2.423 1.00 0.00 C ATOM 457 O ARG A 36 9.155 4.738 -3.514 1.00 0.00 O ATOM 458 CB ARG A 36 10.748 5.515 -1.265 1.00 0.00 C ATOM 459 CG ARG A 36 9.843 6.613 -0.732 1.00 0.00 C ATOM 460 CD ARG A 36 10.648 7.782 -0.185 1.00 0.00 C ATOM 461 NE ARG A 36 10.975 8.755 -1.223 1.00 0.00 N ATOM 462 CZ ARG A 36 11.249 10.031 -0.975 1.00 0.00 C ATOM 463 NH1 ARG A 36 11.235 10.485 0.271 1.00 0.00 N ATOM 464 NH2 ARG A 36 11.537 10.856 -1.973 1.00 0.00 N ATOM 0 H ARG A 36 11.532 3.259 -2.566 1.00 0.00 H new ATOM 0 HA ARG A 36 9.608 3.906 -0.407 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.619 5.426 -0.615 1.00 0.00 H new ATOM 0 HB3 ARG A 36 11.114 5.804 -2.250 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.186 6.963 -1.528 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.204 6.210 0.054 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.082 8.273 0.607 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.568 7.409 0.265 1.00 0.00 H new ATOM 0 HE ARG A 36 10.994 8.438 -2.192 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.014 9.854 1.041 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.446 11.465 0.459 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.548 10.511 -2.933 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.747 11.835 -1.781 1.00 0.00 H new ATOM 478 N VAL A 37 7.802 3.640 -2.090 1.00 0.00 N ATOM 479 CA VAL A 37 6.669 3.622 -3.007 1.00 0.00 C ATOM 480 C VAL A 37 5.890 4.931 -2.945 1.00 0.00 C ATOM 481 O VAL A 37 5.086 5.144 -2.037 1.00 0.00 O ATOM 482 CB VAL A 37 5.715 2.453 -2.698 1.00 0.00 C ATOM 483 CG1 VAL A 37 4.758 2.223 -3.857 1.00 0.00 C ATOM 484 CG2 VAL A 37 6.503 1.190 -2.387 1.00 0.00 C ATOM 0 H VAL A 37 7.624 3.191 -1.192 1.00 0.00 H new ATOM 0 HA VAL A 37 7.076 3.493 -4.010 1.00 0.00 H new ATOM 0 HB VAL A 37 5.126 2.711 -1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.092 1.393 -3.620 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.169 3.124 -4.027 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.326 1.986 -4.757 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.813 0.374 -2.171 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.120 0.925 -3.246 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.142 1.364 -1.521 1.00 0.00 H new ATOM 494 N SER A 38 6.133 5.805 -3.916 1.00 0.00 N ATOM 495 CA SER A 38 5.456 7.096 -3.970 1.00 0.00 C ATOM 496 C SER A 38 4.205 7.017 -4.839 1.00 0.00 C ATOM 497 O SER A 38 4.190 6.334 -5.864 1.00 0.00 O ATOM 498 CB SER A 38 6.402 8.169 -4.512 1.00 0.00 C ATOM 499 OG SER A 38 7.621 8.187 -3.790 1.00 0.00 O ATOM 0 H SER A 38 6.794 5.643 -4.676 1.00 0.00 H new ATOM 0 HA SER A 38 5.156 7.365 -2.957 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.603 7.981 -5.567 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.923 9.146 -4.448 1.00 0.00 H new ATOM 0 HG SER A 38 8.208 8.880 -4.157 1.00 0.00 H new ATOM 505 N TRP A 39 3.158 7.721 -4.423 1.00 0.00 N ATOM 506 CA TRP A 39 1.902 7.731 -5.164 1.00 0.00 C ATOM 507 C TRP A 39 1.155 9.043 -4.949 1.00 0.00 C ATOM 508 O TRP A 39 1.653 9.950 -4.282 1.00 0.00 O ATOM 509 CB TRP A 39 1.024 6.554 -4.736 1.00 0.00 C ATOM 510 CG TRP A 39 0.684 6.567 -3.276 1.00 0.00 C ATOM 511 CD1 TRP A 39 -0.236 7.364 -2.656 1.00 0.00 C ATOM 512 CD2 TRP A 39 1.261 5.746 -2.254 1.00 0.00 C ATOM 513 NE1 TRP A 39 -0.265 7.088 -1.310 1.00 0.00 N ATOM 514 CE2 TRP A 39 0.643 6.099 -1.038 1.00 0.00 C ATOM 515 CE3 TRP A 39 2.237 4.747 -2.249 1.00 0.00 C ATOM 516 CZ2 TRP A 39 0.973 5.487 0.168 1.00 0.00 C ATOM 517 CZ3 TRP A 39 2.564 4.141 -1.050 1.00 0.00 C ATOM 518 CH2 TRP A 39 1.932 4.512 0.145 1.00 0.00 C ATOM 0 H TRP A 39 3.154 8.292 -3.578 1.00 0.00 H new ATOM 0 HA TRP A 39 2.133 7.635 -6.225 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.102 6.568 -5.317 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.537 5.622 -4.974 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -0.850 8.102 -3.151 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -0.866 7.546 -0.624 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.727 4.453 -3.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 0.488 5.772 1.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.319 3.369 -1.034 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.208 4.018 1.065 1.00 0.00 H new ATOM 529 N ARG A 40 -0.042 9.137 -5.518 1.00 0.00 N ATOM 530 CA ARG A 40 -0.857 10.339 -5.390 1.00 0.00 C ATOM 531 C ARG A 40 -2.199 10.019 -4.737 1.00 0.00 C ATOM 532 O ARG A 40 -3.089 9.428 -5.348 1.00 0.00 O ATOM 533 CB ARG A 40 -1.085 10.976 -6.762 1.00 0.00 C ATOM 534 CG ARG A 40 0.035 11.909 -7.193 1.00 0.00 C ATOM 535 CD ARG A 40 0.022 13.202 -6.393 1.00 0.00 C ATOM 536 NE ARG A 40 -1.172 13.999 -6.661 1.00 0.00 N ATOM 537 CZ ARG A 40 -1.351 15.233 -6.202 1.00 0.00 C ATOM 538 NH1 ARG A 40 -0.417 15.808 -5.457 1.00 0.00 N ATOM 539 NH2 ARG A 40 -2.465 15.894 -6.489 1.00 0.00 N ATOM 0 H ARG A 40 -0.469 8.395 -6.072 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.321 11.044 -4.754 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.196 10.187 -7.506 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.023 11.531 -6.744 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.995 11.410 -7.064 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.067 12.136 -8.254 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.072 12.971 -5.329 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.910 13.787 -6.634 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.909 13.586 -7.232 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.441 15.303 -5.235 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.556 16.755 -5.106 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.185 15.455 -7.063 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.601 16.841 -6.136 1.00 0.00 H new ATOM 553 N PRO A 41 -2.348 10.418 -3.465 1.00 0.00 N ATOM 554 CA PRO A 41 -3.578 10.185 -2.702 1.00 0.00 C ATOM 555 C PRO A 41 -4.743 11.030 -3.206 1.00 0.00 C ATOM 556 O PRO A 41 -4.629 12.242 -3.389 1.00 0.00 O ATOM 557 CB PRO A 41 -3.195 10.598 -1.278 1.00 0.00 C ATOM 558 CG PRO A 41 -2.084 11.574 -1.453 1.00 0.00 C ATOM 559 CD PRO A 41 -1.329 11.128 -2.674 1.00 0.00 C ATOM 0 HA PRO A 41 -3.919 9.153 -2.785 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -4.039 11.048 -0.756 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.877 9.738 -0.688 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.470 12.585 -1.581 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.436 11.588 -0.577 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.914 11.974 -3.221 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.495 10.476 -2.415 1.00 0.00 H new ATOM 567 N PRO A 42 -5.891 10.377 -3.438 1.00 0.00 N ATOM 568 CA PRO A 42 -7.100 11.049 -3.924 1.00 0.00 C ATOM 569 C PRO A 42 -7.718 11.963 -2.872 1.00 0.00 C ATOM 570 O PRO A 42 -7.730 11.640 -1.684 1.00 0.00 O ATOM 571 CB PRO A 42 -8.045 9.889 -4.247 1.00 0.00 C ATOM 572 CG PRO A 42 -7.589 8.773 -3.372 1.00 0.00 C ATOM 573 CD PRO A 42 -6.099 8.932 -3.243 1.00 0.00 C ATOM 0 HA PRO A 42 -6.892 11.697 -4.776 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.082 10.154 -4.042 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.989 9.614 -5.300 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -8.073 8.819 -2.396 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -7.842 7.807 -3.808 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.743 8.603 -2.267 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.566 8.345 -3.991 1.00 0.00 H new ATOM 581 N VAL A 43 -8.230 13.107 -3.315 1.00 0.00 N ATOM 582 CA VAL A 43 -8.852 14.067 -2.411 1.00 0.00 C ATOM 583 C VAL A 43 -9.783 13.371 -1.425 1.00 0.00 C ATOM 584 O VAL A 43 -10.543 12.477 -1.798 1.00 0.00 O ATOM 585 CB VAL A 43 -9.648 15.134 -3.187 1.00 0.00 C ATOM 586 CG1 VAL A 43 -10.275 16.134 -2.228 1.00 0.00 C ATOM 587 CG2 VAL A 43 -8.752 15.838 -4.195 1.00 0.00 C ATOM 0 H VAL A 43 -8.226 13.391 -4.295 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.045 14.553 -1.862 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.451 14.639 -3.733 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -10.833 16.880 -2.794 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.950 15.613 -1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.491 16.627 -1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.330 16.588 -4.734 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.927 16.322 -3.673 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.356 15.109 -4.901 1.00 0.00 H new ATOM 597 N LEU A 44 -9.719 13.788 -0.165 1.00 0.00 N ATOM 598 CA LEU A 44 -10.557 13.205 0.877 1.00 0.00 C ATOM 599 C LEU A 44 -11.586 14.214 1.376 1.00 0.00 C ATOM 600 O LEU A 44 -11.249 15.356 1.691 1.00 0.00 O ATOM 601 CB LEU A 44 -9.693 12.720 2.042 1.00 0.00 C ATOM 602 CG LEU A 44 -8.784 11.525 1.752 1.00 0.00 C ATOM 603 CD1 LEU A 44 -7.917 11.208 2.961 1.00 0.00 C ATOM 604 CD2 LEU A 44 -9.610 10.311 1.353 1.00 0.00 C ATOM 0 H LEU A 44 -9.096 14.527 0.160 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.088 12.355 0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.072 13.550 2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.350 12.458 2.871 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.130 11.784 0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.277 10.355 2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.298 12.072 3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.554 10.969 3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.947 9.470 1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.289 10.050 2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.187 10.542 0.458 1.00 0.00 H new ATOM 616 N THR A 45 -12.842 13.785 1.449 1.00 0.00 N ATOM 617 CA THR A 45 -13.920 14.650 1.912 1.00 0.00 C ATOM 618 C THR A 45 -13.450 15.555 3.045 1.00 0.00 C ATOM 619 O THR A 45 -12.472 15.268 3.736 1.00 0.00 O ATOM 620 CB THR A 45 -15.131 13.829 2.393 1.00 0.00 C ATOM 621 OG1 THR A 45 -14.709 12.842 3.341 1.00 0.00 O ATOM 622 CG2 THR A 45 -15.825 13.151 1.222 1.00 0.00 C ATOM 0 H THR A 45 -13.138 12.843 1.193 1.00 0.00 H new ATOM 0 HA THR A 45 -14.221 15.263 1.063 1.00 0.00 H new ATOM 0 HB THR A 45 -15.837 14.510 2.868 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.115 13.031 4.213 1.00 0.00 H new ATOM 0 HG21 THR A 45 -16.677 12.577 1.587 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.172 13.907 0.517 1.00 0.00 H new ATOM 0 HG23 THR A 45 -15.125 12.482 0.722 1.00 0.00 H new ATOM 630 N PRO A 46 -14.163 16.674 3.244 1.00 0.00 N ATOM 631 CA PRO A 46 -13.838 17.643 4.295 1.00 0.00 C ATOM 632 C PRO A 46 -14.118 17.099 5.692 1.00 0.00 C ATOM 633 O PRO A 46 -14.172 17.853 6.664 1.00 0.00 O ATOM 634 CB PRO A 46 -14.761 18.824 3.985 1.00 0.00 C ATOM 635 CG PRO A 46 -15.909 18.225 3.248 1.00 0.00 C ATOM 636 CD PRO A 46 -15.341 17.078 2.459 1.00 0.00 C ATOM 0 HA PRO A 46 -12.779 17.901 4.299 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -15.092 19.318 4.898 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.252 19.576 3.382 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -16.679 17.880 3.938 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.376 18.958 2.590 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.058 16.263 2.362 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.066 17.382 1.449 1.00 0.00 H new ATOM 644 N THR A 47 -14.296 15.785 5.786 1.00 0.00 N ATOM 645 CA THR A 47 -14.571 15.141 7.064 1.00 0.00 C ATOM 646 C THR A 47 -13.600 13.995 7.322 1.00 0.00 C ATOM 647 O THR A 47 -13.467 13.524 8.451 1.00 0.00 O ATOM 648 CB THR A 47 -16.013 14.600 7.121 1.00 0.00 C ATOM 649 OG1 THR A 47 -16.260 13.745 5.999 1.00 0.00 O ATOM 650 CG2 THR A 47 -17.019 15.740 7.128 1.00 0.00 C ATOM 0 H THR A 47 -14.255 15.146 4.992 1.00 0.00 H new ATOM 0 HA THR A 47 -14.445 15.901 7.835 1.00 0.00 H new ATOM 0 HB THR A 47 -16.128 14.030 8.043 1.00 0.00 H new ATOM 0 HG1 THR A 47 -17.178 13.404 6.043 1.00 0.00 H new ATOM 0 HG21 THR A 47 -18.029 15.333 7.169 1.00 0.00 H new ATOM 0 HG22 THR A 47 -16.847 16.372 7.999 1.00 0.00 H new ATOM 0 HG23 THR A 47 -16.903 16.333 6.221 1.00 0.00 H new ATOM 658 N GLY A 48 -12.922 13.550 6.268 1.00 0.00 N ATOM 659 CA GLY A 48 -11.970 12.463 6.403 1.00 0.00 C ATOM 660 C GLY A 48 -12.481 11.168 5.803 1.00 0.00 C ATOM 661 O GLY A 48 -12.561 10.147 6.488 1.00 0.00 O ATOM 0 H GLY A 48 -13.015 13.923 5.323 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.035 12.741 5.917 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.747 12.308 7.459 1.00 0.00 H new ATOM 665 N LEU A 49 -12.829 11.208 4.522 1.00 0.00 N ATOM 666 CA LEU A 49 -13.337 10.028 3.830 1.00 0.00 C ATOM 667 C LEU A 49 -13.080 10.125 2.329 1.00 0.00 C ATOM 668 O LEU A 49 -13.327 11.162 1.713 1.00 0.00 O ATOM 669 CB LEU A 49 -14.835 9.864 4.093 1.00 0.00 C ATOM 670 CG LEU A 49 -15.274 9.957 5.555 1.00 0.00 C ATOM 671 CD1 LEU A 49 -16.772 10.196 5.648 1.00 0.00 C ATOM 672 CD2 LEU A 49 -14.885 8.694 6.310 1.00 0.00 C ATOM 0 H LEU A 49 -12.769 12.044 3.941 1.00 0.00 H new ATOM 0 HA LEU A 49 -12.809 9.155 4.215 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -15.369 10.626 3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.149 8.896 3.701 1.00 0.00 H new ATOM 0 HG LEU A 49 -14.763 10.803 6.015 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -17.066 10.259 6.696 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -17.024 11.129 5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -17.302 9.371 5.172 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.205 8.778 7.349 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.368 7.832 5.850 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -13.803 8.567 6.273 1.00 0.00 H new ATOM 684 N SER A 50 -12.586 9.037 1.747 1.00 0.00 N ATOM 685 CA SER A 50 -12.294 8.999 0.319 1.00 0.00 C ATOM 686 C SER A 50 -13.548 8.663 -0.482 1.00 0.00 C ATOM 687 O SER A 50 -14.119 9.523 -1.152 1.00 0.00 O ATOM 688 CB SER A 50 -11.198 7.973 0.027 1.00 0.00 C ATOM 689 OG SER A 50 -10.729 8.092 -1.304 1.00 0.00 O ATOM 0 H SER A 50 -12.380 8.170 2.243 1.00 0.00 H new ATOM 0 HA SER A 50 -11.945 9.987 0.018 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.370 8.114 0.722 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.584 6.967 0.191 1.00 0.00 H new ATOM 0 HG SER A 50 -9.926 7.542 -1.418 1.00 0.00 H new ATOM 695 N ASN A 51 -13.971 7.405 -0.408 1.00 0.00 N ATOM 696 CA ASN A 51 -15.157 6.954 -1.127 1.00 0.00 C ATOM 697 C ASN A 51 -16.258 6.541 -0.155 1.00 0.00 C ATOM 698 O ASN A 51 -17.020 5.613 -0.421 1.00 0.00 O ATOM 699 CB ASN A 51 -14.806 5.781 -2.045 1.00 0.00 C ATOM 700 CG ASN A 51 -15.971 5.366 -2.923 1.00 0.00 C ATOM 701 OD1 ASN A 51 -17.055 5.946 -2.851 1.00 0.00 O ATOM 702 ND2 ASN A 51 -15.753 4.356 -3.757 1.00 0.00 N ATOM 0 H ASN A 51 -13.510 6.680 0.142 1.00 0.00 H new ATOM 0 HA ASN A 51 -15.523 7.784 -1.732 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -13.960 6.056 -2.675 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -14.490 4.931 -1.440 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -16.500 4.032 -4.371 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -14.839 3.904 -3.783 1.00 0.00 H new ATOM 709 N GLY A 52 -16.335 7.240 0.974 1.00 0.00 N ATOM 710 CA GLY A 52 -17.346 6.932 1.969 1.00 0.00 C ATOM 711 C GLY A 52 -16.776 6.201 3.168 1.00 0.00 C ATOM 712 O GLY A 52 -17.397 6.157 4.230 1.00 0.00 O ATOM 0 H GLY A 52 -15.716 8.013 1.217 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -17.817 7.857 2.302 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -18.126 6.323 1.513 1.00 0.00 H new ATOM 716 N ALA A 53 -15.591 5.624 2.999 1.00 0.00 N ATOM 717 CA ALA A 53 -14.937 4.892 4.076 1.00 0.00 C ATOM 718 C ALA A 53 -13.900 5.761 4.781 1.00 0.00 C ATOM 719 O ALA A 53 -13.367 6.703 4.197 1.00 0.00 O ATOM 720 CB ALA A 53 -14.288 3.626 3.536 1.00 0.00 C ATOM 0 H ALA A 53 -15.064 5.649 2.126 1.00 0.00 H new ATOM 0 HA ALA A 53 -15.697 4.615 4.806 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.803 3.089 4.352 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.050 2.990 3.086 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.545 3.890 2.784 1.00 0.00 H new ATOM 726 N ASN A 54 -13.621 5.438 6.040 1.00 0.00 N ATOM 727 CA ASN A 54 -12.649 6.191 6.824 1.00 0.00 C ATOM 728 C ASN A 54 -11.228 5.725 6.522 1.00 0.00 C ATOM 729 O ASN A 54 -10.800 4.667 6.981 1.00 0.00 O ATOM 730 CB ASN A 54 -12.941 6.039 8.318 1.00 0.00 C ATOM 731 CG ASN A 54 -12.541 7.267 9.114 1.00 0.00 C ATOM 732 OD1 ASN A 54 -13.311 7.766 9.934 1.00 0.00 O ATOM 733 ND2 ASN A 54 -11.332 7.759 8.873 1.00 0.00 N ATOM 0 H ASN A 54 -14.054 4.661 6.538 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.733 7.242 6.549 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.005 5.848 8.460 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -12.407 5.170 8.703 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -11.007 8.584 9.377 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -10.727 7.312 8.184 1.00 0.00 H new ATOM 740 N VAL A 55 -10.502 6.524 5.746 1.00 0.00 N ATOM 741 CA VAL A 55 -9.128 6.195 5.384 1.00 0.00 C ATOM 742 C VAL A 55 -8.178 6.439 6.551 1.00 0.00 C ATOM 743 O VAL A 55 -7.969 7.579 6.968 1.00 0.00 O ATOM 744 CB VAL A 55 -8.656 7.017 4.170 1.00 0.00 C ATOM 745 CG1 VAL A 55 -7.276 6.561 3.721 1.00 0.00 C ATOM 746 CG2 VAL A 55 -9.659 6.911 3.032 1.00 0.00 C ATOM 0 H VAL A 55 -10.842 7.403 5.356 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.114 5.136 5.124 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.588 8.064 4.466 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.959 7.153 2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.565 6.695 4.537 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.314 5.508 3.442 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.309 7.498 2.183 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.762 5.868 2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.626 7.291 3.362 1.00 0.00 H new ATOM 756 N THR A 56 -7.604 5.361 7.075 1.00 0.00 N ATOM 757 CA THR A 56 -6.676 5.458 8.195 1.00 0.00 C ATOM 758 C THR A 56 -5.246 5.171 7.750 1.00 0.00 C ATOM 759 O THR A 56 -4.336 5.083 8.573 1.00 0.00 O ATOM 760 CB THR A 56 -7.056 4.482 9.325 1.00 0.00 C ATOM 761 OG1 THR A 56 -6.770 3.136 8.927 1.00 0.00 O ATOM 762 CG2 THR A 56 -8.530 4.610 9.678 1.00 0.00 C ATOM 0 H THR A 56 -7.765 4.411 6.742 1.00 0.00 H new ATOM 0 HA THR A 56 -6.739 6.479 8.571 1.00 0.00 H new ATOM 0 HB THR A 56 -6.465 4.733 10.206 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.013 2.522 9.651 1.00 0.00 H new ATOM 0 HG21 THR A 56 -8.775 3.911 10.478 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.738 5.628 10.009 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.135 4.383 8.800 1.00 0.00 H new ATOM 770 N GLY A 57 -5.055 5.027 6.442 1.00 0.00 N ATOM 771 CA GLY A 57 -3.733 4.752 5.912 1.00 0.00 C ATOM 772 C GLY A 57 -3.778 3.926 4.642 1.00 0.00 C ATOM 773 O GLY A 57 -4.854 3.659 4.104 1.00 0.00 O ATOM 0 H GLY A 57 -5.792 5.096 5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.222 5.694 5.711 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.146 4.225 6.664 1.00 0.00 H new ATOM 777 N TYR A 58 -2.609 3.521 4.159 1.00 0.00 N ATOM 778 CA TYR A 58 -2.519 2.724 2.941 1.00 0.00 C ATOM 779 C TYR A 58 -1.836 1.388 3.215 1.00 0.00 C ATOM 780 O TYR A 58 -1.340 1.144 4.314 1.00 0.00 O ATOM 781 CB TYR A 58 -1.753 3.489 1.861 1.00 0.00 C ATOM 782 CG TYR A 58 -2.484 4.710 1.350 1.00 0.00 C ATOM 783 CD1 TYR A 58 -3.434 4.604 0.342 1.00 0.00 C ATOM 784 CD2 TYR A 58 -2.224 5.970 1.875 1.00 0.00 C ATOM 785 CE1 TYR A 58 -4.104 5.716 -0.129 1.00 0.00 C ATOM 786 CE2 TYR A 58 -2.891 7.088 1.412 1.00 0.00 C ATOM 787 CZ TYR A 58 -3.829 6.956 0.409 1.00 0.00 C ATOM 788 OH TYR A 58 -4.494 8.067 -0.056 1.00 0.00 O ATOM 0 H TYR A 58 -1.710 3.731 4.592 1.00 0.00 H new ATOM 0 HA TYR A 58 -3.532 2.529 2.589 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.786 3.795 2.261 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -1.554 2.819 1.025 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -3.653 3.635 -0.081 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.488 6.077 2.658 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.839 5.615 -0.914 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -2.679 8.060 1.833 1.00 0.00 H new ATOM 0 HH TYR A 58 -4.563 8.731 0.661 1.00 0.00 H new ATOM 798 N GLY A 59 -1.813 0.524 2.204 1.00 0.00 N ATOM 799 CA GLY A 59 -1.189 -0.777 2.354 1.00 0.00 C ATOM 800 C GLY A 59 -0.512 -1.245 1.081 1.00 0.00 C ATOM 801 O GLY A 59 -1.103 -1.200 0.002 1.00 0.00 O ATOM 0 H GLY A 59 -2.216 0.703 1.284 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.454 -0.734 3.158 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.943 -1.506 2.650 1.00 0.00 H new ATOM 805 N VAL A 60 0.733 -1.696 1.205 1.00 0.00 N ATOM 806 CA VAL A 60 1.491 -2.173 0.056 1.00 0.00 C ATOM 807 C VAL A 60 1.458 -3.695 -0.031 1.00 0.00 C ATOM 808 O VAL A 60 1.517 -4.387 0.986 1.00 0.00 O ATOM 809 CB VAL A 60 2.958 -1.706 0.117 1.00 0.00 C ATOM 810 CG1 VAL A 60 3.671 -2.012 -1.191 1.00 0.00 C ATOM 811 CG2 VAL A 60 3.030 -0.221 0.438 1.00 0.00 C ATOM 0 H VAL A 60 1.237 -1.741 2.091 1.00 0.00 H new ATOM 0 HA VAL A 60 1.019 -1.750 -0.831 1.00 0.00 H new ATOM 0 HB VAL A 60 3.463 -2.252 0.914 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.706 -1.675 -1.129 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.650 -3.086 -1.374 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.169 -1.494 -2.009 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.073 0.093 0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.510 0.344 -0.336 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.558 -0.034 1.403 1.00 0.00 H new ATOM 821 N TYR A 61 1.364 -4.211 -1.251 1.00 0.00 N ATOM 822 CA TYR A 61 1.320 -5.651 -1.471 1.00 0.00 C ATOM 823 C TYR A 61 2.204 -6.049 -2.650 1.00 0.00 C ATOM 824 O TYR A 61 2.371 -5.286 -3.600 1.00 0.00 O ATOM 825 CB TYR A 61 -0.118 -6.107 -1.721 1.00 0.00 C ATOM 826 CG TYR A 61 -1.019 -5.958 -0.516 1.00 0.00 C ATOM 827 CD1 TYR A 61 -1.537 -4.719 -0.161 1.00 0.00 C ATOM 828 CD2 TYR A 61 -1.352 -7.056 0.267 1.00 0.00 C ATOM 829 CE1 TYR A 61 -2.360 -4.577 0.940 1.00 0.00 C ATOM 830 CE2 TYR A 61 -2.176 -6.924 1.368 1.00 0.00 C ATOM 831 CZ TYR A 61 -2.676 -5.683 1.701 1.00 0.00 C ATOM 832 OH TYR A 61 -3.497 -5.546 2.797 1.00 0.00 O ATOM 0 H TYR A 61 1.317 -3.653 -2.103 1.00 0.00 H new ATOM 0 HA TYR A 61 1.698 -6.141 -0.574 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.534 -5.532 -2.548 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.110 -7.152 -2.031 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.292 -3.851 -0.756 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.960 -8.029 0.011 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.753 -3.606 1.203 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -2.427 -7.788 1.965 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.622 -6.419 3.223 1.00 0.00 H new ATOM 842 N ALA A 62 2.768 -7.251 -2.579 1.00 0.00 N ATOM 843 CA ALA A 62 3.632 -7.753 -3.639 1.00 0.00 C ATOM 844 C ALA A 62 2.997 -8.944 -4.348 1.00 0.00 C ATOM 845 O ALA A 62 2.498 -8.821 -5.467 1.00 0.00 O ATOM 846 CB ALA A 62 4.992 -8.136 -3.075 1.00 0.00 C ATOM 0 H ALA A 62 2.641 -7.895 -1.798 1.00 0.00 H new ATOM 0 HA ALA A 62 3.766 -6.957 -4.371 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.627 -8.509 -3.878 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.457 -7.261 -2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.867 -8.913 -2.320 1.00 0.00 H new ATOM 852 N LYS A 63 3.018 -10.098 -3.690 1.00 0.00 N ATOM 853 CA LYS A 63 2.444 -11.313 -4.255 1.00 0.00 C ATOM 854 C LYS A 63 1.307 -11.835 -3.383 1.00 0.00 C ATOM 855 O LYS A 63 1.273 -13.013 -3.029 1.00 0.00 O ATOM 856 CB LYS A 63 3.521 -12.390 -4.405 1.00 0.00 C ATOM 857 CG LYS A 63 4.631 -12.009 -5.370 1.00 0.00 C ATOM 858 CD LYS A 63 4.285 -12.396 -6.798 1.00 0.00 C ATOM 859 CE LYS A 63 3.556 -11.272 -7.518 1.00 0.00 C ATOM 860 NZ LYS A 63 3.695 -11.379 -8.997 1.00 0.00 N ATOM 0 H LYS A 63 3.427 -10.217 -2.763 1.00 0.00 H new ATOM 0 HA LYS A 63 2.042 -11.070 -5.239 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.956 -12.596 -3.427 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.054 -13.314 -4.747 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.809 -10.935 -5.316 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.557 -12.501 -5.073 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.197 -12.645 -7.340 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.662 -13.291 -6.793 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.500 -11.294 -7.250 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.950 -10.312 -7.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.184 -10.595 -9.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.701 -11.333 -9.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.296 -12.284 -9.319 1.00 0.00 H new ATOM 874 N GLY A 64 0.376 -10.950 -3.039 1.00 0.00 N ATOM 875 CA GLY A 64 -0.751 -11.341 -2.212 1.00 0.00 C ATOM 876 C GLY A 64 -0.406 -11.363 -0.736 1.00 0.00 C ATOM 877 O GLY A 64 -1.142 -11.931 0.071 1.00 0.00 O ATOM 0 H GLY A 64 0.382 -9.969 -3.318 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.577 -10.650 -2.379 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.096 -12.329 -2.516 1.00 0.00 H new ATOM 881 N GLN A 65 0.717 -10.746 -0.383 1.00 0.00 N ATOM 882 CA GLN A 65 1.159 -10.701 1.006 1.00 0.00 C ATOM 883 C GLN A 65 1.580 -9.288 1.397 1.00 0.00 C ATOM 884 O GLN A 65 2.576 -8.766 0.896 1.00 0.00 O ATOM 885 CB GLN A 65 2.321 -11.671 1.226 1.00 0.00 C ATOM 886 CG GLN A 65 1.948 -13.128 1.000 1.00 0.00 C ATOM 887 CD GLN A 65 2.909 -14.087 1.674 1.00 0.00 C ATOM 888 OE1 GLN A 65 3.257 -13.917 2.842 1.00 0.00 O ATOM 889 NE2 GLN A 65 3.343 -15.104 0.938 1.00 0.00 N ATOM 0 H GLN A 65 1.337 -10.271 -1.039 1.00 0.00 H new ATOM 0 HA GLN A 65 0.322 -11.000 1.637 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.137 -11.405 0.555 1.00 0.00 H new ATOM 0 HB3 GLN A 65 2.694 -11.554 2.243 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.941 -13.304 1.377 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.928 -13.332 -0.071 1.00 0.00 H new ATOM 0 HE21 GLN A 65 3.028 -15.206 -0.027 1.00 0.00 H new ATOM 0 HE22 GLN A 65 3.991 -15.783 1.338 1.00 0.00 H new ATOM 898 N ARG A 66 0.815 -8.675 2.294 1.00 0.00 N ATOM 899 CA ARG A 66 1.108 -7.322 2.751 1.00 0.00 C ATOM 900 C ARG A 66 2.577 -7.187 3.144 1.00 0.00 C ATOM 901 O ARG A 66 3.037 -7.820 4.093 1.00 0.00 O ATOM 902 CB ARG A 66 0.216 -6.957 3.939 1.00 0.00 C ATOM 903 CG ARG A 66 0.145 -5.464 4.212 1.00 0.00 C ATOM 904 CD ARG A 66 -0.218 -5.179 5.661 1.00 0.00 C ATOM 905 NE ARG A 66 0.759 -5.740 6.591 1.00 0.00 N ATOM 906 CZ ARG A 66 1.993 -5.270 6.731 1.00 0.00 C ATOM 907 NH1 ARG A 66 2.400 -4.237 6.007 1.00 0.00 N ATOM 908 NH2 ARG A 66 2.824 -5.835 7.598 1.00 0.00 N ATOM 0 H ARG A 66 -0.012 -9.094 2.719 1.00 0.00 H new ATOM 0 HA ARG A 66 0.905 -6.636 1.929 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.791 -7.332 3.755 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.587 -7.463 4.830 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.106 -5.004 3.979 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.594 -5.008 3.554 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.286 -4.102 5.813 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.203 -5.594 5.876 1.00 0.00 H new ATOM 0 HE ARG A 66 0.478 -6.536 7.164 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.765 -3.800 5.339 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.349 -3.879 6.118 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.515 -6.630 8.157 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.772 -5.474 7.705 1.00 0.00 H new ATOM 922 N VAL A 67 3.307 -6.356 2.406 1.00 0.00 N ATOM 923 CA VAL A 67 4.723 -6.137 2.677 1.00 0.00 C ATOM 924 C VAL A 67 4.931 -4.903 3.547 1.00 0.00 C ATOM 925 O VAL A 67 5.797 -4.887 4.421 1.00 0.00 O ATOM 926 CB VAL A 67 5.525 -5.974 1.372 1.00 0.00 C ATOM 927 CG1 VAL A 67 5.626 -7.302 0.637 1.00 0.00 C ATOM 928 CG2 VAL A 67 4.891 -4.912 0.487 1.00 0.00 C ATOM 0 H VAL A 67 2.941 -5.824 1.616 1.00 0.00 H new ATOM 0 HA VAL A 67 5.084 -7.017 3.209 1.00 0.00 H new ATOM 0 HB VAL A 67 6.534 -5.649 1.624 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.196 -7.167 -0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.129 -8.032 1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.626 -7.660 0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.470 -4.810 -0.431 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.870 -5.205 0.241 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.877 -3.959 1.015 1.00 0.00 H new ATOM 938 N ALA A 68 4.132 -3.871 3.301 1.00 0.00 N ATOM 939 CA ALA A 68 4.227 -2.632 4.063 1.00 0.00 C ATOM 940 C ALA A 68 2.849 -2.019 4.289 1.00 0.00 C ATOM 941 O ALA A 68 1.878 -2.395 3.632 1.00 0.00 O ATOM 942 CB ALA A 68 5.137 -1.642 3.352 1.00 0.00 C ATOM 0 H ALA A 68 3.411 -3.868 2.580 1.00 0.00 H new ATOM 0 HA ALA A 68 4.656 -2.867 5.037 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.198 -0.722 3.933 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.133 -2.073 3.249 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.733 -1.421 2.364 1.00 0.00 H new ATOM 948 N GLU A 69 2.771 -1.074 5.221 1.00 0.00 N ATOM 949 CA GLU A 69 1.511 -0.411 5.533 1.00 0.00 C ATOM 950 C GLU A 69 1.755 0.903 6.269 1.00 0.00 C ATOM 951 O GLU A 69 2.375 0.926 7.332 1.00 0.00 O ATOM 952 CB GLU A 69 0.624 -1.326 6.380 1.00 0.00 C ATOM 953 CG GLU A 69 1.099 -1.475 7.815 1.00 0.00 C ATOM 954 CD GLU A 69 0.686 -2.798 8.432 1.00 0.00 C ATOM 955 OE1 GLU A 69 -0.330 -3.369 7.983 1.00 0.00 O ATOM 956 OE2 GLU A 69 1.377 -3.260 9.363 1.00 0.00 O ATOM 0 H GLU A 69 3.566 -0.751 5.773 1.00 0.00 H new ATOM 0 HA GLU A 69 1.003 -0.192 4.594 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.393 -0.933 6.382 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.584 -2.311 5.915 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.185 -1.388 7.845 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.697 -0.658 8.414 1.00 0.00 H new ATOM 963 N VAL A 70 1.263 1.996 5.694 1.00 0.00 N ATOM 964 CA VAL A 70 1.427 3.315 6.295 1.00 0.00 C ATOM 965 C VAL A 70 0.117 3.810 6.898 1.00 0.00 C ATOM 966 O VAL A 70 -0.899 3.904 6.209 1.00 0.00 O ATOM 967 CB VAL A 70 1.925 4.344 5.262 1.00 0.00 C ATOM 968 CG1 VAL A 70 1.093 4.271 3.991 1.00 0.00 C ATOM 969 CG2 VAL A 70 1.894 5.746 5.851 1.00 0.00 C ATOM 0 H VAL A 70 0.748 1.994 4.814 1.00 0.00 H new ATOM 0 HA VAL A 70 2.172 3.214 7.084 1.00 0.00 H new ATOM 0 HB VAL A 70 2.957 4.105 5.005 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.460 5.005 3.273 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.172 3.272 3.561 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.050 4.483 4.226 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.249 6.461 5.108 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.873 5.998 6.138 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.538 5.786 6.730 1.00 0.00 H new ATOM 979 N ILE A 71 0.149 4.127 8.188 1.00 0.00 N ATOM 980 CA ILE A 71 -1.036 4.615 8.883 1.00 0.00 C ATOM 981 C ILE A 71 -1.288 6.087 8.574 1.00 0.00 C ATOM 982 O ILE A 71 -1.587 6.878 9.469 1.00 0.00 O ATOM 983 CB ILE A 71 -0.907 4.437 10.408 1.00 0.00 C ATOM 984 CG1 ILE A 71 -0.528 2.993 10.744 1.00 0.00 C ATOM 985 CG2 ILE A 71 -2.206 4.823 11.098 1.00 0.00 C ATOM 986 CD1 ILE A 71 -1.438 1.966 10.108 1.00 0.00 C ATOM 0 H ILE A 71 0.982 4.055 8.773 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.878 4.022 8.526 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.117 5.094 10.770 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.496 2.810 10.419 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.547 2.863 11.826 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.099 4.692 12.175 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.438 5.866 10.881 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.014 4.188 10.734 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.110 0.965 10.389 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.460 2.123 10.452 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.401 2.069 9.023 1.00 0.00 H new ATOM 998 N PHE A 72 -1.166 6.448 7.301 1.00 0.00 N ATOM 999 CA PHE A 72 -1.381 7.825 6.873 1.00 0.00 C ATOM 1000 C PHE A 72 -2.256 7.876 5.624 1.00 0.00 C ATOM 1001 O PHE A 72 -1.872 7.419 4.547 1.00 0.00 O ATOM 1002 CB PHE A 72 -0.042 8.512 6.600 1.00 0.00 C ATOM 1003 CG PHE A 72 -0.095 10.007 6.736 1.00 0.00 C ATOM 1004 CD1 PHE A 72 -0.720 10.594 7.824 1.00 0.00 C ATOM 1005 CD2 PHE A 72 0.480 10.824 5.777 1.00 0.00 C ATOM 1006 CE1 PHE A 72 -0.772 11.969 7.952 1.00 0.00 C ATOM 1007 CE2 PHE A 72 0.432 12.200 5.899 1.00 0.00 C ATOM 1008 CZ PHE A 72 -0.194 12.773 6.989 1.00 0.00 C ATOM 0 H PHE A 72 -0.919 5.806 6.548 1.00 0.00 H new ATOM 0 HA PHE A 72 -1.894 8.353 7.677 1.00 0.00 H new ATOM 0 HB2 PHE A 72 0.706 8.119 7.289 1.00 0.00 H new ATOM 0 HB3 PHE A 72 0.288 8.259 5.593 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.172 9.970 8.581 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.972 10.381 4.924 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -1.264 12.414 8.804 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.883 12.826 5.143 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.231 13.848 7.088 1.00 0.00 H new ATOM 1018 N PRO A 73 -3.462 8.445 5.770 1.00 0.00 N ATOM 1019 CA PRO A 73 -4.417 8.570 4.665 1.00 0.00 C ATOM 1020 C PRO A 73 -3.961 9.577 3.615 1.00 0.00 C ATOM 1021 O PRO A 73 -4.309 9.465 2.439 1.00 0.00 O ATOM 1022 CB PRO A 73 -5.694 9.057 5.353 1.00 0.00 C ATOM 1023 CG PRO A 73 -5.221 9.748 6.585 1.00 0.00 C ATOM 1024 CD PRO A 73 -3.986 9.011 7.024 1.00 0.00 C ATOM 0 HA PRO A 73 -4.539 7.631 4.124 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.256 9.734 4.710 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.355 8.225 5.595 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -4.999 10.796 6.384 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.985 9.727 7.362 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -3.265 9.680 7.495 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.220 8.232 7.750 1.00 0.00 H new ATOM 1032 N THR A 74 -3.178 10.561 4.046 1.00 0.00 N ATOM 1033 CA THR A 74 -2.674 11.588 3.143 1.00 0.00 C ATOM 1034 C THR A 74 -1.207 11.351 2.804 1.00 0.00 C ATOM 1035 O THR A 74 -0.470 12.289 2.501 1.00 0.00 O ATOM 1036 CB THR A 74 -2.827 12.995 3.751 1.00 0.00 C ATOM 1037 OG1 THR A 74 -2.359 12.997 5.105 1.00 0.00 O ATOM 1038 CG2 THR A 74 -4.279 13.447 3.711 1.00 0.00 C ATOM 0 H THR A 74 -2.879 10.668 5.015 1.00 0.00 H new ATOM 0 HA THR A 74 -3.269 11.527 2.232 1.00 0.00 H new ATOM 0 HB THR A 74 -2.230 13.689 3.159 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.379 12.995 5.112 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.362 14.443 4.146 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.624 13.472 2.677 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.893 12.750 4.281 1.00 0.00 H new ATOM 1046 N ALA A 75 -0.789 10.090 2.856 1.00 0.00 N ATOM 1047 CA ALA A 75 0.590 9.729 2.551 1.00 0.00 C ATOM 1048 C ALA A 75 0.816 9.645 1.046 1.00 0.00 C ATOM 1049 O ALA A 75 -0.068 9.224 0.299 1.00 0.00 O ATOM 1050 CB ALA A 75 0.949 8.408 3.216 1.00 0.00 C ATOM 0 H ALA A 75 -1.386 9.302 3.106 1.00 0.00 H new ATOM 0 HA ALA A 75 1.240 10.510 2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.981 8.151 2.980 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.836 8.502 4.296 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.287 7.624 2.849 1.00 0.00 H new ATOM 1056 N ASP A 76 2.003 10.048 0.607 1.00 0.00 N ATOM 1057 CA ASP A 76 2.345 10.018 -0.811 1.00 0.00 C ATOM 1058 C ASP A 76 3.600 9.185 -1.049 1.00 0.00 C ATOM 1059 O ASP A 76 4.110 9.118 -2.168 1.00 0.00 O ATOM 1060 CB ASP A 76 2.553 11.438 -1.338 1.00 0.00 C ATOM 1061 CG ASP A 76 3.559 12.219 -0.516 1.00 0.00 C ATOM 1062 OD1 ASP A 76 4.773 12.075 -0.770 1.00 0.00 O ATOM 1063 OD2 ASP A 76 3.132 12.975 0.382 1.00 0.00 O ATOM 0 H ASP A 76 2.745 10.399 1.212 1.00 0.00 H new ATOM 0 HA ASP A 76 1.517 9.557 -1.349 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.891 11.392 -2.373 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.599 11.966 -1.337 1.00 0.00 H new ATOM 1068 N SER A 77 4.094 8.552 0.010 1.00 0.00 N ATOM 1069 CA SER A 77 5.293 7.727 -0.083 1.00 0.00 C ATOM 1070 C SER A 77 5.500 6.923 1.197 1.00 0.00 C ATOM 1071 O SER A 77 5.382 7.452 2.303 1.00 0.00 O ATOM 1072 CB SER A 77 6.519 8.601 -0.353 1.00 0.00 C ATOM 1073 OG SER A 77 6.760 9.489 0.724 1.00 0.00 O ATOM 0 H SER A 77 3.683 8.595 0.942 1.00 0.00 H new ATOM 0 HA SER A 77 5.162 7.031 -0.912 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.393 7.969 -0.509 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.369 9.170 -1.271 1.00 0.00 H new ATOM 0 HG SER A 77 7.550 10.035 0.527 1.00 0.00 H new ATOM 1079 N THR A 78 5.809 5.639 1.039 1.00 0.00 N ATOM 1080 CA THR A 78 6.031 4.761 2.180 1.00 0.00 C ATOM 1081 C THR A 78 7.207 3.823 1.932 1.00 0.00 C ATOM 1082 O THR A 78 7.568 3.554 0.786 1.00 0.00 O ATOM 1083 CB THR A 78 4.779 3.922 2.496 1.00 0.00 C ATOM 1084 OG1 THR A 78 4.844 3.430 3.839 1.00 0.00 O ATOM 1085 CG2 THR A 78 4.652 2.754 1.529 1.00 0.00 C ATOM 0 H THR A 78 5.911 5.185 0.131 1.00 0.00 H new ATOM 0 HA THR A 78 6.254 5.402 3.032 1.00 0.00 H new ATOM 0 HB THR A 78 3.903 4.562 2.386 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.240 2.664 3.937 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.760 2.176 1.772 1.00 0.00 H new ATOM 0 HG22 THR A 78 4.573 3.132 0.510 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.532 2.116 1.612 1.00 0.00 H new ATOM 1093 N ALA A 79 7.802 3.328 3.012 1.00 0.00 N ATOM 1094 CA ALA A 79 8.936 2.418 2.910 1.00 0.00 C ATOM 1095 C ALA A 79 8.473 0.966 2.875 1.00 0.00 C ATOM 1096 O ALA A 79 7.490 0.601 3.519 1.00 0.00 O ATOM 1097 CB ALA A 79 9.896 2.640 4.070 1.00 0.00 C ATOM 0 H ALA A 79 7.518 3.542 3.968 1.00 0.00 H new ATOM 0 HA ALA A 79 9.457 2.628 1.976 1.00 0.00 H new ATOM 0 HB1 ALA A 79 10.738 1.954 3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 79 10.261 3.667 4.049 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.377 2.458 5.011 1.00 0.00 H new ATOM 1103 N VAL A 80 9.188 0.140 2.117 1.00 0.00 N ATOM 1104 CA VAL A 80 8.850 -1.273 1.997 1.00 0.00 C ATOM 1105 C VAL A 80 10.106 -2.138 1.969 1.00 0.00 C ATOM 1106 O VAL A 80 11.105 -1.778 1.347 1.00 0.00 O ATOM 1107 CB VAL A 80 8.023 -1.547 0.727 1.00 0.00 C ATOM 1108 CG1 VAL A 80 7.677 -3.025 0.623 1.00 0.00 C ATOM 1109 CG2 VAL A 80 6.764 -0.694 0.718 1.00 0.00 C ATOM 0 H VAL A 80 10.005 0.425 1.577 1.00 0.00 H new ATOM 0 HA VAL A 80 8.254 -1.531 2.872 1.00 0.00 H new ATOM 0 HB VAL A 80 8.623 -1.278 -0.142 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.093 -3.199 -0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.595 -3.611 0.580 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.095 -3.325 1.495 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.191 -0.900 -0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.158 -0.930 1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.039 0.361 0.741 1.00 0.00 H new ATOM 1119 N GLU A 81 10.047 -3.280 2.647 1.00 0.00 N ATOM 1120 CA GLU A 81 11.180 -4.196 2.699 1.00 0.00 C ATOM 1121 C GLU A 81 11.336 -4.945 1.379 1.00 0.00 C ATOM 1122 O GLU A 81 10.389 -5.560 0.885 1.00 0.00 O ATOM 1123 CB GLU A 81 11.006 -5.193 3.846 1.00 0.00 C ATOM 1124 CG GLU A 81 11.602 -4.719 5.161 1.00 0.00 C ATOM 1125 CD GLU A 81 10.882 -5.290 6.368 1.00 0.00 C ATOM 1126 OE1 GLU A 81 9.633 -5.302 6.362 1.00 0.00 O ATOM 1127 OE2 GLU A 81 11.568 -5.725 7.317 1.00 0.00 O ATOM 0 H GLU A 81 9.227 -3.593 3.167 1.00 0.00 H new ATOM 0 HA GLU A 81 12.081 -3.608 2.872 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.943 -5.388 3.988 1.00 0.00 H new ATOM 0 HB3 GLU A 81 11.469 -6.139 3.567 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.654 -5.003 5.202 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.564 -3.630 5.201 1.00 0.00 H new ATOM 1134 N LEU A 82 12.536 -4.888 0.811 1.00 0.00 N ATOM 1135 CA LEU A 82 12.817 -5.561 -0.452 1.00 0.00 C ATOM 1136 C LEU A 82 12.905 -7.071 -0.258 1.00 0.00 C ATOM 1137 O LEU A 82 12.567 -7.844 -1.154 1.00 0.00 O ATOM 1138 CB LEU A 82 14.122 -5.035 -1.053 1.00 0.00 C ATOM 1139 CG LEU A 82 14.059 -3.641 -1.678 1.00 0.00 C ATOM 1140 CD1 LEU A 82 15.392 -3.282 -2.317 1.00 0.00 C ATOM 1141 CD2 LEU A 82 12.936 -3.565 -2.702 1.00 0.00 C ATOM 0 H LEU A 82 13.330 -4.383 1.205 1.00 0.00 H new ATOM 0 HA LEU A 82 11.997 -5.350 -1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 82 14.881 -5.027 -0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 82 14.457 -5.738 -1.815 1.00 0.00 H new ATOM 0 HG LEU A 82 13.852 -2.919 -0.888 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.328 -2.287 -2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 82 16.174 -3.294 -1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 82 15.630 -4.008 -3.095 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.907 -2.566 -3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.112 -4.298 -3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.984 -3.777 -2.215 1.00 0.00 H new ATOM 1153 N VAL A 83 13.360 -7.485 0.921 1.00 0.00 N ATOM 1154 CA VAL A 83 13.490 -8.903 1.235 1.00 0.00 C ATOM 1155 C VAL A 83 12.154 -9.622 1.092 1.00 0.00 C ATOM 1156 O VAL A 83 12.096 -10.759 0.624 1.00 0.00 O ATOM 1157 CB VAL A 83 14.025 -9.115 2.664 1.00 0.00 C ATOM 1158 CG1 VAL A 83 12.916 -8.910 3.685 1.00 0.00 C ATOM 1159 CG2 VAL A 83 14.640 -10.499 2.802 1.00 0.00 C ATOM 0 H VAL A 83 13.645 -6.858 1.674 1.00 0.00 H new ATOM 0 HA VAL A 83 14.202 -9.321 0.523 1.00 0.00 H new ATOM 0 HB VAL A 83 14.803 -8.376 2.856 1.00 0.00 H new ATOM 0 HG11 VAL A 83 13.312 -9.064 4.689 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.526 -7.896 3.600 1.00 0.00 H new ATOM 0 HG13 VAL A 83 12.113 -9.624 3.499 1.00 0.00 H new ATOM 0 HG21 VAL A 83 15.013 -10.632 3.818 1.00 0.00 H new ATOM 0 HG22 VAL A 83 13.884 -11.256 2.591 1.00 0.00 H new ATOM 0 HG23 VAL A 83 15.464 -10.603 2.096 1.00 0.00 H new ATOM 1169 N ARG A 84 11.081 -8.951 1.500 1.00 0.00 N ATOM 1170 CA ARG A 84 9.744 -9.527 1.419 1.00 0.00 C ATOM 1171 C ARG A 84 9.360 -9.808 -0.031 1.00 0.00 C ATOM 1172 O ARG A 84 8.478 -10.622 -0.305 1.00 0.00 O ATOM 1173 CB ARG A 84 8.720 -8.584 2.054 1.00 0.00 C ATOM 1174 CG ARG A 84 9.049 -8.207 3.490 1.00 0.00 C ATOM 1175 CD ARG A 84 7.796 -7.850 4.273 1.00 0.00 C ATOM 1176 NE ARG A 84 7.196 -9.020 4.909 1.00 0.00 N ATOM 1177 CZ ARG A 84 6.203 -9.721 4.371 1.00 0.00 C ATOM 1178 NH1 ARG A 84 5.702 -9.372 3.194 1.00 0.00 N ATOM 1179 NH2 ARG A 84 5.710 -10.774 5.011 1.00 0.00 N ATOM 0 H ARG A 84 11.112 -8.009 1.890 1.00 0.00 H new ATOM 0 HA ARG A 84 9.748 -10.470 1.966 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.654 -7.676 1.455 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.738 -9.056 2.027 1.00 0.00 H new ATOM 0 HG2 ARG A 84 9.560 -9.037 3.977 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.737 -7.362 3.497 1.00 0.00 H new ATOM 0 HD2 ARG A 84 8.043 -7.110 5.034 1.00 0.00 H new ATOM 0 HD3 ARG A 84 7.070 -7.389 3.604 1.00 0.00 H new ATOM 0 HE ARG A 84 7.559 -9.315 5.815 1.00 0.00 H new ATOM 0 HH11 ARG A 84 6.079 -8.564 2.699 1.00 0.00 H new ATOM 0 HH12 ARG A 84 4.940 -9.912 2.784 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.093 -11.046 5.916 1.00 0.00 H new ATOM 0 HH22 ARG A 84 4.948 -11.311 4.597 1.00 0.00 H new ATOM 1193 N LEU A 85 10.029 -9.129 -0.957 1.00 0.00 N ATOM 1194 CA LEU A 85 9.758 -9.304 -2.380 1.00 0.00 C ATOM 1195 C LEU A 85 10.602 -10.435 -2.959 1.00 0.00 C ATOM 1196 O LEU A 85 10.214 -11.074 -3.937 1.00 0.00 O ATOM 1197 CB LEU A 85 10.037 -8.005 -3.137 1.00 0.00 C ATOM 1198 CG LEU A 85 9.483 -6.727 -2.504 1.00 0.00 C ATOM 1199 CD1 LEU A 85 10.176 -5.502 -3.081 1.00 0.00 C ATOM 1200 CD2 LEU A 85 7.978 -6.639 -2.711 1.00 0.00 C ATOM 0 H LEU A 85 10.763 -8.452 -0.748 1.00 0.00 H new ATOM 0 HA LEU A 85 8.706 -9.564 -2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 85 11.116 -7.895 -3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.624 -8.097 -4.142 1.00 0.00 H new ATOM 0 HG LEU A 85 9.681 -6.759 -1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.769 -4.602 -2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 85 11.246 -5.561 -2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 85 10.010 -5.464 -4.158 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.601 -5.724 -2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.757 -6.630 -3.778 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.496 -7.500 -2.249 1.00 0.00 H new ATOM 1212 N ARG A 86 11.757 -10.677 -2.347 1.00 0.00 N ATOM 1213 CA ARG A 86 12.656 -11.731 -2.802 1.00 0.00 C ATOM 1214 C ARG A 86 12.028 -13.107 -2.595 1.00 0.00 C ATOM 1215 O ARG A 86 11.873 -13.878 -3.542 1.00 0.00 O ATOM 1216 CB ARG A 86 13.989 -11.650 -2.057 1.00 0.00 C ATOM 1217 CG ARG A 86 14.584 -10.252 -2.024 1.00 0.00 C ATOM 1218 CD ARG A 86 14.869 -9.734 -3.425 1.00 0.00 C ATOM 1219 NE ARG A 86 15.952 -10.470 -4.072 1.00 0.00 N ATOM 1220 CZ ARG A 86 17.238 -10.268 -3.807 1.00 0.00 C ATOM 1221 NH1 ARG A 86 17.599 -9.357 -2.914 1.00 0.00 N ATOM 1222 NH2 ARG A 86 18.165 -10.978 -4.437 1.00 0.00 N ATOM 0 H ARG A 86 12.092 -10.158 -1.535 1.00 0.00 H new ATOM 0 HA ARG A 86 12.834 -11.588 -3.868 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.846 -11.999 -1.034 1.00 0.00 H new ATOM 0 HB3 ARG A 86 14.701 -12.328 -2.528 1.00 0.00 H new ATOM 0 HG2 ARG A 86 13.896 -9.575 -1.518 1.00 0.00 H new ATOM 0 HG3 ARG A 86 15.507 -10.262 -1.444 1.00 0.00 H new ATOM 0 HD2 ARG A 86 13.966 -9.811 -4.031 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.129 -8.677 -3.374 1.00 0.00 H new ATOM 0 HE ARG A 86 15.708 -11.178 -4.765 1.00 0.00 H new ATOM 0 HH11 ARG A 86 16.889 -8.809 -2.429 1.00 0.00 H new ATOM 0 HH12 ARG A 86 18.587 -9.204 -2.712 1.00 0.00 H new ATOM 0 HH21 ARG A 86 17.890 -11.679 -5.125 1.00 0.00 H new ATOM 0 HH22 ARG A 86 19.152 -10.823 -4.233 1.00 0.00 H new ATOM 1236 N SER A 87 11.671 -13.408 -1.351 1.00 0.00 N ATOM 1237 CA SER A 87 11.065 -14.692 -1.018 1.00 0.00 C ATOM 1238 C SER A 87 9.921 -15.016 -1.975 1.00 0.00 C ATOM 1239 O SER A 87 9.734 -16.168 -2.370 1.00 0.00 O ATOM 1240 CB SER A 87 10.552 -14.680 0.423 1.00 0.00 C ATOM 1241 OG SER A 87 10.589 -15.979 0.988 1.00 0.00 O ATOM 0 H SER A 87 11.791 -12.780 -0.556 1.00 0.00 H new ATOM 0 HA SER A 87 11.829 -15.463 -1.117 1.00 0.00 H new ATOM 0 HB2 SER A 87 11.159 -14.002 1.023 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.531 -14.299 0.446 1.00 0.00 H new ATOM 0 HG SER A 87 10.258 -15.944 1.910 1.00 0.00 H new ATOM 1247 N LEU A 88 9.158 -13.993 -2.343 1.00 0.00 N ATOM 1248 CA LEU A 88 8.032 -14.167 -3.253 1.00 0.00 C ATOM 1249 C LEU A 88 8.462 -13.948 -4.700 1.00 0.00 C ATOM 1250 O LEU A 88 7.748 -14.316 -5.632 1.00 0.00 O ATOM 1251 CB LEU A 88 6.904 -13.199 -2.892 1.00 0.00 C ATOM 1252 CG LEU A 88 6.564 -13.089 -1.406 1.00 0.00 C ATOM 1253 CD1 LEU A 88 6.036 -11.700 -1.080 1.00 0.00 C ATOM 1254 CD2 LEU A 88 5.550 -14.153 -1.010 1.00 0.00 C ATOM 0 H LEU A 88 9.299 -13.034 -2.025 1.00 0.00 H new ATOM 0 HA LEU A 88 7.670 -15.190 -3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.172 -12.208 -3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.005 -13.504 -3.428 1.00 0.00 H new ATOM 0 HG LEU A 88 7.476 -13.253 -0.832 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.799 -11.641 -0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.794 -10.956 -1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.136 -11.507 -1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.320 -14.059 0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.638 -14.021 -1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.965 -15.142 -1.205 1.00 0.00 H new ATOM 1266 N GLU A 89 9.635 -13.348 -4.879 1.00 0.00 N ATOM 1267 CA GLU A 89 10.160 -13.082 -6.213 1.00 0.00 C ATOM 1268 C GLU A 89 9.230 -12.154 -6.989 1.00 0.00 C ATOM 1269 O GLU A 89 9.028 -12.324 -8.191 1.00 0.00 O ATOM 1270 CB GLU A 89 10.350 -14.391 -6.982 1.00 0.00 C ATOM 1271 CG GLU A 89 11.302 -15.362 -6.304 1.00 0.00 C ATOM 1272 CD GLU A 89 12.743 -15.162 -6.734 1.00 0.00 C ATOM 1273 OE1 GLU A 89 12.976 -14.920 -7.936 1.00 0.00 O ATOM 1274 OE2 GLU A 89 13.637 -15.246 -5.866 1.00 0.00 O ATOM 0 H GLU A 89 10.239 -13.037 -4.118 1.00 0.00 H new ATOM 0 HA GLU A 89 11.127 -12.591 -6.103 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.381 -14.873 -7.107 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.725 -14.165 -7.980 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.229 -15.242 -5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 89 10.997 -16.383 -6.532 1.00 0.00 H new ATOM 1281 N ALA A 90 8.665 -11.173 -6.292 1.00 0.00 N ATOM 1282 CA ALA A 90 7.758 -10.218 -6.915 1.00 0.00 C ATOM 1283 C ALA A 90 8.529 -9.137 -7.665 1.00 0.00 C ATOM 1284 O ALA A 90 9.469 -8.547 -7.132 1.00 0.00 O ATOM 1285 CB ALA A 90 6.851 -9.590 -5.866 1.00 0.00 C ATOM 0 H ALA A 90 8.820 -11.019 -5.296 1.00 0.00 H new ATOM 0 HA ALA A 90 7.143 -10.756 -7.637 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.179 -8.879 -6.345 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.266 -10.369 -5.377 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.458 -9.072 -5.123 1.00 0.00 H new ATOM 1291 N LYS A 91 8.126 -8.883 -8.905 1.00 0.00 N ATOM 1292 CA LYS A 91 8.778 -7.872 -9.730 1.00 0.00 C ATOM 1293 C LYS A 91 7.936 -6.603 -9.803 1.00 0.00 C ATOM 1294 O LYS A 91 8.034 -5.835 -10.759 1.00 0.00 O ATOM 1295 CB LYS A 91 9.023 -8.416 -11.140 1.00 0.00 C ATOM 1296 CG LYS A 91 10.221 -9.345 -11.233 1.00 0.00 C ATOM 1297 CD LYS A 91 11.530 -8.577 -11.152 1.00 0.00 C ATOM 1298 CE LYS A 91 11.772 -7.754 -12.408 1.00 0.00 C ATOM 1299 NZ LYS A 91 13.224 -7.544 -12.662 1.00 0.00 N ATOM 0 H LYS A 91 7.351 -9.363 -9.361 1.00 0.00 H new ATOM 0 HA LYS A 91 9.735 -7.626 -9.270 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.133 -8.949 -11.474 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.169 -7.579 -11.823 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.178 -10.078 -10.427 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.181 -9.899 -12.171 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.514 -7.920 -10.283 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.355 -9.275 -11.009 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.323 -8.257 -13.264 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.277 -6.788 -12.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.347 -6.979 -13.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.648 -7.041 -11.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.692 -8.465 -12.781 1.00 0.00 H new ATOM 1313 N GLY A 92 7.107 -6.388 -8.785 1.00 0.00 N ATOM 1314 CA GLY A 92 6.261 -5.209 -8.753 1.00 0.00 C ATOM 1315 C GLY A 92 5.431 -5.126 -7.488 1.00 0.00 C ATOM 1316 O GLY A 92 5.094 -6.148 -6.889 1.00 0.00 O ATOM 0 H GLY A 92 7.007 -7.009 -7.982 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.882 -4.317 -8.835 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.599 -5.217 -9.619 1.00 0.00 H new ATOM 1320 N VAL A 93 5.100 -3.905 -7.078 1.00 0.00 N ATOM 1321 CA VAL A 93 4.305 -3.692 -5.875 1.00 0.00 C ATOM 1322 C VAL A 93 3.069 -2.852 -6.175 1.00 0.00 C ATOM 1323 O VAL A 93 2.926 -2.306 -7.270 1.00 0.00 O ATOM 1324 CB VAL A 93 5.128 -3.000 -4.773 1.00 0.00 C ATOM 1325 CG1 VAL A 93 6.169 -3.952 -4.205 1.00 0.00 C ATOM 1326 CG2 VAL A 93 5.786 -1.739 -5.313 1.00 0.00 C ATOM 0 H VAL A 93 5.370 -3.049 -7.562 1.00 0.00 H new ATOM 0 HA VAL A 93 3.995 -4.676 -5.522 1.00 0.00 H new ATOM 0 HB VAL A 93 4.454 -2.714 -3.966 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.740 -3.445 -3.428 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.671 -4.823 -3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.842 -4.271 -5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.364 -1.262 -4.521 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.448 -1.999 -6.139 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.018 -1.051 -5.666 1.00 0.00 H new ATOM 1336 N THR A 94 2.177 -2.749 -5.195 1.00 0.00 N ATOM 1337 CA THR A 94 0.952 -1.976 -5.354 1.00 0.00 C ATOM 1338 C THR A 94 0.577 -1.268 -4.057 1.00 0.00 C ATOM 1339 O THR A 94 1.181 -1.505 -3.011 1.00 0.00 O ATOM 1340 CB THR A 94 -0.223 -2.868 -5.797 1.00 0.00 C ATOM 1341 OG1 THR A 94 -0.614 -3.732 -4.724 1.00 0.00 O ATOM 1342 CG2 THR A 94 0.158 -3.700 -7.012 1.00 0.00 C ATOM 0 H THR A 94 2.280 -3.192 -4.282 1.00 0.00 H new ATOM 0 HA THR A 94 1.146 -1.233 -6.128 1.00 0.00 H new ATOM 0 HB THR A 94 -1.059 -2.223 -6.066 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.976 -4.566 -5.091 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.687 -4.322 -7.307 1.00 0.00 H new ATOM 0 HG22 THR A 94 0.427 -3.039 -7.836 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.008 -4.336 -6.765 1.00 0.00 H new ATOM 1350 N VAL A 95 -0.426 -0.398 -4.131 1.00 0.00 N ATOM 1351 CA VAL A 95 -0.883 0.343 -2.962 1.00 0.00 C ATOM 1352 C VAL A 95 -2.403 0.307 -2.848 1.00 0.00 C ATOM 1353 O VAL A 95 -3.115 0.553 -3.823 1.00 0.00 O ATOM 1354 CB VAL A 95 -0.418 1.811 -3.010 1.00 0.00 C ATOM 1355 CG1 VAL A 95 -0.661 2.492 -1.672 1.00 0.00 C ATOM 1356 CG2 VAL A 95 1.050 1.891 -3.400 1.00 0.00 C ATOM 0 H VAL A 95 -0.937 -0.190 -4.989 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.444 -0.141 -2.090 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.001 2.335 -3.768 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.326 3.528 -1.725 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.725 2.466 -1.438 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.106 1.971 -0.892 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.362 2.935 -3.429 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.651 1.353 -2.667 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.190 1.443 -4.384 1.00 0.00 H new ATOM 1366 N ARG A 96 -2.895 -0.001 -1.653 1.00 0.00 N ATOM 1367 CA ARG A 96 -4.331 -0.070 -1.412 1.00 0.00 C ATOM 1368 C ARG A 96 -4.740 0.880 -0.290 1.00 0.00 C ATOM 1369 O ARG A 96 -4.087 0.947 0.752 1.00 0.00 O ATOM 1370 CB ARG A 96 -4.742 -1.501 -1.057 1.00 0.00 C ATOM 1371 CG ARG A 96 -4.071 -2.558 -1.919 1.00 0.00 C ATOM 1372 CD ARG A 96 -4.683 -3.931 -1.693 1.00 0.00 C ATOM 1373 NE ARG A 96 -4.576 -4.780 -2.877 1.00 0.00 N ATOM 1374 CZ ARG A 96 -4.726 -6.100 -2.851 1.00 0.00 C ATOM 1375 NH1 ARG A 96 -4.987 -6.718 -1.708 1.00 0.00 N ATOM 1376 NH2 ARG A 96 -4.614 -6.803 -3.971 1.00 0.00 N ATOM 0 H ARG A 96 -2.320 -0.207 -0.836 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.842 0.232 -2.326 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -4.501 -1.690 -0.011 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -5.823 -1.595 -1.157 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.165 -2.285 -2.970 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -3.005 -2.591 -1.692 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -4.185 -4.416 -0.853 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -5.732 -3.820 -1.420 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.375 -4.335 -3.773 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -5.073 -6.180 -0.846 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.102 -7.731 -1.691 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.413 -6.330 -4.852 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.729 -7.816 -3.951 1.00 0.00 H new ATOM 1390 N THR A 97 -5.826 1.615 -0.511 1.00 0.00 N ATOM 1391 CA THR A 97 -6.322 2.563 0.479 1.00 0.00 C ATOM 1392 C THR A 97 -6.992 1.842 1.643 1.00 0.00 C ATOM 1393 O THR A 97 -8.084 1.291 1.500 1.00 0.00 O ATOM 1394 CB THR A 97 -7.325 3.552 -0.143 1.00 0.00 C ATOM 1395 OG1 THR A 97 -6.884 3.941 -1.449 1.00 0.00 O ATOM 1396 CG2 THR A 97 -7.483 4.785 0.733 1.00 0.00 C ATOM 0 H THR A 97 -6.379 1.572 -1.367 1.00 0.00 H new ATOM 0 HA THR A 97 -5.458 3.117 0.847 1.00 0.00 H new ATOM 0 HB THR A 97 -8.292 3.055 -0.220 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.551 4.531 -1.857 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.196 5.469 0.273 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.847 4.488 1.717 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.519 5.283 0.838 1.00 0.00 H new ATOM 1404 N LEU A 98 -6.331 1.849 2.796 1.00 0.00 N ATOM 1405 CA LEU A 98 -6.864 1.196 3.987 1.00 0.00 C ATOM 1406 C LEU A 98 -7.949 2.049 4.636 1.00 0.00 C ATOM 1407 O LEU A 98 -7.877 3.277 4.624 1.00 0.00 O ATOM 1408 CB LEU A 98 -5.741 0.927 4.990 1.00 0.00 C ATOM 1409 CG LEU A 98 -4.500 0.225 4.437 1.00 0.00 C ATOM 1410 CD1 LEU A 98 -3.450 0.062 5.525 1.00 0.00 C ATOM 1411 CD2 LEU A 98 -4.872 -1.127 3.845 1.00 0.00 C ATOM 0 H LEU A 98 -5.426 2.299 2.931 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.307 0.247 3.684 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.433 1.878 5.423 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.144 0.322 5.802 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.079 0.843 3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.574 -0.439 5.113 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.162 1.043 5.903 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.860 -0.535 6.340 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.977 -1.613 3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.317 -1.753 4.618 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.588 -0.985 3.036 1.00 0.00 H new ATOM 1423 N SER A 99 -8.952 1.388 5.205 1.00 0.00 N ATOM 1424 CA SER A 99 -10.053 2.085 5.859 1.00 0.00 C ATOM 1425 C SER A 99 -10.822 1.144 6.781 1.00 0.00 C ATOM 1426 O SER A 99 -10.728 -0.077 6.657 1.00 0.00 O ATOM 1427 CB SER A 99 -11.000 2.681 4.815 1.00 0.00 C ATOM 1428 OG SER A 99 -11.356 1.715 3.841 1.00 0.00 O ATOM 0 H SER A 99 -9.025 0.371 5.226 1.00 0.00 H new ATOM 0 HA SER A 99 -9.633 2.891 6.460 1.00 0.00 H new ATOM 0 HB2 SER A 99 -11.898 3.056 5.306 1.00 0.00 H new ATOM 0 HB3 SER A 99 -10.523 3.533 4.330 1.00 0.00 H new ATOM 0 HG SER A 99 -10.931 0.859 4.059 1.00 0.00 H new ATOM 1434 N ALA A 100 -11.583 1.721 7.705 1.00 0.00 N ATOM 1435 CA ALA A 100 -12.370 0.934 8.647 1.00 0.00 C ATOM 1436 C ALA A 100 -13.325 -0.003 7.915 1.00 0.00 C ATOM 1437 O ALA A 100 -13.636 -1.090 8.402 1.00 0.00 O ATOM 1438 CB ALA A 100 -13.142 1.851 9.584 1.00 0.00 C ATOM 0 H ALA A 100 -11.671 2.730 7.822 1.00 0.00 H new ATOM 0 HA ALA A 100 -11.685 0.325 9.236 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -13.725 1.250 10.282 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -12.443 2.476 10.139 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -13.812 2.485 9.003 1.00 0.00 H new ATOM 1444 N GLN A 101 -13.788 0.426 6.745 1.00 0.00 N ATOM 1445 CA GLN A 101 -14.709 -0.376 5.949 1.00 0.00 C ATOM 1446 C GLN A 101 -13.979 -1.530 5.270 1.00 0.00 C ATOM 1447 O GLN A 101 -14.457 -2.663 5.266 1.00 0.00 O ATOM 1448 CB GLN A 101 -15.398 0.496 4.897 1.00 0.00 C ATOM 1449 CG GLN A 101 -16.384 1.493 5.485 1.00 0.00 C ATOM 1450 CD GLN A 101 -15.789 2.300 6.623 1.00 0.00 C ATOM 1451 OE1 GLN A 101 -14.647 2.756 6.545 1.00 0.00 O ATOM 1452 NE2 GLN A 101 -16.561 2.481 7.688 1.00 0.00 N ATOM 0 H GLN A 101 -13.541 1.323 6.328 1.00 0.00 H new ATOM 0 HA GLN A 101 -15.463 -0.791 6.619 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -14.639 1.038 4.332 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -15.922 -0.147 4.190 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -16.721 2.171 4.701 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -17.264 0.959 5.844 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -17.501 2.085 7.710 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -16.214 3.016 8.484 1.00 0.00 H new ATOM 1461 N GLY A 102 -12.817 -1.233 4.695 1.00 0.00 N ATOM 1462 CA GLY A 102 -12.040 -2.257 4.021 1.00 0.00 C ATOM 1463 C GLY A 102 -11.021 -1.674 3.062 1.00 0.00 C ATOM 1464 O GLY A 102 -11.030 -0.473 2.793 1.00 0.00 O ATOM 0 H GLY A 102 -12.400 -0.302 4.684 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -11.527 -2.868 4.764 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -12.712 -2.918 3.474 1.00 0.00 H new ATOM 1468 N GLU A 103 -10.139 -2.525 2.548 1.00 0.00 N ATOM 1469 CA GLU A 103 -9.108 -2.086 1.616 1.00 0.00 C ATOM 1470 C GLU A 103 -9.685 -1.891 0.217 1.00 0.00 C ATOM 1471 O GLU A 103 -10.849 -2.204 -0.035 1.00 0.00 O ATOM 1472 CB GLU A 103 -7.964 -3.101 1.570 1.00 0.00 C ATOM 1473 CG GLU A 103 -7.564 -3.629 2.938 1.00 0.00 C ATOM 1474 CD GLU A 103 -7.026 -5.046 2.882 1.00 0.00 C ATOM 1475 OE1 GLU A 103 -6.691 -5.511 1.772 1.00 0.00 O ATOM 1476 OE2 GLU A 103 -6.940 -5.690 3.948 1.00 0.00 O ATOM 0 H GLU A 103 -10.118 -3.522 2.761 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.722 -1.129 1.968 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.258 -3.939 0.938 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.096 -2.637 1.101 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.807 -2.974 3.369 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -8.428 -3.598 3.602 1.00 0.00 H new ATOM 1483 N SER A 104 -8.864 -1.371 -0.689 1.00 0.00 N ATOM 1484 CA SER A 104 -9.293 -1.129 -2.062 1.00 0.00 C ATOM 1485 C SER A 104 -8.389 -1.860 -3.050 1.00 0.00 C ATOM 1486 O SER A 104 -7.324 -2.356 -2.685 1.00 0.00 O ATOM 1487 CB SER A 104 -9.290 0.371 -2.363 1.00 0.00 C ATOM 1488 OG SER A 104 -8.006 0.931 -2.151 1.00 0.00 O ATOM 0 H SER A 104 -7.897 -1.109 -0.497 1.00 0.00 H new ATOM 0 HA SER A 104 -10.307 -1.512 -2.173 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.597 0.539 -3.395 1.00 0.00 H new ATOM 0 HB3 SER A 104 -10.019 0.874 -1.728 1.00 0.00 H new ATOM 0 HG SER A 104 -8.030 1.890 -2.352 1.00 0.00 H new ATOM 1494 N VAL A 105 -8.823 -1.921 -4.305 1.00 0.00 N ATOM 1495 CA VAL A 105 -8.054 -2.589 -5.348 1.00 0.00 C ATOM 1496 C VAL A 105 -6.585 -2.185 -5.293 1.00 0.00 C ATOM 1497 O VAL A 105 -6.230 -1.183 -4.671 1.00 0.00 O ATOM 1498 CB VAL A 105 -8.611 -2.270 -6.748 1.00 0.00 C ATOM 1499 CG1 VAL A 105 -10.044 -2.762 -6.878 1.00 0.00 C ATOM 1500 CG2 VAL A 105 -8.523 -0.777 -7.028 1.00 0.00 C ATOM 0 H VAL A 105 -9.703 -1.516 -4.624 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.140 -3.660 -5.167 1.00 0.00 H new ATOM 0 HB VAL A 105 -8.005 -2.792 -7.489 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.420 -2.528 -7.874 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.074 -3.841 -6.723 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -10.667 -2.271 -6.130 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -8.921 -0.569 -8.021 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -9.103 -0.232 -6.283 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.482 -0.459 -6.980 1.00 0.00 H new ATOM 1510 N ASP A 106 -5.736 -2.969 -5.947 1.00 0.00 N ATOM 1511 CA ASP A 106 -4.304 -2.692 -5.974 1.00 0.00 C ATOM 1512 C ASP A 106 -3.970 -1.662 -7.049 1.00 0.00 C ATOM 1513 O ASP A 106 -4.267 -1.862 -8.227 1.00 0.00 O ATOM 1514 CB ASP A 106 -3.518 -3.980 -6.222 1.00 0.00 C ATOM 1515 CG ASP A 106 -4.299 -4.985 -7.046 1.00 0.00 C ATOM 1516 OD1 ASP A 106 -5.104 -5.737 -6.457 1.00 0.00 O ATOM 1517 OD2 ASP A 106 -4.106 -5.021 -8.279 1.00 0.00 O ATOM 0 H ASP A 106 -6.014 -3.802 -6.466 1.00 0.00 H new ATOM 0 HA ASP A 106 -4.020 -2.284 -5.004 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -2.586 -3.741 -6.734 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -3.250 -4.429 -5.265 1.00 0.00 H new ATOM 1522 N SER A 107 -3.353 -0.561 -6.634 1.00 0.00 N ATOM 1523 CA SER A 107 -2.983 0.503 -7.561 1.00 0.00 C ATOM 1524 C SER A 107 -2.088 -0.034 -8.674 1.00 0.00 C ATOM 1525 O SER A 107 -1.733 -1.212 -8.687 1.00 0.00 O ATOM 1526 CB SER A 107 -2.268 1.632 -6.816 1.00 0.00 C ATOM 1527 OG SER A 107 -1.148 1.140 -6.099 1.00 0.00 O ATOM 0 H SER A 107 -3.099 -0.382 -5.663 1.00 0.00 H new ATOM 0 HA SER A 107 -3.896 0.895 -8.009 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.944 2.393 -7.526 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.962 2.114 -6.127 1.00 0.00 H new ATOM 0 HG SER A 107 -0.571 0.629 -6.704 1.00 0.00 H new ATOM 1533 N ALA A 108 -1.728 0.841 -9.608 1.00 0.00 N ATOM 1534 CA ALA A 108 -0.873 0.457 -10.725 1.00 0.00 C ATOM 1535 C ALA A 108 0.386 -0.250 -10.235 1.00 0.00 C ATOM 1536 O ALA A 108 1.227 0.349 -9.565 1.00 0.00 O ATOM 1537 CB ALA A 108 -0.506 1.680 -11.552 1.00 0.00 C ATOM 0 H ALA A 108 -2.015 1.820 -9.613 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.428 -0.240 -11.353 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.133 1.379 -12.383 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -1.413 2.142 -11.941 1.00 0.00 H new ATOM 0 HB3 ALA A 108 0.026 2.396 -10.926 1.00 0.00 H new ATOM 1543 N VAL A 109 0.509 -1.530 -10.573 1.00 0.00 N ATOM 1544 CA VAL A 109 1.666 -2.320 -10.167 1.00 0.00 C ATOM 1545 C VAL A 109 2.967 -1.643 -10.585 1.00 0.00 C ATOM 1546 O VAL A 109 3.334 -1.653 -11.759 1.00 0.00 O ATOM 1547 CB VAL A 109 1.619 -3.735 -10.773 1.00 0.00 C ATOM 1548 CG1 VAL A 109 1.460 -3.665 -12.284 1.00 0.00 C ATOM 1549 CG2 VAL A 109 2.869 -4.517 -10.396 1.00 0.00 C ATOM 0 H VAL A 109 -0.178 -2.042 -11.127 1.00 0.00 H new ATOM 0 HA VAL A 109 1.632 -2.397 -9.080 1.00 0.00 H new ATOM 0 HB VAL A 109 0.754 -4.257 -10.365 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.429 -4.675 -12.694 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.534 -3.145 -12.529 1.00 0.00 H new ATOM 0 HG13 VAL A 109 2.303 -3.125 -12.714 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.819 -5.515 -10.832 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.750 -3.999 -10.774 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.934 -4.598 -9.311 1.00 0.00 H new ATOM 1559 N ALA A 110 3.660 -1.056 -9.614 1.00 0.00 N ATOM 1560 CA ALA A 110 4.921 -0.376 -9.880 1.00 0.00 C ATOM 1561 C ALA A 110 6.078 -1.368 -9.941 1.00 0.00 C ATOM 1562 O ALA A 110 6.614 -1.775 -8.910 1.00 0.00 O ATOM 1563 CB ALA A 110 5.185 0.681 -8.819 1.00 0.00 C ATOM 0 H ALA A 110 3.369 -1.038 -8.637 1.00 0.00 H new ATOM 0 HA ALA A 110 4.844 0.112 -10.852 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.130 1.181 -9.031 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.378 1.413 -8.826 1.00 0.00 H new ATOM 0 HB3 ALA A 110 5.236 0.207 -7.839 1.00 0.00 H new ATOM 1569 N ALA A 111 6.457 -1.755 -11.154 1.00 0.00 N ATOM 1570 CA ALA A 111 7.550 -2.699 -11.348 1.00 0.00 C ATOM 1571 C ALA A 111 8.831 -2.199 -10.688 1.00 0.00 C ATOM 1572 O ALA A 111 9.443 -1.236 -11.148 1.00 0.00 O ATOM 1573 CB ALA A 111 7.780 -2.943 -12.832 1.00 0.00 C ATOM 0 H ALA A 111 6.023 -1.429 -12.018 1.00 0.00 H new ATOM 0 HA ALA A 111 7.272 -3.641 -10.875 1.00 0.00 H new ATOM 0 HB1 ALA A 111 8.599 -3.650 -12.962 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.874 -3.352 -13.278 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.032 -2.002 -13.321 1.00 0.00 H new ATOM 1579 N VAL A 112 9.230 -2.860 -9.606 1.00 0.00 N ATOM 1580 CA VAL A 112 10.438 -2.483 -8.882 1.00 0.00 C ATOM 1581 C VAL A 112 11.680 -2.683 -9.744 1.00 0.00 C ATOM 1582 O VAL A 112 11.829 -3.689 -10.437 1.00 0.00 O ATOM 1583 CB VAL A 112 10.592 -3.297 -7.583 1.00 0.00 C ATOM 1584 CG1 VAL A 112 11.856 -2.888 -6.843 1.00 0.00 C ATOM 1585 CG2 VAL A 112 9.367 -3.123 -6.698 1.00 0.00 C ATOM 0 H VAL A 112 8.734 -3.659 -9.212 1.00 0.00 H new ATOM 0 HA VAL A 112 10.339 -1.427 -8.630 1.00 0.00 H new ATOM 0 HB VAL A 112 10.678 -4.352 -7.844 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.948 -3.474 -5.928 1.00 0.00 H new ATOM 0 HG12 VAL A 112 12.724 -3.068 -7.478 1.00 0.00 H new ATOM 0 HG13 VAL A 112 11.804 -1.829 -6.592 1.00 0.00 H new ATOM 0 HG21 VAL A 112 9.492 -3.705 -5.785 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.248 -2.070 -6.444 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.481 -3.470 -7.230 1.00 0.00 H new ATOM 1595 N PRO A 113 12.594 -1.703 -9.700 1.00 0.00 N ATOM 1596 CA PRO A 113 13.841 -1.748 -10.470 1.00 0.00 C ATOM 1597 C PRO A 113 14.807 -2.806 -9.948 1.00 0.00 C ATOM 1598 O PRO A 113 14.899 -3.058 -8.746 1.00 0.00 O ATOM 1599 CB PRO A 113 14.427 -0.347 -10.279 1.00 0.00 C ATOM 1600 CG PRO A 113 13.856 0.130 -8.989 1.00 0.00 C ATOM 1601 CD PRO A 113 12.482 -0.475 -8.896 1.00 0.00 C ATOM 0 HA PRO A 113 13.667 -2.013 -11.513 1.00 0.00 H new ATOM 0 HB2 PRO A 113 15.516 -0.375 -10.244 1.00 0.00 H new ATOM 0 HB3 PRO A 113 14.152 0.313 -11.102 1.00 0.00 H new ATOM 0 HG2 PRO A 113 14.477 -0.181 -8.149 1.00 0.00 H new ATOM 0 HG3 PRO A 113 13.806 1.219 -8.963 1.00 0.00 H new ATOM 0 HD2 PRO A 113 12.209 -0.694 -7.864 1.00 0.00 H new ATOM 0 HD3 PRO A 113 11.720 0.196 -9.292 1.00 0.00 H new ATOM 1609 N PRO A 114 15.546 -3.440 -10.869 1.00 0.00 N ATOM 1610 CA PRO A 114 16.520 -4.481 -10.524 1.00 0.00 C ATOM 1611 C PRO A 114 17.735 -3.918 -9.795 1.00 0.00 C ATOM 1612 O PRO A 114 18.393 -4.624 -9.031 1.00 0.00 O ATOM 1613 CB PRO A 114 16.929 -5.049 -11.885 1.00 0.00 C ATOM 1614 CG PRO A 114 16.681 -3.940 -12.849 1.00 0.00 C ATOM 1615 CD PRO A 114 15.489 -3.191 -12.320 1.00 0.00 C ATOM 0 HA PRO A 114 16.100 -5.224 -9.846 1.00 0.00 H new ATOM 0 HB2 PRO A 114 17.976 -5.350 -11.889 1.00 0.00 H new ATOM 0 HB3 PRO A 114 16.342 -5.932 -12.138 1.00 0.00 H new ATOM 0 HG2 PRO A 114 17.550 -3.287 -12.925 1.00 0.00 H new ATOM 0 HG3 PRO A 114 16.486 -4.328 -13.849 1.00 0.00 H new ATOM 0 HD2 PRO A 114 15.550 -2.127 -12.548 1.00 0.00 H new ATOM 0 HD3 PRO A 114 14.559 -3.557 -12.754 1.00 0.00 H new ATOM 1623 N GLU A 115 18.027 -2.644 -10.035 1.00 0.00 N ATOM 1624 CA GLU A 115 19.164 -1.988 -9.400 1.00 0.00 C ATOM 1625 C GLU A 115 18.932 -1.829 -7.900 1.00 0.00 C ATOM 1626 O GLU A 115 19.861 -1.950 -7.100 1.00 0.00 O ATOM 1627 CB GLU A 115 19.412 -0.619 -10.037 1.00 0.00 C ATOM 1628 CG GLU A 115 18.413 0.442 -9.607 1.00 0.00 C ATOM 1629 CD GLU A 115 18.307 1.581 -10.603 1.00 0.00 C ATOM 1630 OE1 GLU A 115 18.178 1.299 -11.813 1.00 0.00 O ATOM 1631 OE2 GLU A 115 18.354 2.752 -10.174 1.00 0.00 O ATOM 0 H GLU A 115 17.492 -2.045 -10.664 1.00 0.00 H new ATOM 0 HA GLU A 115 20.043 -2.615 -9.550 1.00 0.00 H new ATOM 0 HB2 GLU A 115 20.417 -0.285 -9.780 1.00 0.00 H new ATOM 0 HB3 GLU A 115 19.377 -0.721 -11.122 1.00 0.00 H new ATOM 0 HG2 GLU A 115 17.433 -0.017 -9.480 1.00 0.00 H new ATOM 0 HG3 GLU A 115 18.707 0.840 -8.636 1.00 0.00 H new ATOM 1638 N LEU A 116 17.687 -1.557 -7.525 1.00 0.00 N ATOM 1639 CA LEU A 116 17.332 -1.380 -6.122 1.00 0.00 C ATOM 1640 C LEU A 116 17.109 -2.728 -5.443 1.00 0.00 C ATOM 1641 O LEU A 116 17.271 -2.858 -4.229 1.00 0.00 O ATOM 1642 CB LEU A 116 16.073 -0.520 -5.998 1.00 0.00 C ATOM 1643 CG LEU A 116 16.146 0.872 -6.627 1.00 0.00 C ATOM 1644 CD1 LEU A 116 14.884 1.663 -6.320 1.00 0.00 C ATOM 1645 CD2 LEU A 116 17.378 1.616 -6.132 1.00 0.00 C ATOM 0 H LEU A 116 16.906 -1.454 -8.173 1.00 0.00 H new ATOM 0 HA LEU A 116 18.160 -0.875 -5.624 1.00 0.00 H new ATOM 0 HB2 LEU A 116 15.243 -1.059 -6.453 1.00 0.00 H new ATOM 0 HB3 LEU A 116 15.837 -0.407 -4.940 1.00 0.00 H new ATOM 0 HG LEU A 116 16.224 0.758 -7.708 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.954 2.651 -6.776 1.00 0.00 H new ATOM 0 HD12 LEU A 116 14.018 1.138 -6.723 1.00 0.00 H new ATOM 0 HD13 LEU A 116 14.774 1.768 -5.241 1.00 0.00 H new ATOM 0 HD21 LEU A 116 17.414 2.605 -6.590 1.00 0.00 H new ATOM 0 HD22 LEU A 116 17.329 1.719 -5.048 1.00 0.00 H new ATOM 0 HD23 LEU A 116 18.274 1.057 -6.403 1.00 0.00 H new ATOM 1657 N LEU A 117 16.740 -3.729 -6.234 1.00 0.00 N ATOM 1658 CA LEU A 117 16.497 -5.069 -5.710 1.00 0.00 C ATOM 1659 C LEU A 117 17.801 -5.724 -5.267 1.00 0.00 C ATOM 1660 O LEU A 117 17.850 -6.403 -4.241 1.00 0.00 O ATOM 1661 CB LEU A 117 15.811 -5.935 -6.768 1.00 0.00 C ATOM 1662 CG LEU A 117 14.352 -5.593 -7.072 1.00 0.00 C ATOM 1663 CD1 LEU A 117 13.949 -6.137 -8.434 1.00 0.00 C ATOM 1664 CD2 LEU A 117 13.438 -6.139 -5.985 1.00 0.00 C ATOM 0 H LEU A 117 16.602 -3.639 -7.241 1.00 0.00 H new ATOM 0 HA LEU A 117 15.843 -4.981 -4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 117 16.381 -5.862 -7.694 1.00 0.00 H new ATOM 0 HB3 LEU A 117 15.860 -6.975 -6.445 1.00 0.00 H new ATOM 0 HG LEU A 117 14.250 -4.508 -7.092 1.00 0.00 H new ATOM 0 HD11 LEU A 117 12.908 -5.884 -8.633 1.00 0.00 H new ATOM 0 HD12 LEU A 117 14.583 -5.697 -9.204 1.00 0.00 H new ATOM 0 HD13 LEU A 117 14.067 -7.221 -8.443 1.00 0.00 H new ATOM 0 HD21 LEU A 117 12.404 -5.886 -6.218 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.543 -7.223 -5.931 1.00 0.00 H new ATOM 0 HD23 LEU A 117 13.711 -5.700 -5.025 1.00 0.00 H new ATOM 1676 N VAL A 118 18.857 -5.515 -6.047 1.00 0.00 N ATOM 1677 CA VAL A 118 20.163 -6.083 -5.733 1.00 0.00 C ATOM 1678 C VAL A 118 20.835 -5.323 -4.596 1.00 0.00 C ATOM 1679 O VAL A 118 20.812 -4.093 -4.539 1.00 0.00 O ATOM 1680 CB VAL A 118 21.091 -6.070 -6.963 1.00 0.00 C ATOM 1681 CG1 VAL A 118 21.212 -4.661 -7.525 1.00 0.00 C ATOM 1682 CG2 VAL A 118 22.459 -6.628 -6.604 1.00 0.00 C ATOM 0 H VAL A 118 18.834 -4.957 -6.900 1.00 0.00 H new ATOM 0 HA VAL A 118 19.993 -7.115 -5.425 1.00 0.00 H new ATOM 0 HB VAL A 118 20.655 -6.707 -7.733 1.00 0.00 H new ATOM 0 HG11 VAL A 118 21.871 -4.671 -8.393 1.00 0.00 H new ATOM 0 HG12 VAL A 118 20.227 -4.302 -7.822 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.625 -4.000 -6.763 1.00 0.00 H new ATOM 0 HG21 VAL A 118 23.101 -6.611 -7.485 1.00 0.00 H new ATOM 0 HG22 VAL A 118 22.905 -6.019 -5.818 1.00 0.00 H new ATOM 0 HG23 VAL A 118 22.352 -7.654 -6.252 1.00 0.00 H new