USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 816 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 104 ASN :FLIP amide:sc= 1.44 F(o=-2.1!,f=2.5) USER MOD Set 1.2: A 106 THR OG1 : rot -52:sc= 1.1 USER MOD Set 2.1: A 83 MET CE :methyl -156:sc= -1.34 (180deg=-2.39) USER MOD Set 2.2: A 111 SER OG : rot 50:sc= 0.0435 USER MOD Set 3.1: A 49 CYS SG : rot 99:sc= -0.492 USER MOD Set 3.2: A 78 ASN : amide:sc= -6.54! C(o=-7!,f=-12!) USER MOD Single : A 17 GLN : amide:sc= -1.36 K(o=-1.4,f=-2.4!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 102:sc= 1.04 USER MOD Single : A 30 THR OG1 : rot -150:sc= 0.00304 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -1.54 F(o=-2.4!,f=-1.5) USER MOD Single : A 40 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.545) USER MOD Single : A 43 LYS NZ :NH3+ -158:sc= 0.0504 (180deg=0.00195) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0071 USER MOD Single : A 50 THR OG1 : rot -49:sc= -0.216 USER MOD Single : A 52 MET CE :methyl 174:sc= -0.0776 (180deg=-0.135) USER MOD Single : A 53 ASN :FLIP amide:sc= -0.0203 F(o=-0.93,f=-0.02) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.299 X(o=-0.3,f=0) USER MOD Single : A 59 SER OG : rot -77:sc= 0.0402 USER MOD Single : A 62 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00914) USER MOD Single : A 64 ASN : amide:sc= -0.0576 X(o=-0.058,f=-0.5) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0901 K(o=-0.09,f=-0.91) USER MOD Single : A 69 ASN : amide:sc= -0.0977 K(o=-0.098,f=-1.5) USER MOD Single : A 71 HIS : no HD1:sc= -1.56 K(o=-1.6,f=-2.3) USER MOD Single : A 72 GLN : amide:sc= -1.43 X(o=-1.4,f=-1.7) USER MOD Single : A 75 ASN : amide:sc= 2.02 K(o=2,f=-7.6!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0336) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 30:sc= 0 USER MOD Single : A 88 MET CE :methyl -116:sc= -2.36 (180deg=-2.56!) USER MOD Single : A 89 ASN : amide:sc= -0.0309 K(o=-0.031,f=-1.4!) USER MOD Single : A 97 ASN : amide:sc= -0.0527 X(o=-0.053,f=-0.053) USER MOD Single : A 102 SER OG : rot -5:sc= 0.363 USER MOD Single : A 105 MET CE :methyl -146:sc= -0.657 (180deg=-2.7!) USER MOD Single : A 107 GLN : amide:sc= -0.0702 K(o=-0.07,f=-1.1) USER MOD Single : A 109 GLN : amide:sc= -0.229 K(o=-0.23,f=-2.2!) USER MOD Single : A 118 LYS NZ :NH3+ 160:sc= -0.25 (180deg=-0.875) USER MOD ----------------------------------------------------------------- ATOM 196 N ASP A 15 5.709 -12.175 9.747 1.00 0.00 N ATOM 197 CA ASP A 15 6.981 -12.889 9.756 1.00 0.00 C ATOM 198 C ASP A 15 8.150 -11.915 9.668 1.00 0.00 C ATOM 199 O ASP A 15 8.105 -10.914 8.953 1.00 0.00 O ATOM 200 CB ASP A 15 7.040 -13.884 8.595 1.00 0.00 C ATOM 201 CG ASP A 15 7.888 -15.099 8.917 1.00 0.00 C ATOM 202 OD1 ASP A 15 7.575 -15.795 9.905 1.00 0.00 O ATOM 203 OD2 ASP A 15 8.865 -15.352 8.182 1.00 0.00 O ATOM 0 HA ASP A 15 7.057 -13.436 10.696 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.029 -14.206 8.344 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.444 -13.386 7.713 1.00 0.00 H new ATOM 208 N PRO A 16 9.226 -12.212 10.413 1.00 0.00 N ATOM 209 CA PRO A 16 10.428 -11.374 10.437 1.00 0.00 C ATOM 210 C PRO A 16 11.201 -11.432 9.123 1.00 0.00 C ATOM 211 O PRO A 16 11.966 -10.523 8.803 1.00 0.00 O ATOM 212 CB PRO A 16 11.259 -11.978 11.572 1.00 0.00 C ATOM 213 CG PRO A 16 10.808 -13.396 11.660 1.00 0.00 C ATOM 214 CD PRO A 16 9.351 -13.389 11.289 1.00 0.00 C ATOM 0 HA PRO A 16 10.187 -10.321 10.580 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.326 -11.915 11.358 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.090 -11.450 12.510 1.00 0.00 H new ATOM 0 HG2 PRO A 16 11.380 -14.031 10.983 1.00 0.00 H new ATOM 0 HG3 PRO A 16 10.953 -13.790 12.666 1.00 0.00 H new ATOM 0 HD2 PRO A 16 9.063 -14.305 10.774 1.00 0.00 H new ATOM 0 HD3 PRO A 16 8.713 -13.304 12.169 1.00 0.00 H new ATOM 222 N GLN A 17 10.995 -12.506 8.367 1.00 0.00 N ATOM 223 CA GLN A 17 11.673 -12.681 7.088 1.00 0.00 C ATOM 224 C GLN A 17 10.943 -11.932 5.978 1.00 0.00 C ATOM 225 O GLN A 17 11.561 -11.239 5.170 1.00 0.00 O ATOM 226 CB GLN A 17 11.772 -14.166 6.738 1.00 0.00 C ATOM 227 CG GLN A 17 12.887 -14.891 7.473 1.00 0.00 C ATOM 228 CD GLN A 17 12.430 -15.485 8.790 1.00 0.00 C ATOM 229 OE1 GLN A 17 12.919 -15.111 9.857 1.00 0.00 O ATOM 230 NE2 GLN A 17 11.486 -16.416 8.724 1.00 0.00 N ATOM 0 H GLN A 17 10.364 -13.267 8.618 1.00 0.00 H new ATOM 0 HA GLN A 17 12.678 -12.269 7.179 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.822 -14.649 6.968 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.930 -14.268 5.664 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.279 -15.685 6.838 1.00 0.00 H new ATOM 0 HG3 GLN A 17 13.707 -14.196 7.657 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.108 -16.696 7.819 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.138 -16.851 9.578 1.00 0.00 H new ATOM 239 N LYS A 18 9.622 -12.076 5.944 1.00 0.00 N ATOM 240 CA LYS A 18 8.806 -11.414 4.933 1.00 0.00 C ATOM 241 C LYS A 18 9.072 -9.912 4.918 1.00 0.00 C ATOM 242 O LYS A 18 9.257 -9.317 3.857 1.00 0.00 O ATOM 243 CB LYS A 18 7.321 -11.676 5.196 1.00 0.00 C ATOM 244 CG LYS A 18 6.886 -13.092 4.862 1.00 0.00 C ATOM 245 CD LYS A 18 6.492 -13.224 3.400 1.00 0.00 C ATOM 246 CE LYS A 18 5.439 -14.304 3.202 1.00 0.00 C ATOM 247 NZ LYS A 18 4.949 -14.349 1.797 1.00 0.00 N ATOM 0 H LYS A 18 9.094 -12.645 6.605 1.00 0.00 H new ATOM 0 HA LYS A 18 9.075 -11.823 3.959 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.106 -11.477 6.246 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.727 -10.974 4.610 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.697 -13.785 5.085 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.043 -13.373 5.494 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.109 -12.270 3.038 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.374 -13.460 2.804 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.858 -15.273 3.472 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.600 -14.121 3.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.233 -15.097 1.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.526 -13.432 1.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.745 -14.549 1.158 1.00 0.00 H new ATOM 261 N GLU A 19 9.092 -9.306 6.101 1.00 0.00 N ATOM 262 CA GLU A 19 9.337 -7.874 6.221 1.00 0.00 C ATOM 263 C GLU A 19 10.419 -7.422 5.243 1.00 0.00 C ATOM 264 O GLU A 19 10.280 -6.397 4.578 1.00 0.00 O ATOM 265 CB GLU A 19 9.749 -7.522 7.652 1.00 0.00 C ATOM 266 CG GLU A 19 10.192 -6.078 7.821 1.00 0.00 C ATOM 267 CD GLU A 19 11.637 -5.860 7.420 1.00 0.00 C ATOM 268 OE1 GLU A 19 11.885 -5.576 6.230 1.00 0.00 O ATOM 269 OE2 GLU A 19 12.520 -5.972 8.296 1.00 0.00 O ATOM 0 H GLU A 19 8.942 -9.784 6.989 1.00 0.00 H new ATOM 0 HA GLU A 19 8.411 -7.352 5.978 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.910 -7.716 8.321 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.561 -8.181 7.960 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.551 -5.433 7.220 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.059 -5.781 8.861 1.00 0.00 H new ATOM 276 N ALA A 20 11.496 -8.198 5.163 1.00 0.00 N ATOM 277 CA ALA A 20 12.600 -7.879 4.267 1.00 0.00 C ATOM 278 C ALA A 20 12.174 -7.997 2.807 1.00 0.00 C ATOM 279 O ALA A 20 12.584 -7.199 1.965 1.00 0.00 O ATOM 280 CB ALA A 20 13.787 -8.790 4.548 1.00 0.00 C ATOM 0 H ALA A 20 11.627 -9.051 5.707 1.00 0.00 H new ATOM 0 HA ALA A 20 12.897 -6.846 4.449 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.605 -8.541 3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 20 14.114 -8.654 5.579 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.493 -9.828 4.395 1.00 0.00 H new ATOM 286 N GLU A 21 11.350 -8.999 2.514 1.00 0.00 N ATOM 287 CA GLU A 21 10.871 -9.222 1.156 1.00 0.00 C ATOM 288 C GLU A 21 10.152 -7.984 0.623 1.00 0.00 C ATOM 289 O GLU A 21 10.257 -7.652 -0.558 1.00 0.00 O ATOM 290 CB GLU A 21 9.931 -10.428 1.114 1.00 0.00 C ATOM 291 CG GLU A 21 10.581 -11.722 1.572 1.00 0.00 C ATOM 292 CD GLU A 21 9.868 -12.952 1.045 1.00 0.00 C ATOM 293 OE1 GLU A 21 9.833 -13.135 -0.190 1.00 0.00 O ATOM 294 OE2 GLU A 21 9.346 -13.733 1.868 1.00 0.00 O ATOM 0 H GLU A 21 11.001 -9.669 3.200 1.00 0.00 H new ATOM 0 HA GLU A 21 11.735 -9.422 0.522 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.064 -10.224 1.743 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.563 -10.556 0.096 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.620 -11.739 1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.593 -11.752 2.662 1.00 0.00 H new ATOM 301 N LEU A 22 9.422 -7.307 1.503 1.00 0.00 N ATOM 302 CA LEU A 22 8.685 -6.108 1.123 1.00 0.00 C ATOM 303 C LEU A 22 9.638 -4.950 0.839 1.00 0.00 C ATOM 304 O LEU A 22 9.776 -4.514 -0.304 1.00 0.00 O ATOM 305 CB LEU A 22 7.704 -5.716 2.229 1.00 0.00 C ATOM 306 CG LEU A 22 6.601 -6.729 2.537 1.00 0.00 C ATOM 307 CD1 LEU A 22 5.840 -6.325 3.790 1.00 0.00 C ATOM 308 CD2 LEU A 22 5.652 -6.862 1.355 1.00 0.00 C ATOM 0 H LEU A 22 9.325 -7.568 2.484 1.00 0.00 H new ATOM 0 HA LEU A 22 8.127 -6.328 0.213 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.270 -5.537 3.143 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.235 -4.771 1.954 1.00 0.00 H new ATOM 0 HG LEU A 22 7.066 -7.699 2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.059 -7.058 3.993 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.527 -6.283 4.635 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.388 -5.345 3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.874 -7.587 1.593 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.195 -5.895 1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.207 -7.199 0.479 1.00 0.00 H new ATOM 320 N ARG A 23 10.293 -4.460 1.886 1.00 0.00 N ATOM 321 CA ARG A 23 11.233 -3.355 1.750 1.00 0.00 C ATOM 322 C ARG A 23 12.180 -3.589 0.576 1.00 0.00 C ATOM 323 O ARG A 23 12.588 -2.647 -0.104 1.00 0.00 O ATOM 324 CB ARG A 23 12.035 -3.177 3.040 1.00 0.00 C ATOM 325 CG ARG A 23 12.870 -4.393 3.410 1.00 0.00 C ATOM 326 CD ARG A 23 14.273 -4.303 2.831 1.00 0.00 C ATOM 327 NE ARG A 23 15.142 -5.363 3.334 1.00 0.00 N ATOM 328 CZ ARG A 23 16.468 -5.292 3.326 1.00 0.00 C ATOM 329 NH1 ARG A 23 17.074 -4.217 2.841 1.00 0.00 N ATOM 330 NH2 ARG A 23 17.191 -6.298 3.802 1.00 0.00 N ATOM 0 H ARG A 23 10.190 -4.811 2.838 1.00 0.00 H new ATOM 0 HA ARG A 23 10.662 -2.446 1.558 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.692 -2.314 2.933 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.349 -2.956 3.857 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.928 -4.479 4.495 1.00 0.00 H new ATOM 0 HG3 ARG A 23 12.382 -5.296 3.044 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.221 -4.362 1.744 1.00 0.00 H new ATOM 0 HD3 ARG A 23 14.705 -3.333 3.077 1.00 0.00 H new ATOM 0 HE ARG A 23 14.707 -6.204 3.712 1.00 0.00 H new ATOM 0 HH11 ARG A 23 16.522 -3.443 2.473 1.00 0.00 H new ATOM 0 HH12 ARG A 23 18.093 -4.165 2.836 1.00 0.00 H new ATOM 0 HH21 ARG A 23 16.728 -7.127 4.175 1.00 0.00 H new ATOM 0 HH22 ARG A 23 18.209 -6.242 3.795 1.00 0.00 H new ATOM 344 N THR A 24 12.528 -4.851 0.346 1.00 0.00 N ATOM 345 CA THR A 24 13.428 -5.209 -0.743 1.00 0.00 C ATOM 346 C THR A 24 12.742 -5.060 -2.096 1.00 0.00 C ATOM 347 O THR A 24 13.391 -4.787 -3.105 1.00 0.00 O ATOM 348 CB THR A 24 13.940 -6.655 -0.596 1.00 0.00 C ATOM 349 OG1 THR A 24 14.613 -6.811 0.657 1.00 0.00 O ATOM 350 CG2 THR A 24 14.884 -7.012 -1.734 1.00 0.00 C ATOM 0 H THR A 24 12.200 -5.642 0.900 1.00 0.00 H new ATOM 0 HA THR A 24 14.274 -4.524 -0.691 1.00 0.00 H new ATOM 0 HB THR A 24 13.083 -7.327 -0.632 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.023 -7.271 1.290 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.233 -8.037 -1.609 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.359 -6.920 -2.685 1.00 0.00 H new ATOM 0 HG23 THR A 24 15.738 -6.335 -1.725 1.00 0.00 H new ATOM 358 N TRP A 25 11.425 -5.240 -2.110 1.00 0.00 N ATOM 359 CA TRP A 25 10.651 -5.123 -3.339 1.00 0.00 C ATOM 360 C TRP A 25 10.236 -3.678 -3.588 1.00 0.00 C ATOM 361 O TRP A 25 10.128 -3.241 -4.734 1.00 0.00 O ATOM 362 CB TRP A 25 9.412 -6.019 -3.272 1.00 0.00 C ATOM 363 CG TRP A 25 8.304 -5.567 -4.175 1.00 0.00 C ATOM 364 CD1 TRP A 25 8.278 -5.633 -5.539 1.00 0.00 C ATOM 365 CD2 TRP A 25 7.061 -4.978 -3.776 1.00 0.00 C ATOM 366 NE1 TRP A 25 7.095 -5.120 -6.012 1.00 0.00 N ATOM 367 CE2 TRP A 25 6.330 -4.713 -4.952 1.00 0.00 C ATOM 368 CE3 TRP A 25 6.493 -4.650 -2.542 1.00 0.00 C ATOM 369 CZ2 TRP A 25 5.064 -4.136 -4.926 1.00 0.00 C ATOM 370 CZ3 TRP A 25 5.236 -4.077 -2.519 1.00 0.00 C ATOM 371 CH2 TRP A 25 4.532 -3.825 -3.703 1.00 0.00 C ATOM 0 H TRP A 25 10.872 -5.467 -1.284 1.00 0.00 H new ATOM 0 HA TRP A 25 11.281 -5.446 -4.167 1.00 0.00 H new ATOM 0 HB2 TRP A 25 9.694 -7.038 -3.537 1.00 0.00 H new ATOM 0 HB3 TRP A 25 9.047 -6.046 -2.245 1.00 0.00 H new ATOM 0 HD1 TRP A 25 9.071 -6.030 -6.155 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.829 -5.053 -6.994 1.00 0.00 H new ATOM 0 HE3 TRP A 25 7.027 -4.841 -1.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.520 -3.940 -5.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.788 -3.819 -1.571 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.551 -3.377 -3.651 1.00 0.00 H new ATOM 382 N ILE A 26 10.006 -2.939 -2.507 1.00 0.00 N ATOM 383 CA ILE A 26 9.604 -1.542 -2.609 1.00 0.00 C ATOM 384 C ILE A 26 10.806 -0.642 -2.879 1.00 0.00 C ATOM 385 O ILE A 26 10.817 0.121 -3.844 1.00 0.00 O ATOM 386 CB ILE A 26 8.898 -1.064 -1.327 1.00 0.00 C ATOM 387 CG1 ILE A 26 7.753 -2.013 -0.965 1.00 0.00 C ATOM 388 CG2 ILE A 26 8.380 0.356 -1.504 1.00 0.00 C ATOM 389 CD1 ILE A 26 7.166 -1.755 0.405 1.00 0.00 C ATOM 0 H ILE A 26 10.091 -3.285 -1.551 1.00 0.00 H new ATOM 0 HA ILE A 26 8.907 -1.475 -3.445 1.00 0.00 H new ATOM 0 HB ILE A 26 9.620 -1.067 -0.510 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.965 -1.921 -1.712 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.115 -3.040 -1.009 1.00 0.00 H new ATOM 0 HG21 ILE A 26 7.884 0.679 -0.589 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.214 1.024 -1.719 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.670 0.384 -2.331 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.360 -2.464 0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.941 -1.876 1.162 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.773 -0.739 0.447 1.00 0.00 H new ATOM 401 N GLU A 27 11.816 -0.741 -2.022 1.00 0.00 N ATOM 402 CA GLU A 27 13.024 0.064 -2.170 1.00 0.00 C ATOM 403 C GLU A 27 13.449 0.144 -3.633 1.00 0.00 C ATOM 404 O GLU A 27 13.819 1.209 -4.125 1.00 0.00 O ATOM 405 CB GLU A 27 14.160 -0.523 -1.329 1.00 0.00 C ATOM 406 CG GLU A 27 14.146 -0.063 0.119 1.00 0.00 C ATOM 407 CD GLU A 27 15.432 -0.399 0.850 1.00 0.00 C ATOM 408 OE1 GLU A 27 15.773 -1.597 0.931 1.00 0.00 O ATOM 409 OE2 GLU A 27 16.095 0.539 1.341 1.00 0.00 O ATOM 0 H GLU A 27 11.823 -1.369 -1.219 1.00 0.00 H new ATOM 0 HA GLU A 27 12.804 1.072 -1.818 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.096 -1.611 -1.356 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.114 -0.248 -1.780 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.984 1.014 0.153 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.306 -0.528 0.636 1.00 0.00 H new ATOM 416 N GLY A 28 13.391 -0.991 -4.323 1.00 0.00 N ATOM 417 CA GLY A 28 13.773 -1.028 -5.722 1.00 0.00 C ATOM 418 C GLY A 28 12.727 -0.405 -6.626 1.00 0.00 C ATOM 419 O GLY A 28 13.058 0.207 -7.643 1.00 0.00 O ATOM 0 H GLY A 28 13.086 -1.885 -3.938 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.719 -0.503 -5.851 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.939 -2.062 -6.023 1.00 0.00 H new ATOM 423 N LEU A 29 11.461 -0.561 -6.257 1.00 0.00 N ATOM 424 CA LEU A 29 10.361 -0.009 -7.042 1.00 0.00 C ATOM 425 C LEU A 29 10.417 1.515 -7.060 1.00 0.00 C ATOM 426 O LEU A 29 10.505 2.132 -8.123 1.00 0.00 O ATOM 427 CB LEU A 29 9.019 -0.476 -6.474 1.00 0.00 C ATOM 428 CG LEU A 29 8.457 -1.772 -7.059 1.00 0.00 C ATOM 429 CD1 LEU A 29 7.503 -2.430 -6.076 1.00 0.00 C ATOM 430 CD2 LEU A 29 7.759 -1.501 -8.384 1.00 0.00 C ATOM 0 H LEU A 29 11.170 -1.065 -5.419 1.00 0.00 H new ATOM 0 HA LEU A 29 10.460 -0.370 -8.066 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.128 -0.604 -5.397 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.286 0.316 -6.628 1.00 0.00 H new ATOM 0 HG LEU A 29 9.286 -2.456 -7.242 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.113 -3.351 -6.509 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.034 -2.660 -5.152 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.677 -1.752 -5.861 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.365 -2.435 -8.786 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.940 -0.800 -8.227 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.471 -1.074 -9.090 1.00 0.00 H new ATOM 442 N THR A 30 10.366 2.119 -5.877 1.00 0.00 N ATOM 443 CA THR A 30 10.412 3.570 -5.757 1.00 0.00 C ATOM 444 C THR A 30 11.847 4.082 -5.808 1.00 0.00 C ATOM 445 O THR A 30 12.100 5.207 -6.236 1.00 0.00 O ATOM 446 CB THR A 30 9.756 4.046 -4.447 1.00 0.00 C ATOM 447 OG1 THR A 30 10.529 3.609 -3.324 1.00 0.00 O ATOM 448 CG2 THR A 30 8.335 3.514 -4.327 1.00 0.00 C ATOM 0 H THR A 30 10.293 1.625 -4.988 1.00 0.00 H new ATOM 0 HA THR A 30 9.855 3.974 -6.602 1.00 0.00 H new ATOM 0 HB THR A 30 9.720 5.135 -4.462 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.939 3.473 -2.554 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.893 3.864 -3.394 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.740 3.873 -5.167 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.353 2.424 -4.334 1.00 0.00 H new ATOM 456 N GLY A 31 12.784 3.247 -5.369 1.00 0.00 N ATOM 457 CA GLY A 31 14.182 3.633 -5.374 1.00 0.00 C ATOM 458 C GLY A 31 14.552 4.493 -4.182 1.00 0.00 C ATOM 459 O GLY A 31 15.569 5.187 -4.198 1.00 0.00 O ATOM 0 H GLY A 31 12.599 2.310 -5.010 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.803 2.737 -5.378 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.402 4.177 -6.293 1.00 0.00 H new ATOM 463 N LEU A 32 13.723 4.448 -3.144 1.00 0.00 N ATOM 464 CA LEU A 32 13.967 5.230 -1.936 1.00 0.00 C ATOM 465 C LEU A 32 14.499 4.347 -0.813 1.00 0.00 C ATOM 466 O LEU A 32 14.597 3.128 -0.962 1.00 0.00 O ATOM 467 CB LEU A 32 12.680 5.926 -1.488 1.00 0.00 C ATOM 468 CG LEU A 32 12.036 6.868 -2.506 1.00 0.00 C ATOM 469 CD1 LEU A 32 10.569 7.091 -2.174 1.00 0.00 C ATOM 470 CD2 LEU A 32 12.782 8.193 -2.553 1.00 0.00 C ATOM 0 H LEU A 32 12.877 3.879 -3.115 1.00 0.00 H new ATOM 0 HA LEU A 32 14.720 5.984 -2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.952 5.161 -1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.894 6.494 -0.583 1.00 0.00 H new ATOM 0 HG LEU A 32 12.097 6.405 -3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.128 7.764 -2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 32 10.042 6.137 -2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.484 7.532 -1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.310 8.851 -3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.753 8.662 -1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.819 8.017 -2.841 1.00 0.00 H new ATOM 482 N SER A 33 14.838 4.968 0.311 1.00 0.00 N ATOM 483 CA SER A 33 15.362 4.238 1.460 1.00 0.00 C ATOM 484 C SER A 33 14.447 4.401 2.671 1.00 0.00 C ATOM 485 O SER A 33 14.350 5.485 3.247 1.00 0.00 O ATOM 486 CB SER A 33 16.771 4.725 1.802 1.00 0.00 C ATOM 487 OG SER A 33 17.605 4.718 0.656 1.00 0.00 O ATOM 0 H SER A 33 14.759 5.975 0.451 1.00 0.00 H new ATOM 0 HA SER A 33 15.405 3.181 1.198 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.721 5.733 2.213 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.202 4.087 2.574 1.00 0.00 H new ATOM 0 HG SER A 33 18.500 5.035 0.900 1.00 0.00 H new ATOM 493 N ILE A 34 13.779 3.317 3.050 1.00 0.00 N ATOM 494 CA ILE A 34 12.873 3.340 4.191 1.00 0.00 C ATOM 495 C ILE A 34 13.562 3.904 5.429 1.00 0.00 C ATOM 496 O ILE A 34 13.132 4.913 5.985 1.00 0.00 O ATOM 497 CB ILE A 34 12.337 1.932 4.513 1.00 0.00 C ATOM 498 CG1 ILE A 34 11.525 1.390 3.334 1.00 0.00 C ATOM 499 CG2 ILE A 34 11.491 1.962 5.776 1.00 0.00 C ATOM 500 CD1 ILE A 34 11.547 -0.118 3.226 1.00 0.00 C ATOM 0 H ILE A 34 13.848 2.412 2.584 1.00 0.00 H new ATOM 0 HA ILE A 34 12.038 3.984 3.917 1.00 0.00 H new ATOM 0 HB ILE A 34 13.184 1.268 4.683 1.00 0.00 H new ATOM 0 HG12 ILE A 34 10.492 1.724 3.431 1.00 0.00 H new ATOM 0 HG13 ILE A 34 11.913 1.818 2.409 1.00 0.00 H new ATOM 0 HG21 ILE A 34 11.120 0.960 5.989 1.00 0.00 H new ATOM 0 HG22 ILE A 34 12.098 2.310 6.612 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.648 2.638 5.633 1.00 0.00 H new ATOM 0 HD11 ILE A 34 10.951 -0.430 2.368 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.574 -0.459 3.097 1.00 0.00 H new ATOM 0 HD13 ILE A 34 11.132 -0.554 4.135 1.00 0.00 H new ATOM 512 N GLY A 35 14.635 3.244 5.854 1.00 0.00 N ATOM 513 CA GLY A 35 15.368 3.694 7.023 1.00 0.00 C ATOM 514 C GLY A 35 15.548 2.598 8.053 1.00 0.00 C ATOM 515 O GLY A 35 15.193 1.441 7.829 1.00 0.00 O ATOM 0 H GLY A 35 15.010 2.406 5.410 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.346 4.062 6.715 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.841 4.532 7.478 1.00 0.00 H new ATOM 519 N PRO A 36 16.116 2.958 9.214 1.00 0.00 N ATOM 520 CA PRO A 36 16.357 2.010 10.306 1.00 0.00 C ATOM 521 C PRO A 36 15.063 1.548 10.969 1.00 0.00 C ATOM 522 O PRO A 36 14.963 0.412 11.432 1.00 0.00 O ATOM 523 CB PRO A 36 17.206 2.814 11.293 1.00 0.00 C ATOM 524 CG PRO A 36 16.855 4.237 11.024 1.00 0.00 C ATOM 525 CD PRO A 36 16.564 4.320 9.551 1.00 0.00 C ATOM 0 HA PRO A 36 16.838 1.097 9.954 1.00 0.00 H new ATOM 0 HB2 PRO A 36 16.982 2.539 12.324 1.00 0.00 H new ATOM 0 HB3 PRO A 36 18.270 2.633 11.139 1.00 0.00 H new ATOM 0 HG2 PRO A 36 15.989 4.543 11.611 1.00 0.00 H new ATOM 0 HG3 PRO A 36 17.676 4.900 11.298 1.00 0.00 H new ATOM 0 HD2 PRO A 36 15.795 5.061 9.335 1.00 0.00 H new ATOM 0 HD3 PRO A 36 17.449 4.604 8.982 1.00 0.00 H new ATOM 533 N ASP A 37 14.076 2.435 11.010 1.00 0.00 N ATOM 534 CA ASP A 37 12.787 2.118 11.614 1.00 0.00 C ATOM 535 C ASP A 37 11.715 1.934 10.545 1.00 0.00 C ATOM 536 O ASP A 37 11.100 2.902 10.095 1.00 0.00 O ATOM 537 CB ASP A 37 12.370 3.222 12.588 1.00 0.00 C ATOM 538 CG ASP A 37 13.283 3.302 13.796 1.00 0.00 C ATOM 539 OD1 ASP A 37 14.412 3.817 13.654 1.00 0.00 O ATOM 540 OD2 ASP A 37 12.867 2.853 14.884 1.00 0.00 O ATOM 0 H ASP A 37 14.143 3.380 10.632 1.00 0.00 H new ATOM 0 HA ASP A 37 12.892 1.181 12.162 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.373 4.181 12.069 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.347 3.043 12.920 1.00 0.00 H new ATOM 545 N PHE A 38 11.497 0.688 10.140 1.00 0.00 N ATOM 546 CA PHE A 38 10.501 0.378 9.122 1.00 0.00 C ATOM 547 C PHE A 38 9.195 1.118 9.394 1.00 0.00 C ATOM 548 O PHE A 38 8.772 1.961 8.604 1.00 0.00 O ATOM 549 CB PHE A 38 10.244 -1.131 9.071 1.00 0.00 C ATOM 550 CG PHE A 38 9.379 -1.553 7.919 1.00 0.00 C ATOM 551 CD1 PHE A 38 9.868 -1.529 6.622 1.00 0.00 C ATOM 552 CD2 PHE A 38 8.076 -1.974 8.131 1.00 0.00 C ATOM 553 CE1 PHE A 38 9.072 -1.917 5.560 1.00 0.00 C ATOM 554 CE2 PHE A 38 7.277 -2.364 7.073 1.00 0.00 C ATOM 555 CZ PHE A 38 7.777 -2.336 5.787 1.00 0.00 C ATOM 0 H PHE A 38 11.997 -0.124 10.502 1.00 0.00 H new ATOM 0 HA PHE A 38 10.890 0.706 8.158 1.00 0.00 H new ATOM 0 HB2 PHE A 38 11.199 -1.652 9.008 1.00 0.00 H new ATOM 0 HB3 PHE A 38 9.772 -1.443 10.003 1.00 0.00 H new ATOM 0 HD1 PHE A 38 10.882 -1.204 6.439 1.00 0.00 H new ATOM 0 HD2 PHE A 38 7.680 -1.998 9.135 1.00 0.00 H new ATOM 0 HE1 PHE A 38 9.463 -1.892 4.554 1.00 0.00 H new ATOM 0 HE2 PHE A 38 6.263 -2.690 7.252 1.00 0.00 H new ATOM 0 HZ PHE A 38 7.155 -2.642 4.959 1.00 0.00 H new ATOM 565 N GLN A 39 8.562 0.796 10.518 1.00 0.00 N ATOM 566 CA GLN A 39 7.305 1.430 10.894 1.00 0.00 C ATOM 567 C GLN A 39 7.373 2.940 10.690 1.00 0.00 C ATOM 568 O GLN A 39 6.417 3.558 10.220 1.00 0.00 O ATOM 569 CB GLN A 39 6.966 1.115 12.352 1.00 0.00 C ATOM 570 CG GLN A 39 5.654 1.723 12.818 1.00 0.00 C ATOM 571 CD GLN A 39 5.830 3.111 13.403 1.00 0.00 C ATOM 572 OE1 GLN A 39 5.090 4.077 12.871 1.00 0.00 O flip ATOM 573 NE2 GLN A 39 6.623 3.315 14.323 1.00 0.00 N flip ATOM 0 H GLN A 39 8.899 0.100 11.183 1.00 0.00 H new ATOM 0 HA GLN A 39 6.520 1.031 10.251 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.921 0.033 12.480 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.772 1.478 12.990 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.962 1.772 11.978 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.202 1.072 13.566 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.172 2.544 14.703 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.730 4.255 14.705 1.00 0.00 H new ATOM 582 N LYS A 40 8.509 3.528 11.048 1.00 0.00 N ATOM 583 CA LYS A 40 8.705 4.966 10.904 1.00 0.00 C ATOM 584 C LYS A 40 8.756 5.364 9.432 1.00 0.00 C ATOM 585 O LYS A 40 7.841 6.010 8.922 1.00 0.00 O ATOM 586 CB LYS A 40 9.994 5.399 11.605 1.00 0.00 C ATOM 587 CG LYS A 40 10.040 5.030 13.078 1.00 0.00 C ATOM 588 CD LYS A 40 9.206 5.983 13.918 1.00 0.00 C ATOM 589 CE LYS A 40 10.036 7.152 14.425 1.00 0.00 C ATOM 590 NZ LYS A 40 9.978 8.317 13.498 1.00 0.00 N ATOM 0 H LYS A 40 9.309 3.031 11.440 1.00 0.00 H new ATOM 0 HA LYS A 40 7.858 5.471 11.370 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.844 4.942 11.098 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.106 6.479 11.506 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.674 4.012 13.210 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.073 5.046 13.426 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.372 6.358 13.325 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.779 5.445 14.764 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.677 7.453 15.409 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.072 6.836 14.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.204 9.188 14.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.667 8.185 12.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.022 8.393 13.096 1.00 0.00 H new ATOM 604 N GLY A 41 9.830 4.971 8.754 1.00 0.00 N ATOM 605 CA GLY A 41 9.978 5.294 7.347 1.00 0.00 C ATOM 606 C GLY A 41 8.649 5.340 6.620 1.00 0.00 C ATOM 607 O GLY A 41 8.436 6.191 5.754 1.00 0.00 O ATOM 0 H GLY A 41 10.600 4.435 9.154 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.476 6.259 7.249 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.622 4.553 6.873 1.00 0.00 H new ATOM 611 N LEU A 42 7.754 4.423 6.968 1.00 0.00 N ATOM 612 CA LEU A 42 6.439 4.361 6.340 1.00 0.00 C ATOM 613 C LEU A 42 5.423 5.189 7.121 1.00 0.00 C ATOM 614 O LEU A 42 4.522 5.794 6.539 1.00 0.00 O ATOM 615 CB LEU A 42 5.965 2.909 6.246 1.00 0.00 C ATOM 616 CG LEU A 42 6.989 1.901 5.722 1.00 0.00 C ATOM 617 CD1 LEU A 42 6.447 0.485 5.831 1.00 0.00 C ATOM 618 CD2 LEU A 42 7.364 2.222 4.283 1.00 0.00 C ATOM 0 H LEU A 42 7.915 3.712 7.682 1.00 0.00 H new ATOM 0 HA LEU A 42 6.523 4.776 5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.643 2.588 7.237 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.088 2.875 5.600 1.00 0.00 H new ATOM 0 HG LEU A 42 7.888 1.972 6.335 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.189 -0.219 5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.230 0.258 6.875 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.533 0.399 5.243 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.093 1.495 3.926 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.473 2.179 3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.795 3.222 4.234 1.00 0.00 H new ATOM 630 N LYS A 43 5.577 5.214 8.440 1.00 0.00 N ATOM 631 CA LYS A 43 4.676 5.972 9.301 1.00 0.00 C ATOM 632 C LYS A 43 4.197 7.242 8.605 1.00 0.00 C ATOM 633 O LYS A 43 3.019 7.372 8.271 1.00 0.00 O ATOM 634 CB LYS A 43 5.374 6.329 10.615 1.00 0.00 C ATOM 635 CG LYS A 43 4.509 7.144 11.561 1.00 0.00 C ATOM 636 CD LYS A 43 5.353 7.939 12.543 1.00 0.00 C ATOM 637 CE LYS A 43 4.642 9.207 12.991 1.00 0.00 C ATOM 638 NZ LYS A 43 3.811 8.977 14.206 1.00 0.00 N ATOM 0 H LYS A 43 6.317 4.718 8.937 1.00 0.00 H new ATOM 0 HA LYS A 43 3.808 5.348 9.515 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.679 5.410 11.116 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.283 6.889 10.394 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.881 7.824 10.986 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.841 6.479 12.109 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.580 7.322 13.412 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.305 8.199 12.079 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.379 9.983 13.197 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.010 9.574 12.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.076 9.710 14.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.362 8.041 14.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.414 9.019 15.052 1.00 0.00 H new ATOM 652 N ASP A 44 5.118 8.174 8.388 1.00 0.00 N ATOM 653 CA ASP A 44 4.790 9.433 7.729 1.00 0.00 C ATOM 654 C ASP A 44 4.020 9.185 6.437 1.00 0.00 C ATOM 655 O ASP A 44 3.093 9.922 6.103 1.00 0.00 O ATOM 656 CB ASP A 44 6.065 10.225 7.434 1.00 0.00 C ATOM 657 CG ASP A 44 7.083 10.123 8.552 1.00 0.00 C ATOM 658 OD1 ASP A 44 6.674 10.162 9.732 1.00 0.00 O ATOM 659 OD2 ASP A 44 8.289 10.003 8.249 1.00 0.00 O ATOM 0 H ASP A 44 6.097 8.082 8.659 1.00 0.00 H new ATOM 0 HA ASP A 44 4.158 10.013 8.401 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.509 9.860 6.508 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.809 11.272 7.274 1.00 0.00 H new ATOM 664 N GLY A 45 4.411 8.143 5.710 1.00 0.00 N ATOM 665 CA GLY A 45 3.747 7.817 4.462 1.00 0.00 C ATOM 666 C GLY A 45 4.371 8.521 3.272 1.00 0.00 C ATOM 667 O GLY A 45 3.684 8.852 2.307 1.00 0.00 O ATOM 0 H GLY A 45 5.176 7.518 5.964 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.786 6.739 4.304 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.694 8.091 4.532 1.00 0.00 H new ATOM 671 N THR A 46 5.679 8.752 3.343 1.00 0.00 N ATOM 672 CA THR A 46 6.395 9.423 2.266 1.00 0.00 C ATOM 673 C THR A 46 6.725 8.453 1.137 1.00 0.00 C ATOM 674 O THR A 46 6.719 8.827 -0.037 1.00 0.00 O ATOM 675 CB THR A 46 7.700 10.065 2.774 1.00 0.00 C ATOM 676 OG1 THR A 46 8.441 9.118 3.550 1.00 0.00 O ATOM 677 CG2 THR A 46 7.404 11.298 3.614 1.00 0.00 C ATOM 0 H THR A 46 6.263 8.484 4.135 1.00 0.00 H new ATOM 0 HA THR A 46 5.737 10.205 1.888 1.00 0.00 H new ATOM 0 HB THR A 46 8.292 10.368 1.910 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.270 9.533 3.868 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.340 11.735 3.962 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.865 12.028 3.011 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.794 11.016 4.472 1.00 0.00 H new ATOM 685 N ILE A 47 7.011 7.208 1.499 1.00 0.00 N ATOM 686 CA ILE A 47 7.343 6.184 0.515 1.00 0.00 C ATOM 687 C ILE A 47 6.099 5.415 0.082 1.00 0.00 C ATOM 688 O ILE A 47 5.775 5.355 -1.105 1.00 0.00 O ATOM 689 CB ILE A 47 8.381 5.189 1.065 1.00 0.00 C ATOM 690 CG1 ILE A 47 9.617 5.936 1.572 1.00 0.00 C ATOM 691 CG2 ILE A 47 8.768 4.180 -0.007 1.00 0.00 C ATOM 692 CD1 ILE A 47 10.536 5.080 2.414 1.00 0.00 C ATOM 0 H ILE A 47 7.020 6.883 2.466 1.00 0.00 H new ATOM 0 HA ILE A 47 7.768 6.700 -0.346 1.00 0.00 H new ATOM 0 HB ILE A 47 7.937 4.649 1.901 1.00 0.00 H new ATOM 0 HG12 ILE A 47 10.174 6.322 0.718 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.296 6.797 2.159 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.503 3.483 0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.883 3.630 -0.325 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.196 4.703 -0.862 1.00 0.00 H new ATOM 0 HD11 ILE A 47 11.390 5.674 2.739 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.995 4.715 3.287 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.886 4.233 1.824 1.00 0.00 H new ATOM 704 N LEU A 48 5.404 4.831 1.051 1.00 0.00 N ATOM 705 CA LEU A 48 4.193 4.067 0.771 1.00 0.00 C ATOM 706 C LEU A 48 3.435 4.662 -0.411 1.00 0.00 C ATOM 707 O LEU A 48 2.866 3.935 -1.226 1.00 0.00 O ATOM 708 CB LEU A 48 3.291 4.033 2.006 1.00 0.00 C ATOM 709 CG LEU A 48 3.715 3.078 3.122 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.812 3.239 4.335 1.00 0.00 C ATOM 711 CD2 LEU A 48 3.698 1.639 2.628 1.00 0.00 C ATOM 0 H LEU A 48 5.658 4.872 2.038 1.00 0.00 H new ATOM 0 HA LEU A 48 4.486 3.049 0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.236 5.040 2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.284 3.764 1.688 1.00 0.00 H new ATOM 0 HG LEU A 48 4.734 3.327 3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.129 2.551 5.119 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.876 4.263 4.703 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.782 3.018 4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.003 0.973 3.436 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.691 1.378 2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.388 1.533 1.791 1.00 0.00 H new ATOM 723 N CYS A 49 3.434 5.987 -0.499 1.00 0.00 N ATOM 724 CA CYS A 49 2.746 6.681 -1.583 1.00 0.00 C ATOM 725 C CYS A 49 3.409 6.385 -2.924 1.00 0.00 C ATOM 726 O CYS A 49 2.784 5.834 -3.830 1.00 0.00 O ATOM 727 CB CYS A 49 2.737 8.189 -1.326 1.00 0.00 C ATOM 728 SG CYS A 49 1.509 8.722 -0.111 1.00 0.00 S ATOM 0 H CYS A 49 3.901 6.603 0.166 1.00 0.00 H new ATOM 0 HA CYS A 49 1.718 6.320 -1.619 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.726 8.495 -0.985 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.550 8.706 -2.267 1.00 0.00 H new ATOM 0 HG CYS A 49 2.082 8.877 1.046 1.00 0.00 H new ATOM 734 N THR A 50 4.680 6.757 -3.045 1.00 0.00 N ATOM 735 CA THR A 50 5.428 6.534 -4.277 1.00 0.00 C ATOM 736 C THR A 50 5.264 5.101 -4.767 1.00 0.00 C ATOM 737 O THR A 50 4.969 4.864 -5.939 1.00 0.00 O ATOM 738 CB THR A 50 6.927 6.831 -4.085 1.00 0.00 C ATOM 739 OG1 THR A 50 7.465 5.991 -3.058 1.00 0.00 O ATOM 740 CG2 THR A 50 7.147 8.292 -3.720 1.00 0.00 C ATOM 0 H THR A 50 5.213 7.214 -2.305 1.00 0.00 H new ATOM 0 HA THR A 50 5.022 7.218 -5.022 1.00 0.00 H new ATOM 0 HB THR A 50 7.439 6.627 -5.026 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.888 6.031 -2.267 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.213 8.478 -3.589 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.763 8.928 -4.517 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.623 8.518 -2.791 1.00 0.00 H new ATOM 748 N LEU A 51 5.457 4.145 -3.864 1.00 0.00 N ATOM 749 CA LEU A 51 5.329 2.733 -4.206 1.00 0.00 C ATOM 750 C LEU A 51 4.113 2.495 -5.093 1.00 0.00 C ATOM 751 O LEU A 51 4.203 1.826 -6.123 1.00 0.00 O ATOM 752 CB LEU A 51 5.222 1.888 -2.935 1.00 0.00 C ATOM 753 CG LEU A 51 4.703 0.462 -3.120 1.00 0.00 C ATOM 754 CD1 LEU A 51 5.673 -0.354 -3.958 1.00 0.00 C ATOM 755 CD2 LEU A 51 4.474 -0.201 -1.769 1.00 0.00 C ATOM 0 H LEU A 51 5.703 4.322 -2.890 1.00 0.00 H new ATOM 0 HA LEU A 51 6.221 2.436 -4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.207 1.838 -2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.566 2.404 -2.234 1.00 0.00 H new ATOM 0 HG LEU A 51 3.750 0.508 -3.647 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.287 -1.366 -4.079 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.787 0.110 -4.937 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.641 -0.392 -3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.105 -1.215 -1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.413 -0.235 -1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.740 0.372 -1.202 1.00 0.00 H new ATOM 767 N MET A 52 2.973 3.048 -4.688 1.00 0.00 N ATOM 768 CA MET A 52 1.739 2.899 -5.450 1.00 0.00 C ATOM 769 C MET A 52 1.866 3.545 -6.826 1.00 0.00 C ATOM 770 O MET A 52 1.644 2.899 -7.848 1.00 0.00 O ATOM 771 CB MET A 52 0.566 3.520 -4.687 1.00 0.00 C ATOM 772 CG MET A 52 -0.792 3.014 -5.145 1.00 0.00 C ATOM 773 SD MET A 52 -1.046 1.269 -4.771 1.00 0.00 S ATOM 774 CE MET A 52 -1.748 0.690 -6.315 1.00 0.00 C ATOM 0 H MET A 52 2.879 3.603 -3.837 1.00 0.00 H new ATOM 0 HA MET A 52 1.552 1.834 -5.586 1.00 0.00 H new ATOM 0 HB2 MET A 52 0.683 3.311 -3.624 1.00 0.00 H new ATOM 0 HB3 MET A 52 0.600 4.603 -4.804 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.575 3.602 -4.666 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.890 3.169 -6.219 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.861 -0.393 -6.279 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.723 1.152 -6.467 1.00 0.00 H new ATOM 0 HE3 MET A 52 -1.087 0.959 -7.139 1.00 0.00 H new ATOM 784 N ASN A 53 2.224 4.825 -6.842 1.00 0.00 N ATOM 785 CA ASN A 53 2.379 5.559 -8.092 1.00 0.00 C ATOM 786 C ASN A 53 3.143 4.729 -9.119 1.00 0.00 C ATOM 787 O ASN A 53 2.832 4.753 -10.309 1.00 0.00 O ATOM 788 CB ASN A 53 3.108 6.882 -7.844 1.00 0.00 C ATOM 789 CG ASN A 53 2.153 8.025 -7.565 1.00 0.00 C ATOM 790 OD1 ASN A 53 2.063 8.427 -6.303 1.00 0.00 O flip ATOM 791 ND2 ASN A 53 1.502 8.542 -8.474 1.00 0.00 N flip ATOM 0 H ASN A 53 2.412 5.375 -6.004 1.00 0.00 H new ATOM 0 HA ASN A 53 1.385 5.768 -8.487 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.788 6.766 -7.000 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.718 7.126 -8.714 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.602 8.202 -9.430 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.863 9.311 -8.270 1.00 0.00 H new ATOM 798 N LYS A 54 4.146 3.994 -8.649 1.00 0.00 N ATOM 799 CA LYS A 54 4.955 3.154 -9.524 1.00 0.00 C ATOM 800 C LYS A 54 4.096 2.094 -10.206 1.00 0.00 C ATOM 801 O LYS A 54 4.239 1.839 -11.403 1.00 0.00 O ATOM 802 CB LYS A 54 6.076 2.484 -8.728 1.00 0.00 C ATOM 803 CG LYS A 54 7.057 3.466 -8.112 1.00 0.00 C ATOM 804 CD LYS A 54 7.911 4.140 -9.173 1.00 0.00 C ATOM 805 CE LYS A 54 8.416 5.496 -8.703 1.00 0.00 C ATOM 806 NZ LYS A 54 9.188 6.199 -9.765 1.00 0.00 N ATOM 0 H LYS A 54 4.418 3.963 -7.666 1.00 0.00 H new ATOM 0 HA LYS A 54 5.395 3.790 -10.293 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.636 1.879 -7.936 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.619 1.804 -9.384 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.511 4.222 -7.549 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.700 2.944 -7.404 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.758 3.500 -9.420 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.329 4.264 -10.086 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.570 6.113 -8.400 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.046 5.364 -7.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.515 7.119 -9.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.009 5.622 -10.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.580 6.348 -10.595 1.00 0.00 H new ATOM 820 N LEU A 55 3.204 1.478 -9.438 1.00 0.00 N ATOM 821 CA LEU A 55 2.321 0.446 -9.969 1.00 0.00 C ATOM 822 C LEU A 55 1.198 1.062 -10.797 1.00 0.00 C ATOM 823 O LEU A 55 0.935 0.633 -11.919 1.00 0.00 O ATOM 824 CB LEU A 55 1.731 -0.385 -8.827 1.00 0.00 C ATOM 825 CG LEU A 55 2.723 -0.877 -7.773 1.00 0.00 C ATOM 826 CD1 LEU A 55 1.996 -1.606 -6.654 1.00 0.00 C ATOM 827 CD2 LEU A 55 3.772 -1.779 -8.407 1.00 0.00 C ATOM 0 H LEU A 55 3.073 1.675 -8.446 1.00 0.00 H new ATOM 0 HA LEU A 55 2.910 -0.203 -10.617 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.967 0.211 -8.328 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.229 -1.252 -9.257 1.00 0.00 H new ATOM 0 HG LEU A 55 3.228 -0.011 -7.346 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.719 -1.949 -5.913 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.285 -0.929 -6.181 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.463 -2.463 -7.065 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.469 -2.120 -7.642 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.284 -2.641 -8.862 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.315 -1.224 -9.172 1.00 0.00 H new ATOM 839 N GLN A 56 0.541 2.073 -10.235 1.00 0.00 N ATOM 840 CA GLN A 56 -0.552 2.749 -10.923 1.00 0.00 C ATOM 841 C GLN A 56 -0.178 4.190 -11.252 1.00 0.00 C ATOM 842 O GLN A 56 0.236 4.963 -10.389 1.00 0.00 O ATOM 843 CB GLN A 56 -1.818 2.721 -10.064 1.00 0.00 C ATOM 844 CG GLN A 56 -2.908 3.658 -10.558 1.00 0.00 C ATOM 845 CD GLN A 56 -4.302 3.128 -10.282 1.00 0.00 C ATOM 846 OE1 GLN A 56 -5.094 2.922 -11.201 1.00 0.00 O ATOM 847 NE2 GLN A 56 -4.608 2.903 -9.008 1.00 0.00 N ATOM 0 H GLN A 56 0.747 2.441 -9.306 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.744 2.220 -11.857 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.208 1.704 -10.040 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.558 2.987 -9.039 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.791 4.630 -10.079 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.789 3.815 -11.630 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.920 3.088 -8.278 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.531 2.545 -8.761 1.00 0.00 H new ATOM 856 N PRO A 57 -0.328 4.562 -12.532 1.00 0.00 N ATOM 857 CA PRO A 57 -0.012 5.913 -13.007 1.00 0.00 C ATOM 858 C PRO A 57 -0.997 6.955 -12.486 1.00 0.00 C ATOM 859 O PRO A 57 -0.875 8.142 -12.786 1.00 0.00 O ATOM 860 CB PRO A 57 -0.120 5.789 -14.529 1.00 0.00 C ATOM 861 CG PRO A 57 -1.054 4.651 -14.751 1.00 0.00 C ATOM 862 CD PRO A 57 -0.818 3.693 -13.616 1.00 0.00 C ATOM 0 HA PRO A 57 0.966 6.248 -12.662 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.502 6.707 -14.975 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.853 5.596 -14.981 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.089 4.993 -14.764 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.864 4.172 -15.712 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.733 3.173 -13.332 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.087 2.929 -13.880 1.00 0.00 H new ATOM 870 N GLY A 58 -1.971 6.503 -11.704 1.00 0.00 N ATOM 871 CA GLY A 58 -2.962 7.410 -11.153 1.00 0.00 C ATOM 872 C GLY A 58 -3.553 6.903 -9.852 1.00 0.00 C ATOM 873 O GLY A 58 -4.758 6.669 -9.759 1.00 0.00 O ATOM 0 H GLY A 58 -2.092 5.525 -11.441 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.504 8.385 -10.985 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.762 7.554 -11.880 1.00 0.00 H new ATOM 877 N SER A 59 -2.702 6.731 -8.846 1.00 0.00 N ATOM 878 CA SER A 59 -3.146 6.243 -7.545 1.00 0.00 C ATOM 879 C SER A 59 -3.211 7.383 -6.532 1.00 0.00 C ATOM 880 O SER A 59 -4.256 7.638 -5.934 1.00 0.00 O ATOM 881 CB SER A 59 -2.205 5.148 -7.039 1.00 0.00 C ATOM 882 OG SER A 59 -0.861 5.430 -7.388 1.00 0.00 O ATOM 0 H SER A 59 -1.702 6.922 -8.906 1.00 0.00 H new ATOM 0 HA SER A 59 -4.146 5.826 -7.662 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.292 5.061 -5.956 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.500 4.187 -7.461 1.00 0.00 H new ATOM 0 HG SER A 59 -0.719 5.224 -8.336 1.00 0.00 H new ATOM 888 N VAL A 60 -2.086 8.064 -6.343 1.00 0.00 N ATOM 889 CA VAL A 60 -2.014 9.176 -5.403 1.00 0.00 C ATOM 890 C VAL A 60 -1.749 10.491 -6.128 1.00 0.00 C ATOM 891 O VAL A 60 -0.866 10.591 -6.980 1.00 0.00 O ATOM 892 CB VAL A 60 -0.912 8.951 -4.350 1.00 0.00 C ATOM 893 CG1 VAL A 60 -0.888 10.096 -3.349 1.00 0.00 C ATOM 894 CG2 VAL A 60 -1.115 7.618 -3.644 1.00 0.00 C ATOM 0 H VAL A 60 -1.211 7.865 -6.829 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.980 9.229 -4.901 1.00 0.00 H new ATOM 0 HB VAL A 60 0.052 8.924 -4.858 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.103 9.920 -2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.691 11.032 -3.872 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.852 10.158 -2.844 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.328 7.475 -2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.085 7.613 -3.148 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.077 6.810 -4.375 1.00 0.00 H new ATOM 904 N PRO A 61 -2.528 11.526 -5.780 1.00 0.00 N ATOM 905 CA PRO A 61 -2.396 12.855 -6.385 1.00 0.00 C ATOM 906 C PRO A 61 -1.109 13.557 -5.964 1.00 0.00 C ATOM 907 O PRO A 61 -0.347 14.035 -6.805 1.00 0.00 O ATOM 908 CB PRO A 61 -3.616 13.610 -5.852 1.00 0.00 C ATOM 909 CG PRO A 61 -3.957 12.925 -4.574 1.00 0.00 C ATOM 910 CD PRO A 61 -3.599 11.477 -4.771 1.00 0.00 C ATOM 0 HA PRO A 61 -2.351 12.806 -7.473 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.389 14.663 -5.688 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.446 13.569 -6.557 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.401 13.354 -3.741 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.016 13.037 -4.342 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.257 11.018 -3.844 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -4.453 10.895 -5.119 1.00 0.00 H new ATOM 918 N LYS A 62 -0.873 13.615 -4.658 1.00 0.00 N ATOM 919 CA LYS A 62 0.323 14.258 -4.125 1.00 0.00 C ATOM 920 C LYS A 62 0.743 13.616 -2.807 1.00 0.00 C ATOM 921 O LYS A 62 0.013 12.801 -2.242 1.00 0.00 O ATOM 922 CB LYS A 62 0.074 15.754 -3.920 1.00 0.00 C ATOM 923 CG LYS A 62 1.338 16.594 -3.978 1.00 0.00 C ATOM 924 CD LYS A 62 1.018 18.074 -4.114 1.00 0.00 C ATOM 925 CE LYS A 62 0.426 18.637 -2.832 1.00 0.00 C ATOM 926 NZ LYS A 62 1.465 18.845 -1.786 1.00 0.00 N ATOM 0 H LYS A 62 -1.494 13.225 -3.949 1.00 0.00 H new ATOM 0 HA LYS A 62 1.129 14.126 -4.847 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.621 16.106 -4.682 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.408 15.905 -2.954 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.927 16.430 -3.076 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.950 16.274 -4.821 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.926 18.622 -4.368 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.317 18.222 -4.935 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.069 19.584 -3.046 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.338 17.957 -2.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.037 19.308 -0.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.861 17.926 -1.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.224 19.447 -2.165 1.00 0.00 H new ATOM 940 N ILE A 63 1.923 13.990 -2.322 1.00 0.00 N ATOM 941 CA ILE A 63 2.437 13.452 -1.069 1.00 0.00 C ATOM 942 C ILE A 63 2.886 14.571 -0.134 1.00 0.00 C ATOM 943 O ILE A 63 3.624 15.470 -0.535 1.00 0.00 O ATOM 944 CB ILE A 63 3.619 12.495 -1.311 1.00 0.00 C ATOM 945 CG1 ILE A 63 3.179 11.313 -2.177 1.00 0.00 C ATOM 946 CG2 ILE A 63 4.185 12.006 0.015 1.00 0.00 C ATOM 947 CD1 ILE A 63 4.311 10.669 -2.943 1.00 0.00 C ATOM 0 H ILE A 63 2.540 14.663 -2.778 1.00 0.00 H new ATOM 0 HA ILE A 63 1.621 12.898 -0.604 1.00 0.00 H new ATOM 0 HB ILE A 63 4.403 13.037 -1.841 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.709 10.563 -1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.421 11.653 -2.883 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.020 11.331 -0.173 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.532 12.858 0.599 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.409 11.478 0.569 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.924 9.839 -3.534 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.767 11.405 -3.605 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.059 10.298 -2.243 1.00 0.00 H new ATOM 959 N ASN A 64 2.438 14.505 1.116 1.00 0.00 N ATOM 960 CA ASN A 64 2.795 15.512 2.109 1.00 0.00 C ATOM 961 C ASN A 64 4.211 15.286 2.628 1.00 0.00 C ATOM 962 O ASN A 64 4.500 14.260 3.245 1.00 0.00 O ATOM 963 CB ASN A 64 1.801 15.484 3.272 1.00 0.00 C ATOM 964 CG ASN A 64 0.577 16.339 3.008 1.00 0.00 C ATOM 965 OD1 ASN A 64 0.686 17.471 2.540 1.00 0.00 O ATOM 966 ND2 ASN A 64 -0.598 15.798 3.310 1.00 0.00 N ATOM 0 H ASN A 64 1.828 13.766 1.465 1.00 0.00 H new ATOM 0 HA ASN A 64 2.756 16.490 1.630 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.490 14.456 3.455 1.00 0.00 H new ATOM 0 HB3 ASN A 64 2.296 15.833 4.178 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.457 16.326 3.155 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.641 14.855 3.696 1.00 0.00 H new ATOM 973 N ARG A 65 5.089 16.251 2.376 1.00 0.00 N ATOM 974 CA ARG A 65 6.475 16.157 2.818 1.00 0.00 C ATOM 975 C ARG A 65 6.725 17.060 4.022 1.00 0.00 C ATOM 976 O ARG A 65 7.744 17.747 4.095 1.00 0.00 O ATOM 977 CB ARG A 65 7.423 16.535 1.677 1.00 0.00 C ATOM 978 CG ARG A 65 7.792 15.365 0.780 1.00 0.00 C ATOM 979 CD ARG A 65 8.897 14.520 1.393 1.00 0.00 C ATOM 980 NE ARG A 65 9.519 13.635 0.410 1.00 0.00 N ATOM 981 CZ ARG A 65 10.308 12.617 0.734 1.00 0.00 C ATOM 982 NH1 ARG A 65 10.570 12.356 2.007 1.00 0.00 N ATOM 983 NH2 ARG A 65 10.837 11.859 -0.218 1.00 0.00 N ATOM 0 H ARG A 65 4.865 17.107 1.868 1.00 0.00 H new ATOM 0 HA ARG A 65 6.666 15.126 3.114 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.958 17.313 1.072 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.334 16.960 2.098 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.912 14.746 0.608 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.114 15.738 -0.192 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.656 15.173 1.824 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.488 13.925 2.209 1.00 0.00 H new ATOM 0 HE ARG A 65 9.337 13.809 -0.579 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.165 12.938 2.741 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.176 11.573 2.253 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.638 12.058 -1.198 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.443 11.077 0.030 1.00 0.00 H new ATOM 997 N SER A 66 5.787 17.055 4.963 1.00 0.00 N ATOM 998 CA SER A 66 5.902 17.878 6.163 1.00 0.00 C ATOM 999 C SER A 66 6.066 17.007 7.405 1.00 0.00 C ATOM 1000 O SER A 66 5.916 15.787 7.345 1.00 0.00 O ATOM 1001 CB SER A 66 4.672 18.774 6.312 1.00 0.00 C ATOM 1002 OG SER A 66 4.734 19.877 5.425 1.00 0.00 O ATOM 0 H SER A 66 4.939 16.491 4.919 1.00 0.00 H new ATOM 0 HA SER A 66 6.788 18.505 6.061 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.770 18.195 6.114 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.602 19.133 7.339 1.00 0.00 H new ATOM 0 HG SER A 66 3.935 20.433 5.539 1.00 0.00 H new ATOM 1008 N MET A 67 6.374 17.644 8.529 1.00 0.00 N ATOM 1009 CA MET A 67 6.557 16.929 9.786 1.00 0.00 C ATOM 1010 C MET A 67 5.348 17.113 10.698 1.00 0.00 C ATOM 1011 O MET A 67 5.493 17.323 11.902 1.00 0.00 O ATOM 1012 CB MET A 67 7.823 17.415 10.495 1.00 0.00 C ATOM 1013 CG MET A 67 8.437 16.377 11.422 1.00 0.00 C ATOM 1014 SD MET A 67 9.801 17.038 12.398 1.00 0.00 S ATOM 1015 CE MET A 67 11.161 16.857 11.246 1.00 0.00 C ATOM 0 H MET A 67 6.502 18.654 8.595 1.00 0.00 H new ATOM 0 HA MET A 67 6.661 15.868 9.559 1.00 0.00 H new ATOM 0 HB2 MET A 67 8.561 17.703 9.746 1.00 0.00 H new ATOM 0 HB3 MET A 67 7.586 18.310 11.071 1.00 0.00 H new ATOM 0 HG2 MET A 67 7.668 15.994 12.093 1.00 0.00 H new ATOM 0 HG3 MET A 67 8.794 15.533 10.831 1.00 0.00 H new ATOM 0 HE1 MET A 67 12.079 17.224 11.706 1.00 0.00 H new ATOM 0 HE2 MET A 67 11.281 15.805 10.987 1.00 0.00 H new ATOM 0 HE3 MET A 67 10.952 17.432 10.344 1.00 0.00 H new ATOM 1025 N GLN A 68 4.156 17.035 10.117 1.00 0.00 N ATOM 1026 CA GLN A 68 2.922 17.195 10.878 1.00 0.00 C ATOM 1027 C GLN A 68 2.175 15.870 10.988 1.00 0.00 C ATOM 1028 O GLN A 68 2.454 14.926 10.251 1.00 0.00 O ATOM 1029 CB GLN A 68 2.026 18.246 10.220 1.00 0.00 C ATOM 1030 CG GLN A 68 2.692 19.603 10.066 1.00 0.00 C ATOM 1031 CD GLN A 68 3.127 20.195 11.393 1.00 0.00 C ATOM 1032 OE1 GLN A 68 2.552 19.892 12.439 1.00 0.00 O ATOM 1033 NE2 GLN A 68 4.146 21.045 11.357 1.00 0.00 N ATOM 0 H GLN A 68 4.018 16.862 9.121 1.00 0.00 H new ATOM 0 HA GLN A 68 3.184 17.528 11.882 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.721 17.887 9.237 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.119 18.361 10.813 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.560 19.505 9.414 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.001 20.289 9.576 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.593 21.268 10.468 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.482 21.475 12.219 1.00 0.00 H new ATOM 1042 N ASN A 69 1.225 15.808 11.915 1.00 0.00 N ATOM 1043 CA ASN A 69 0.439 14.598 12.124 1.00 0.00 C ATOM 1044 C ASN A 69 -0.649 14.467 11.061 1.00 0.00 C ATOM 1045 O ASN A 69 -0.673 13.499 10.301 1.00 0.00 O ATOM 1046 CB ASN A 69 -0.193 14.608 13.517 1.00 0.00 C ATOM 1047 CG ASN A 69 0.843 14.542 14.622 1.00 0.00 C ATOM 1048 OD1 ASN A 69 2.011 14.238 14.377 1.00 0.00 O ATOM 1049 ND2 ASN A 69 0.420 14.826 15.849 1.00 0.00 N ATOM 0 H ASN A 69 0.981 16.582 12.533 1.00 0.00 H new ATOM 0 HA ASN A 69 1.108 13.742 12.043 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.790 15.512 13.636 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -0.874 13.762 13.610 1.00 0.00 H new ATOM 0 HD21 ASN A 69 1.072 14.797 16.633 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.557 15.073 16.007 1.00 0.00 H new ATOM 1056 N TRP A 70 -1.545 15.445 11.016 1.00 0.00 N ATOM 1057 CA TRP A 70 -2.634 15.439 10.046 1.00 0.00 C ATOM 1058 C TRP A 70 -2.109 15.181 8.638 1.00 0.00 C ATOM 1059 O TRP A 70 -2.662 14.366 7.899 1.00 0.00 O ATOM 1060 CB TRP A 70 -3.388 16.769 10.087 1.00 0.00 C ATOM 1061 CG TRP A 70 -2.485 17.960 10.204 1.00 0.00 C ATOM 1062 CD1 TRP A 70 -1.860 18.619 9.184 1.00 0.00 C ATOM 1063 CD2 TRP A 70 -2.105 18.631 11.410 1.00 0.00 C ATOM 1064 NE1 TRP A 70 -1.115 19.660 9.683 1.00 0.00 N ATOM 1065 CE2 TRP A 70 -1.248 19.689 11.045 1.00 0.00 C ATOM 1066 CE3 TRP A 70 -2.405 18.444 12.762 1.00 0.00 C ATOM 1067 CZ2 TRP A 70 -0.690 20.552 11.985 1.00 0.00 C ATOM 1068 CZ3 TRP A 70 -1.850 19.301 13.694 1.00 0.00 C ATOM 1069 CH2 TRP A 70 -1.002 20.345 13.302 1.00 0.00 C ATOM 0 H TRP A 70 -1.540 16.252 11.639 1.00 0.00 H new ATOM 0 HA TRP A 70 -3.318 14.633 10.311 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.990 16.865 9.183 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -4.079 16.761 10.930 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -1.940 18.360 8.139 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -0.554 20.306 9.128 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.059 17.643 13.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -0.034 21.356 11.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -2.074 19.163 14.742 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -0.586 21.000 14.054 1.00 0.00 H new ATOM 1080 N HIS A 71 -1.038 15.880 8.274 1.00 0.00 N ATOM 1081 CA HIS A 71 -0.439 15.725 6.953 1.00 0.00 C ATOM 1082 C HIS A 71 0.094 14.307 6.762 1.00 0.00 C ATOM 1083 O HIS A 71 -0.165 13.671 5.741 1.00 0.00 O ATOM 1084 CB HIS A 71 0.691 16.737 6.761 1.00 0.00 C ATOM 1085 CG HIS A 71 0.211 18.145 6.593 1.00 0.00 C ATOM 1086 ND1 HIS A 71 0.791 19.220 7.234 1.00 0.00 N ATOM 1087 CD2 HIS A 71 -0.800 18.653 5.850 1.00 0.00 C ATOM 1088 CE1 HIS A 71 0.157 20.327 6.893 1.00 0.00 C ATOM 1089 NE2 HIS A 71 -0.812 20.012 6.053 1.00 0.00 N ATOM 0 H HIS A 71 -0.568 16.558 8.874 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.212 15.908 6.206 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.360 16.690 7.620 1.00 0.00 H new ATOM 0 HB3 HIS A 71 1.276 16.454 5.886 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.472 18.094 5.216 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.391 21.322 7.242 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -1.463 20.670 5.625 1.00 0.00 H new ATOM 1098 N GLN A 72 0.840 13.822 7.750 1.00 0.00 N ATOM 1099 CA GLN A 72 1.409 12.482 7.688 1.00 0.00 C ATOM 1100 C GLN A 72 0.317 11.434 7.496 1.00 0.00 C ATOM 1101 O GLN A 72 0.480 10.485 6.727 1.00 0.00 O ATOM 1102 CB GLN A 72 2.201 12.182 8.962 1.00 0.00 C ATOM 1103 CG GLN A 72 3.628 12.705 8.928 1.00 0.00 C ATOM 1104 CD GLN A 72 4.281 12.708 10.296 1.00 0.00 C ATOM 1105 OE1 GLN A 72 4.285 11.696 10.998 1.00 0.00 O ATOM 1106 NE2 GLN A 72 4.840 13.849 10.684 1.00 0.00 N ATOM 0 H GLN A 72 1.064 14.337 8.602 1.00 0.00 H new ATOM 0 HA GLN A 72 2.082 12.440 6.831 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.682 12.621 9.814 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.222 11.104 9.122 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.220 12.092 8.249 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.630 13.718 8.526 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.814 14.664 10.071 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.295 13.910 11.595 1.00 0.00 H new ATOM 1115 N LEU A 73 -0.795 11.611 8.200 1.00 0.00 N ATOM 1116 CA LEU A 73 -1.915 10.681 8.107 1.00 0.00 C ATOM 1117 C LEU A 73 -2.432 10.591 6.674 1.00 0.00 C ATOM 1118 O LEU A 73 -2.533 9.503 6.109 1.00 0.00 O ATOM 1119 CB LEU A 73 -3.045 11.117 9.042 1.00 0.00 C ATOM 1120 CG LEU A 73 -2.973 10.585 10.474 1.00 0.00 C ATOM 1121 CD1 LEU A 73 -3.136 9.072 10.490 1.00 0.00 C ATOM 1122 CD2 LEU A 73 -1.660 10.989 11.128 1.00 0.00 C ATOM 0 H LEU A 73 -0.945 12.390 8.841 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.562 9.695 8.409 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.058 12.206 9.080 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.993 10.802 8.606 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.790 11.024 11.046 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.082 8.711 11.517 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.102 8.806 10.062 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.340 8.614 9.902 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.626 10.602 12.146 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.827 10.579 10.556 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.584 12.076 11.151 1.00 0.00 H new ATOM 1134 N GLU A 74 -2.755 11.743 6.094 1.00 0.00 N ATOM 1135 CA GLU A 74 -3.259 11.794 4.728 1.00 0.00 C ATOM 1136 C GLU A 74 -2.465 10.859 3.819 1.00 0.00 C ATOM 1137 O GLU A 74 -3.038 10.064 3.075 1.00 0.00 O ATOM 1138 CB GLU A 74 -3.194 13.224 4.188 1.00 0.00 C ATOM 1139 CG GLU A 74 -3.348 13.314 2.679 1.00 0.00 C ATOM 1140 CD GLU A 74 -4.000 14.609 2.236 1.00 0.00 C ATOM 1141 OE1 GLU A 74 -4.945 15.061 2.914 1.00 0.00 O ATOM 1142 OE2 GLU A 74 -3.563 15.171 1.208 1.00 0.00 O ATOM 0 H GLU A 74 -2.676 12.652 6.549 1.00 0.00 H new ATOM 0 HA GLU A 74 -4.298 11.465 4.740 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.977 13.817 4.660 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.241 13.668 4.474 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.367 13.227 2.212 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.945 12.472 2.327 1.00 0.00 H new ATOM 1149 N ASN A 75 -1.141 10.963 3.886 1.00 0.00 N ATOM 1150 CA ASN A 75 -0.267 10.129 3.070 1.00 0.00 C ATOM 1151 C ASN A 75 -0.776 8.692 3.021 1.00 0.00 C ATOM 1152 O ASN A 75 -0.775 8.056 1.966 1.00 0.00 O ATOM 1153 CB ASN A 75 1.160 10.158 3.620 1.00 0.00 C ATOM 1154 CG ASN A 75 1.859 11.475 3.342 1.00 0.00 C ATOM 1155 OD1 ASN A 75 1.669 12.082 2.288 1.00 0.00 O ATOM 1156 ND2 ASN A 75 2.674 11.923 4.291 1.00 0.00 N ATOM 0 H ASN A 75 -0.651 11.616 4.497 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.267 10.530 2.056 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.136 9.982 4.695 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.734 9.344 3.177 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.172 12.803 4.161 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.801 11.386 5.149 1.00 0.00 H new ATOM 1163 N LEU A 76 -1.213 8.185 4.169 1.00 0.00 N ATOM 1164 CA LEU A 76 -1.726 6.823 4.259 1.00 0.00 C ATOM 1165 C LEU A 76 -3.170 6.752 3.776 1.00 0.00 C ATOM 1166 O LEU A 76 -3.537 5.861 3.010 1.00 0.00 O ATOM 1167 CB LEU A 76 -1.631 6.316 5.699 1.00 0.00 C ATOM 1168 CG LEU A 76 -0.221 6.181 6.273 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.277 5.868 7.761 1.00 0.00 C ATOM 1170 CD2 LEU A 76 0.556 5.105 5.530 1.00 0.00 C ATOM 0 H LEU A 76 -1.222 8.698 5.051 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.117 6.188 3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.199 6.992 6.339 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.118 5.342 5.753 1.00 0.00 H new ATOM 0 HG LEU A 76 0.296 7.132 6.142 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.736 5.776 8.152 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.795 6.673 8.283 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.812 4.931 7.916 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.558 5.023 5.952 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.041 4.150 5.630 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.627 5.371 4.475 1.00 0.00 H new ATOM 1182 N SER A 77 -3.987 7.699 4.228 1.00 0.00 N ATOM 1183 CA SER A 77 -5.393 7.743 3.844 1.00 0.00 C ATOM 1184 C SER A 77 -5.543 7.678 2.326 1.00 0.00 C ATOM 1185 O SER A 77 -6.396 6.959 1.807 1.00 0.00 O ATOM 1186 CB SER A 77 -6.050 9.017 4.378 1.00 0.00 C ATOM 1187 OG SER A 77 -7.450 8.849 4.518 1.00 0.00 O ATOM 0 H SER A 77 -3.699 8.446 4.860 1.00 0.00 H new ATOM 0 HA SER A 77 -5.891 6.876 4.279 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.614 9.278 5.342 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.846 9.846 3.701 1.00 0.00 H new ATOM 0 HG SER A 77 -7.846 9.677 4.862 1.00 0.00 H new ATOM 1193 N ASN A 78 -4.707 8.434 1.622 1.00 0.00 N ATOM 1194 CA ASN A 78 -4.747 8.463 0.165 1.00 0.00 C ATOM 1195 C ASN A 78 -4.168 7.179 -0.421 1.00 0.00 C ATOM 1196 O ASN A 78 -4.659 6.667 -1.427 1.00 0.00 O ATOM 1197 CB ASN A 78 -3.972 9.672 -0.363 1.00 0.00 C ATOM 1198 CG ASN A 78 -2.474 9.439 -0.373 1.00 0.00 C ATOM 1199 OD1 ASN A 78 -1.988 8.472 -0.959 1.00 0.00 O ATOM 1200 ND2 ASN A 78 -1.732 10.327 0.280 1.00 0.00 N ATOM 0 H ASN A 78 -3.994 9.034 2.037 1.00 0.00 H new ATOM 0 HA ASN A 78 -5.789 8.544 -0.143 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -4.308 9.902 -1.374 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -4.197 10.542 0.254 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.718 10.221 0.309 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -2.177 11.114 0.752 1.00 0.00 H new ATOM 1207 N PHE A 79 -3.122 6.664 0.216 1.00 0.00 N ATOM 1208 CA PHE A 79 -2.476 5.439 -0.242 1.00 0.00 C ATOM 1209 C PHE A 79 -3.409 4.242 -0.091 1.00 0.00 C ATOM 1210 O PHE A 79 -3.396 3.324 -0.912 1.00 0.00 O ATOM 1211 CB PHE A 79 -1.185 5.195 0.543 1.00 0.00 C ATOM 1212 CG PHE A 79 -0.643 3.803 0.387 1.00 0.00 C ATOM 1213 CD1 PHE A 79 -0.386 3.282 -0.870 1.00 0.00 C ATOM 1214 CD2 PHE A 79 -0.393 3.014 1.499 1.00 0.00 C ATOM 1215 CE1 PHE A 79 0.112 2.001 -1.016 1.00 0.00 C ATOM 1216 CE2 PHE A 79 0.106 1.733 1.360 1.00 0.00 C ATOM 1217 CZ PHE A 79 0.359 1.226 0.101 1.00 0.00 C ATOM 0 H PHE A 79 -2.704 7.075 1.050 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.235 5.558 -1.298 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.430 5.909 0.216 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.370 5.388 1.600 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -0.577 3.884 -1.746 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.591 3.405 2.486 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.308 1.606 -2.002 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.298 1.129 2.235 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.749 0.225 -0.011 1.00 0.00 H new ATOM 1227 N ILE A 80 -4.219 4.260 0.963 1.00 0.00 N ATOM 1228 CA ILE A 80 -5.160 3.177 1.220 1.00 0.00 C ATOM 1229 C ILE A 80 -6.240 3.120 0.146 1.00 0.00 C ATOM 1230 O ILE A 80 -6.470 2.075 -0.464 1.00 0.00 O ATOM 1231 CB ILE A 80 -5.830 3.329 2.599 1.00 0.00 C ATOM 1232 CG1 ILE A 80 -4.782 3.264 3.710 1.00 0.00 C ATOM 1233 CG2 ILE A 80 -6.888 2.254 2.795 1.00 0.00 C ATOM 1234 CD1 ILE A 80 -5.197 3.979 4.977 1.00 0.00 C ATOM 0 H ILE A 80 -4.242 5.012 1.652 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.586 2.250 1.204 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.318 4.303 2.644 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.576 2.219 3.943 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.851 3.699 3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.352 2.375 3.774 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.648 2.346 2.019 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.423 1.270 2.733 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.405 3.891 5.721 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.375 5.032 4.759 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.111 3.530 5.366 1.00 0.00 H new ATOM 1246 N LYS A 81 -6.900 4.250 -0.083 1.00 0.00 N ATOM 1247 CA LYS A 81 -7.954 4.331 -1.087 1.00 0.00 C ATOM 1248 C LYS A 81 -7.455 3.841 -2.442 1.00 0.00 C ATOM 1249 O LYS A 81 -8.207 3.248 -3.214 1.00 0.00 O ATOM 1250 CB LYS A 81 -8.462 5.770 -1.207 1.00 0.00 C ATOM 1251 CG LYS A 81 -9.148 6.280 0.047 1.00 0.00 C ATOM 1252 CD LYS A 81 -10.593 5.815 0.122 1.00 0.00 C ATOM 1253 CE LYS A 81 -11.479 6.593 -0.840 1.00 0.00 C ATOM 1254 NZ LYS A 81 -11.767 7.966 -0.342 1.00 0.00 N ATOM 0 H LYS A 81 -6.723 5.123 0.414 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.775 3.688 -0.769 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.623 6.424 -1.443 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.159 5.832 -2.043 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.607 5.931 0.926 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.114 7.369 0.064 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.647 4.752 -0.111 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.964 5.937 1.140 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -10.992 6.654 -1.813 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.416 6.056 -0.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -12.491 8.409 -0.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.114 7.914 0.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.897 8.536 -0.372 1.00 0.00 H new ATOM 1268 N ALA A 82 -6.181 4.092 -2.724 1.00 0.00 N ATOM 1269 CA ALA A 82 -5.580 3.674 -3.984 1.00 0.00 C ATOM 1270 C ALA A 82 -5.710 2.167 -4.181 1.00 0.00 C ATOM 1271 O ALA A 82 -6.188 1.705 -5.215 1.00 0.00 O ATOM 1272 CB ALA A 82 -4.118 4.091 -4.037 1.00 0.00 C ATOM 0 H ALA A 82 -5.545 4.583 -2.096 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.116 4.168 -4.794 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.683 3.772 -4.984 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.046 5.175 -3.951 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.577 3.625 -3.214 1.00 0.00 H new ATOM 1278 N MET A 83 -5.278 1.405 -3.180 1.00 0.00 N ATOM 1279 CA MET A 83 -5.347 -0.050 -3.243 1.00 0.00 C ATOM 1280 C MET A 83 -6.731 -0.510 -3.690 1.00 0.00 C ATOM 1281 O MET A 83 -6.862 -1.295 -4.629 1.00 0.00 O ATOM 1282 CB MET A 83 -5.010 -0.657 -1.880 1.00 0.00 C ATOM 1283 CG MET A 83 -3.518 -0.824 -1.641 1.00 0.00 C ATOM 1284 SD MET A 83 -2.789 0.590 -0.791 1.00 0.00 S ATOM 1285 CE MET A 83 -2.892 0.050 0.913 1.00 0.00 C ATOM 0 H MET A 83 -4.877 1.771 -2.317 1.00 0.00 H new ATOM 0 HA MET A 83 -4.616 -0.392 -3.976 1.00 0.00 H new ATOM 0 HB2 MET A 83 -5.426 -0.024 -1.097 1.00 0.00 H new ATOM 0 HB3 MET A 83 -5.494 -1.630 -1.795 1.00 0.00 H new ATOM 0 HG2 MET A 83 -3.347 -1.725 -1.052 1.00 0.00 H new ATOM 0 HG3 MET A 83 -3.015 -0.968 -2.597 1.00 0.00 H new ATOM 0 HE1 MET A 83 -2.894 0.919 1.571 1.00 0.00 H new ATOM 0 HE2 MET A 83 -3.810 -0.518 1.060 1.00 0.00 H new ATOM 0 HE3 MET A 83 -2.034 -0.580 1.148 1.00 0.00 H new ATOM 1295 N VAL A 84 -7.762 -0.016 -3.011 1.00 0.00 N ATOM 1296 CA VAL A 84 -9.136 -0.376 -3.338 1.00 0.00 C ATOM 1297 C VAL A 84 -9.398 -0.239 -4.834 1.00 0.00 C ATOM 1298 O VAL A 84 -10.043 -1.092 -5.443 1.00 0.00 O ATOM 1299 CB VAL A 84 -10.144 0.498 -2.568 1.00 0.00 C ATOM 1300 CG1 VAL A 84 -11.571 0.113 -2.931 1.00 0.00 C ATOM 1301 CG2 VAL A 84 -9.916 0.379 -1.070 1.00 0.00 C ATOM 0 H VAL A 84 -7.671 0.635 -2.231 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.270 -1.417 -3.042 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.990 1.538 -2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.269 0.741 -2.377 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.725 0.255 -4.001 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.742 -0.933 -2.675 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.637 1.003 -0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.042 -0.660 -0.764 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.905 0.708 -0.829 1.00 0.00 H new ATOM 1311 N SER A 85 -8.894 0.842 -5.421 1.00 0.00 N ATOM 1312 CA SER A 85 -9.076 1.094 -6.846 1.00 0.00 C ATOM 1313 C SER A 85 -8.252 0.118 -7.679 1.00 0.00 C ATOM 1314 O SER A 85 -8.727 -0.411 -8.685 1.00 0.00 O ATOM 1315 CB SER A 85 -8.682 2.533 -7.185 1.00 0.00 C ATOM 1316 OG SER A 85 -9.183 2.912 -8.455 1.00 0.00 O ATOM 0 H SER A 85 -8.356 1.557 -4.932 1.00 0.00 H new ATOM 0 HA SER A 85 -10.129 0.948 -7.085 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.068 3.209 -6.422 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.596 2.628 -7.175 1.00 0.00 H new ATOM 0 HG SER A 85 -8.919 3.836 -8.648 1.00 0.00 H new ATOM 1322 N TYR A 86 -7.016 -0.115 -7.255 1.00 0.00 N ATOM 1323 CA TYR A 86 -6.123 -1.025 -7.962 1.00 0.00 C ATOM 1324 C TYR A 86 -6.790 -2.380 -8.185 1.00 0.00 C ATOM 1325 O TYR A 86 -6.638 -2.993 -9.240 1.00 0.00 O ATOM 1326 CB TYR A 86 -4.821 -1.207 -7.180 1.00 0.00 C ATOM 1327 CG TYR A 86 -3.669 -1.698 -8.029 1.00 0.00 C ATOM 1328 CD1 TYR A 86 -3.225 -0.964 -9.123 1.00 0.00 C ATOM 1329 CD2 TYR A 86 -3.024 -2.893 -7.736 1.00 0.00 C ATOM 1330 CE1 TYR A 86 -2.175 -1.408 -9.901 1.00 0.00 C ATOM 1331 CE2 TYR A 86 -1.971 -3.343 -8.508 1.00 0.00 C ATOM 1332 CZ TYR A 86 -1.549 -2.598 -9.590 1.00 0.00 C ATOM 1333 OH TYR A 86 -0.502 -3.044 -10.361 1.00 0.00 O ATOM 0 H TYR A 86 -6.609 0.314 -6.424 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.896 -0.588 -8.934 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.545 -0.257 -6.723 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -4.990 -1.914 -6.368 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.710 -0.031 -9.368 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.351 -3.480 -6.891 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -1.845 -0.827 -10.749 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.480 -4.274 -8.266 1.00 0.00 H new ATOM 0 HH TYR A 86 -0.025 -2.277 -10.740 1.00 0.00 H new ATOM 1343 N GLY A 87 -7.531 -2.839 -7.180 1.00 0.00 N ATOM 1344 CA GLY A 87 -8.211 -4.117 -7.285 1.00 0.00 C ATOM 1345 C GLY A 87 -7.884 -5.043 -6.130 1.00 0.00 C ATOM 1346 O GLY A 87 -7.819 -6.261 -6.302 1.00 0.00 O ATOM 0 H GLY A 87 -7.672 -2.349 -6.297 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.288 -3.951 -7.320 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.932 -4.598 -8.223 1.00 0.00 H new ATOM 1350 N MET A 88 -7.676 -4.467 -4.951 1.00 0.00 N ATOM 1351 CA MET A 88 -7.353 -5.250 -3.765 1.00 0.00 C ATOM 1352 C MET A 88 -8.618 -5.619 -2.996 1.00 0.00 C ATOM 1353 O MET A 88 -9.688 -5.066 -3.244 1.00 0.00 O ATOM 1354 CB MET A 88 -6.400 -4.471 -2.857 1.00 0.00 C ATOM 1355 CG MET A 88 -5.040 -4.210 -3.484 1.00 0.00 C ATOM 1356 SD MET A 88 -3.867 -5.545 -3.178 1.00 0.00 S ATOM 1357 CE MET A 88 -3.450 -5.243 -1.463 1.00 0.00 C ATOM 0 H MET A 88 -7.725 -3.461 -4.792 1.00 0.00 H new ATOM 0 HA MET A 88 -6.865 -6.169 -4.089 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.859 -3.518 -2.595 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.262 -5.025 -1.928 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.160 -4.076 -4.559 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.635 -3.278 -3.089 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.393 -4.987 -1.385 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.052 -4.418 -1.082 1.00 0.00 H new ATOM 0 HE3 MET A 88 -3.650 -6.140 -0.877 1.00 0.00 H new ATOM 1367 N ASN A 89 -8.486 -6.556 -2.063 1.00 0.00 N ATOM 1368 CA ASN A 89 -9.620 -6.999 -1.259 1.00 0.00 C ATOM 1369 C ASN A 89 -9.827 -6.081 -0.058 1.00 0.00 C ATOM 1370 O ASN A 89 -8.917 -5.377 0.380 1.00 0.00 O ATOM 1371 CB ASN A 89 -9.404 -8.438 -0.784 1.00 0.00 C ATOM 1372 CG ASN A 89 -9.853 -9.459 -1.811 1.00 0.00 C ATOM 1373 OD1 ASN A 89 -10.216 -9.108 -2.934 1.00 0.00 O ATOM 1374 ND2 ASN A 89 -9.830 -10.730 -1.429 1.00 0.00 N ATOM 0 H ASN A 89 -7.606 -7.023 -1.845 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.513 -6.959 -1.883 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.348 -8.590 -0.562 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.951 -8.597 0.145 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -10.121 -11.462 -2.077 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -9.521 -10.974 -0.488 1.00 0.00 H new ATOM 1381 N PRO A 90 -11.053 -6.088 0.486 1.00 0.00 N ATOM 1382 CA PRO A 90 -11.409 -5.261 1.644 1.00 0.00 C ATOM 1383 C PRO A 90 -10.730 -5.736 2.924 1.00 0.00 C ATOM 1384 O PRO A 90 -10.825 -5.087 3.966 1.00 0.00 O ATOM 1385 CB PRO A 90 -12.925 -5.432 1.748 1.00 0.00 C ATOM 1386 CG PRO A 90 -13.204 -6.749 1.110 1.00 0.00 C ATOM 1387 CD PRO A 90 -12.186 -6.901 0.015 1.00 0.00 C ATOM 0 HA PRO A 90 -11.091 -4.226 1.520 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -13.254 -5.418 2.787 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -13.450 -4.625 1.236 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -13.122 -7.559 1.835 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -14.217 -6.782 0.709 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -11.901 -7.944 -0.126 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -12.568 -6.542 -0.941 1.00 0.00 H new ATOM 1395 N VAL A 91 -10.044 -6.871 2.840 1.00 0.00 N ATOM 1396 CA VAL A 91 -9.348 -7.431 3.992 1.00 0.00 C ATOM 1397 C VAL A 91 -7.837 -7.279 3.849 1.00 0.00 C ATOM 1398 O VAL A 91 -7.097 -7.381 4.828 1.00 0.00 O ATOM 1399 CB VAL A 91 -9.687 -8.922 4.182 1.00 0.00 C ATOM 1400 CG1 VAL A 91 -11.162 -9.096 4.509 1.00 0.00 C ATOM 1401 CG2 VAL A 91 -9.309 -9.717 2.941 1.00 0.00 C ATOM 0 H VAL A 91 -9.955 -7.421 1.986 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.685 -6.875 4.867 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.106 -9.305 5.021 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.383 -10.155 4.640 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.396 -8.560 5.429 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.765 -8.697 3.693 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.555 -10.768 3.093 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.861 -9.335 2.082 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.239 -9.618 2.757 1.00 0.00 H new ATOM 1411 N ASP A 92 -7.387 -7.035 2.624 1.00 0.00 N ATOM 1412 CA ASP A 92 -5.964 -6.867 2.351 1.00 0.00 C ATOM 1413 C ASP A 92 -5.560 -5.400 2.456 1.00 0.00 C ATOM 1414 O ASP A 92 -4.543 -4.983 1.900 1.00 0.00 O ATOM 1415 CB ASP A 92 -5.621 -7.406 0.961 1.00 0.00 C ATOM 1416 CG ASP A 92 -5.576 -8.920 0.923 1.00 0.00 C ATOM 1417 OD1 ASP A 92 -5.165 -9.527 1.934 1.00 0.00 O ATOM 1418 OD2 ASP A 92 -5.950 -9.499 -0.118 1.00 0.00 O ATOM 0 H ASP A 92 -7.987 -6.949 1.803 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.407 -7.433 3.098 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.360 -7.049 0.244 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.655 -7.009 0.648 1.00 0.00 H new ATOM 1423 N LEU A 93 -6.365 -4.619 3.169 1.00 0.00 N ATOM 1424 CA LEU A 93 -6.092 -3.197 3.345 1.00 0.00 C ATOM 1425 C LEU A 93 -5.736 -2.886 4.796 1.00 0.00 C ATOM 1426 O LEU A 93 -5.765 -3.767 5.655 1.00 0.00 O ATOM 1427 CB LEU A 93 -7.305 -2.369 2.917 1.00 0.00 C ATOM 1428 CG LEU A 93 -7.733 -2.511 1.457 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -9.020 -1.743 1.200 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -6.628 -2.028 0.527 1.00 0.00 C ATOM 0 H LEU A 93 -7.212 -4.947 3.634 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.240 -2.935 2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.149 -2.643 3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.089 -1.318 3.111 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.917 -3.566 1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.309 -1.856 0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.811 -2.134 1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.864 -0.687 1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.951 -2.137 -0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.413 -0.979 0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.729 -2.622 0.691 1.00 0.00 H new ATOM 1442 N PHE A 94 -5.403 -1.628 5.060 1.00 0.00 N ATOM 1443 CA PHE A 94 -5.042 -1.199 6.407 1.00 0.00 C ATOM 1444 C PHE A 94 -5.424 0.260 6.635 1.00 0.00 C ATOM 1445 O PHE A 94 -5.420 1.065 5.704 1.00 0.00 O ATOM 1446 CB PHE A 94 -3.542 -1.389 6.641 1.00 0.00 C ATOM 1447 CG PHE A 94 -2.691 -0.384 5.918 1.00 0.00 C ATOM 1448 CD1 PHE A 94 -2.394 -0.547 4.575 1.00 0.00 C ATOM 1449 CD2 PHE A 94 -2.189 0.723 6.582 1.00 0.00 C ATOM 1450 CE1 PHE A 94 -1.612 0.377 3.908 1.00 0.00 C ATOM 1451 CE2 PHE A 94 -1.406 1.650 5.921 1.00 0.00 C ATOM 1452 CZ PHE A 94 -1.117 1.477 4.581 1.00 0.00 C ATOM 0 H PHE A 94 -5.375 -0.887 4.360 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.594 -1.815 7.117 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -3.338 -1.324 7.710 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -3.257 -2.391 6.322 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.778 -1.405 4.043 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.412 0.863 7.629 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.388 0.239 2.861 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -1.021 2.508 6.451 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.506 2.200 4.061 1.00 0.00 H new ATOM 1462 N GLU A 95 -5.753 0.593 7.879 1.00 0.00 N ATOM 1463 CA GLU A 95 -6.138 1.955 8.228 1.00 0.00 C ATOM 1464 C GLU A 95 -4.946 2.900 8.127 1.00 0.00 C ATOM 1465 O GLU A 95 -3.862 2.506 7.697 1.00 0.00 O ATOM 1466 CB GLU A 95 -6.719 1.998 9.643 1.00 0.00 C ATOM 1467 CG GLU A 95 -8.107 1.388 9.750 1.00 0.00 C ATOM 1468 CD GLU A 95 -9.046 1.883 8.669 1.00 0.00 C ATOM 1469 OE1 GLU A 95 -9.061 1.281 7.574 1.00 0.00 O ATOM 1470 OE2 GLU A 95 -9.767 2.873 8.916 1.00 0.00 O ATOM 0 H GLU A 95 -5.761 -0.061 8.661 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.900 2.282 7.520 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.046 1.470 10.319 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.760 3.034 9.979 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.028 0.303 9.689 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.528 1.622 10.727 1.00 0.00 H new ATOM 1477 N ALA A 96 -5.154 4.151 8.526 1.00 0.00 N ATOM 1478 CA ALA A 96 -4.096 5.153 8.482 1.00 0.00 C ATOM 1479 C ALA A 96 -3.459 5.340 9.856 1.00 0.00 C ATOM 1480 O ALA A 96 -2.312 5.770 9.964 1.00 0.00 O ATOM 1481 CB ALA A 96 -4.643 6.477 7.968 1.00 0.00 C ATOM 0 H ALA A 96 -6.046 4.494 8.883 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.325 4.801 7.797 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.842 7.216 7.941 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.044 6.340 6.964 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.435 6.825 8.631 1.00 0.00 H new ATOM 1487 N ASN A 97 -4.212 5.014 10.901 1.00 0.00 N ATOM 1488 CA ASN A 97 -3.721 5.147 12.267 1.00 0.00 C ATOM 1489 C ASN A 97 -2.904 3.924 12.674 1.00 0.00 C ATOM 1490 O ASN A 97 -1.941 4.032 13.433 1.00 0.00 O ATOM 1491 CB ASN A 97 -4.890 5.336 13.236 1.00 0.00 C ATOM 1492 CG ASN A 97 -6.000 6.184 12.643 1.00 0.00 C ATOM 1493 OD1 ASN A 97 -5.798 7.356 12.323 1.00 0.00 O ATOM 1494 ND2 ASN A 97 -7.179 5.593 12.494 1.00 0.00 N ATOM 0 H ASN A 97 -5.164 4.656 10.828 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.076 6.025 12.309 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.290 4.361 13.513 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.528 5.804 14.151 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.964 6.112 12.100 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -7.300 4.619 12.773 1.00 0.00 H new ATOM 1501 N ASP A 98 -3.295 2.762 12.162 1.00 0.00 N ATOM 1502 CA ASP A 98 -2.598 1.518 12.469 1.00 0.00 C ATOM 1503 C ASP A 98 -1.086 1.706 12.380 1.00 0.00 C ATOM 1504 O ASP A 98 -0.343 1.282 13.266 1.00 0.00 O ATOM 1505 CB ASP A 98 -3.043 0.409 11.514 1.00 0.00 C ATOM 1506 CG ASP A 98 -3.225 0.907 10.094 1.00 0.00 C ATOM 1507 OD1 ASP A 98 -2.806 2.047 9.807 1.00 0.00 O ATOM 1508 OD2 ASP A 98 -3.789 0.156 9.270 1.00 0.00 O ATOM 0 H ASP A 98 -4.091 2.655 11.533 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.852 1.231 13.490 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.304 -0.392 11.523 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.981 -0.018 11.869 1.00 0.00 H new ATOM 1513 N LEU A 99 -0.637 2.342 11.304 1.00 0.00 N ATOM 1514 CA LEU A 99 0.787 2.586 11.097 1.00 0.00 C ATOM 1515 C LEU A 99 1.249 3.809 11.882 1.00 0.00 C ATOM 1516 O LEU A 99 2.229 3.748 12.626 1.00 0.00 O ATOM 1517 CB LEU A 99 1.081 2.779 9.610 1.00 0.00 C ATOM 1518 CG LEU A 99 2.558 2.807 9.214 1.00 0.00 C ATOM 1519 CD1 LEU A 99 3.193 1.442 9.425 1.00 0.00 C ATOM 1520 CD2 LEU A 99 2.715 3.253 7.768 1.00 0.00 C ATOM 0 H LEU A 99 -1.238 2.698 10.561 1.00 0.00 H new ATOM 0 HA LEU A 99 1.336 1.716 11.459 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.593 1.977 9.057 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.622 3.714 9.288 1.00 0.00 H new ATOM 0 HG LEU A 99 3.071 3.526 9.852 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.244 1.481 9.138 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.114 1.162 10.476 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.677 0.702 8.813 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.773 3.267 7.504 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.187 2.559 7.114 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.298 4.253 7.648 1.00 0.00 H new ATOM 1532 N PHE A 100 0.538 4.919 11.711 1.00 0.00 N ATOM 1533 CA PHE A 100 0.875 6.157 12.404 1.00 0.00 C ATOM 1534 C PHE A 100 1.131 5.898 13.886 1.00 0.00 C ATOM 1535 O PHE A 100 2.250 6.065 14.371 1.00 0.00 O ATOM 1536 CB PHE A 100 -0.250 7.180 12.241 1.00 0.00 C ATOM 1537 CG PHE A 100 0.147 8.576 12.627 1.00 0.00 C ATOM 1538 CD1 PHE A 100 1.000 9.314 11.824 1.00 0.00 C ATOM 1539 CD2 PHE A 100 -0.332 9.149 13.794 1.00 0.00 C ATOM 1540 CE1 PHE A 100 1.368 10.600 12.175 1.00 0.00 C ATOM 1541 CE2 PHE A 100 0.033 10.434 14.151 1.00 0.00 C ATOM 1542 CZ PHE A 100 0.885 11.159 13.342 1.00 0.00 C ATOM 0 H PHE A 100 -0.275 4.986 11.099 1.00 0.00 H new ATOM 0 HA PHE A 100 1.787 6.556 11.960 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -0.583 7.180 11.203 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.101 6.872 12.849 1.00 0.00 H new ATOM 0 HD1 PHE A 100 1.383 8.880 10.912 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -0.998 8.586 14.432 1.00 0.00 H new ATOM 0 HE1 PHE A 100 2.032 11.166 11.538 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.348 10.870 15.062 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.173 12.162 13.621 1.00 0.00 H new ATOM 1552 N GLU A 101 0.087 5.492 14.600 1.00 0.00 N ATOM 1553 CA GLU A 101 0.198 5.211 16.026 1.00 0.00 C ATOM 1554 C GLU A 101 0.443 3.725 16.271 1.00 0.00 C ATOM 1555 O GLU A 101 -0.012 3.166 17.269 1.00 0.00 O ATOM 1556 CB GLU A 101 -1.071 5.657 16.757 1.00 0.00 C ATOM 1557 CG GLU A 101 -1.446 7.106 16.497 1.00 0.00 C ATOM 1558 CD GLU A 101 -2.170 7.741 17.668 1.00 0.00 C ATOM 1559 OE1 GLU A 101 -1.589 7.781 18.772 1.00 0.00 O ATOM 1560 OE2 GLU A 101 -3.318 8.196 17.480 1.00 0.00 O ATOM 0 H GLU A 101 -0.846 5.350 14.214 1.00 0.00 H new ATOM 0 HA GLU A 101 1.049 5.771 16.415 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.899 5.016 16.454 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.932 5.513 17.829 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.544 7.677 16.280 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.079 7.160 15.611 1.00 0.00 H new ATOM 1567 N SER A 102 1.167 3.093 15.353 1.00 0.00 N ATOM 1568 CA SER A 102 1.471 1.671 15.467 1.00 0.00 C ATOM 1569 C SER A 102 0.256 0.894 15.964 1.00 0.00 C ATOM 1570 O SER A 102 0.391 -0.147 16.607 1.00 0.00 O ATOM 1571 CB SER A 102 2.653 1.453 16.415 1.00 0.00 C ATOM 1572 OG SER A 102 2.309 1.796 17.746 1.00 0.00 O ATOM 0 H SER A 102 1.554 3.542 14.523 1.00 0.00 H new ATOM 0 HA SER A 102 1.737 1.302 14.477 1.00 0.00 H new ATOM 0 HB2 SER A 102 2.968 0.410 16.375 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.501 2.055 16.089 1.00 0.00 H new ATOM 0 HG SER A 102 1.408 2.180 17.762 1.00 0.00 H new ATOM 1578 N GLY A 103 -0.932 1.408 15.663 1.00 0.00 N ATOM 1579 CA GLY A 103 -2.155 0.751 16.087 1.00 0.00 C ATOM 1580 C GLY A 103 -2.293 -0.644 15.511 1.00 0.00 C ATOM 1581 O GLY A 103 -3.090 -1.447 15.994 1.00 0.00 O ATOM 0 H GLY A 103 -1.070 2.268 15.133 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.175 0.695 17.175 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -3.011 1.353 15.783 1.00 0.00 H new ATOM 1585 N ASN A 104 -1.516 -0.933 14.471 1.00 0.00 N ATOM 1586 CA ASN A 104 -1.557 -2.241 13.827 1.00 0.00 C ATOM 1587 C ASN A 104 -0.487 -2.348 12.745 1.00 0.00 C ATOM 1588 O ASN A 104 -0.547 -1.658 11.728 1.00 0.00 O ATOM 1589 CB ASN A 104 -2.939 -2.489 13.218 1.00 0.00 C ATOM 1590 CG ASN A 104 -3.314 -3.959 13.216 1.00 0.00 C ATOM 1591 OD1 ASN A 104 -2.425 -4.795 12.692 1.00 0.00 O flip ATOM 1592 ND2 ASN A 104 -4.389 -4.337 13.679 1.00 0.00 N flip ATOM 0 H ASN A 104 -0.851 -0.279 14.057 1.00 0.00 H new ATOM 0 HA ASN A 104 -1.359 -2.998 14.586 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.686 -1.927 13.778 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.956 -2.111 12.196 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -5.042 -3.659 14.072 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -4.628 -5.329 13.670 1.00 0.00 H new ATOM 1599 N MET A 105 0.493 -3.217 12.974 1.00 0.00 N ATOM 1600 CA MET A 105 1.576 -3.416 12.018 1.00 0.00 C ATOM 1601 C MET A 105 1.355 -4.685 11.202 1.00 0.00 C ATOM 1602 O MET A 105 1.996 -4.894 10.171 1.00 0.00 O ATOM 1603 CB MET A 105 2.919 -3.492 12.746 1.00 0.00 C ATOM 1604 CG MET A 105 3.346 -2.173 13.372 1.00 0.00 C ATOM 1605 SD MET A 105 3.247 -0.792 12.218 1.00 0.00 S ATOM 1606 CE MET A 105 4.104 -1.471 10.801 1.00 0.00 C ATOM 0 H MET A 105 0.559 -3.794 13.813 1.00 0.00 H new ATOM 0 HA MET A 105 1.587 -2.565 11.337 1.00 0.00 H new ATOM 0 HB2 MET A 105 2.858 -4.252 13.525 1.00 0.00 H new ATOM 0 HB3 MET A 105 3.686 -3.817 12.043 1.00 0.00 H new ATOM 0 HG2 MET A 105 2.716 -1.965 14.237 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.369 -2.263 13.738 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.649 -0.677 10.290 1.00 0.00 H new ATOM 0 HE2 MET A 105 4.805 -2.237 11.132 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.381 -1.913 10.116 1.00 0.00 H new ATOM 1616 N THR A 106 0.442 -5.533 11.668 1.00 0.00 N ATOM 1617 CA THR A 106 0.137 -6.781 10.982 1.00 0.00 C ATOM 1618 C THR A 106 -0.728 -6.536 9.752 1.00 0.00 C ATOM 1619 O THR A 106 -0.502 -7.126 8.695 1.00 0.00 O ATOM 1620 CB THR A 106 -0.585 -7.772 11.914 1.00 0.00 C ATOM 1621 OG1 THR A 106 -1.965 -7.412 12.039 1.00 0.00 O ATOM 1622 CG2 THR A 106 0.065 -7.793 13.290 1.00 0.00 C ATOM 0 H THR A 106 -0.099 -5.377 12.519 1.00 0.00 H new ATOM 0 HA THR A 106 1.089 -7.212 10.673 1.00 0.00 H new ATOM 0 HB THR A 106 -0.508 -8.768 11.477 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.035 -6.467 12.290 1.00 0.00 H new ATOM 0 HG21 THR A 106 -0.462 -8.500 13.931 1.00 0.00 H new ATOM 0 HG22 THR A 106 1.108 -8.097 13.195 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.016 -6.797 13.731 1.00 0.00 H new ATOM 1630 N GLN A 107 -1.719 -5.662 9.896 1.00 0.00 N ATOM 1631 CA GLN A 107 -2.619 -5.339 8.794 1.00 0.00 C ATOM 1632 C GLN A 107 -1.890 -4.556 7.708 1.00 0.00 C ATOM 1633 O GLN A 107 -2.176 -4.708 6.521 1.00 0.00 O ATOM 1634 CB GLN A 107 -3.817 -4.536 9.304 1.00 0.00 C ATOM 1635 CG GLN A 107 -5.078 -4.736 8.481 1.00 0.00 C ATOM 1636 CD GLN A 107 -5.725 -6.086 8.722 1.00 0.00 C ATOM 1637 OE1 GLN A 107 -5.640 -6.640 9.819 1.00 0.00 O ATOM 1638 NE2 GLN A 107 -6.376 -6.623 7.698 1.00 0.00 N ATOM 0 H GLN A 107 -1.919 -5.165 10.764 1.00 0.00 H new ATOM 0 HA GLN A 107 -2.976 -6.274 8.363 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -4.019 -4.818 10.337 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -3.559 -3.477 9.307 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.792 -3.948 8.720 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -4.836 -4.637 7.423 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -6.421 -6.129 6.807 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -6.831 -7.530 7.802 1.00 0.00 H new ATOM 1647 N VAL A 108 -0.947 -3.716 8.124 1.00 0.00 N ATOM 1648 CA VAL A 108 -0.176 -2.908 7.185 1.00 0.00 C ATOM 1649 C VAL A 108 0.856 -3.755 6.449 1.00 0.00 C ATOM 1650 O VAL A 108 1.253 -3.432 5.331 1.00 0.00 O ATOM 1651 CB VAL A 108 0.544 -1.750 7.903 1.00 0.00 C ATOM 1652 CG1 VAL A 108 1.420 -0.981 6.926 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -0.466 -0.827 8.568 1.00 0.00 C ATOM 0 H VAL A 108 -0.699 -3.577 9.104 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.883 -2.497 6.465 1.00 0.00 H new ATOM 0 HB VAL A 108 1.186 -2.167 8.679 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.921 -0.167 7.450 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.166 -1.652 6.500 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.802 -0.572 6.127 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.059 -0.015 9.071 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.134 -0.414 7.812 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.047 -1.390 9.298 1.00 0.00 H new ATOM 1663 N GLN A 109 1.285 -4.841 7.085 1.00 0.00 N ATOM 1664 CA GLN A 109 2.271 -5.734 6.489 1.00 0.00 C ATOM 1665 C GLN A 109 1.666 -6.515 5.327 1.00 0.00 C ATOM 1666 O GLN A 109 2.209 -6.523 4.222 1.00 0.00 O ATOM 1667 CB GLN A 109 2.814 -6.702 7.542 1.00 0.00 C ATOM 1668 CG GLN A 109 3.939 -7.589 7.030 1.00 0.00 C ATOM 1669 CD GLN A 109 4.914 -7.982 8.122 1.00 0.00 C ATOM 1670 OE1 GLN A 109 5.023 -7.306 9.146 1.00 0.00 O ATOM 1671 NE2 GLN A 109 5.629 -9.080 7.909 1.00 0.00 N ATOM 0 H GLN A 109 0.965 -5.123 8.012 1.00 0.00 H new ATOM 0 HA GLN A 109 3.091 -5.126 6.106 1.00 0.00 H new ATOM 0 HB2 GLN A 109 3.174 -6.131 8.398 1.00 0.00 H new ATOM 0 HB3 GLN A 109 1.999 -7.332 7.899 1.00 0.00 H new ATOM 0 HG2 GLN A 109 3.514 -8.489 6.586 1.00 0.00 H new ATOM 0 HG3 GLN A 109 4.477 -7.067 6.238 1.00 0.00 H new ATOM 0 HE21 GLN A 109 5.506 -9.609 7.046 1.00 0.00 H new ATOM 0 HE22 GLN A 109 6.301 -9.394 8.609 1.00 0.00 H new ATOM 1680 N VAL A 110 0.540 -7.172 5.584 1.00 0.00 N ATOM 1681 CA VAL A 110 -0.139 -7.955 4.558 1.00 0.00 C ATOM 1682 C VAL A 110 -0.508 -7.089 3.359 1.00 0.00 C ATOM 1683 O VAL A 110 -0.343 -7.499 2.211 1.00 0.00 O ATOM 1684 CB VAL A 110 -1.415 -8.618 5.112 1.00 0.00 C ATOM 1685 CG1 VAL A 110 -1.062 -9.665 6.158 1.00 0.00 C ATOM 1686 CG2 VAL A 110 -2.352 -7.569 5.690 1.00 0.00 C ATOM 0 H VAL A 110 0.078 -7.178 6.494 1.00 0.00 H new ATOM 0 HA VAL A 110 0.557 -8.731 4.240 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.929 -9.118 4.292 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.976 -10.122 6.538 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.433 -10.432 5.707 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -0.525 -9.192 6.980 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.248 -8.055 6.077 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.849 -7.038 6.499 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.631 -6.861 4.910 1.00 0.00 H new ATOM 1696 N SER A 111 -1.010 -5.889 3.635 1.00 0.00 N ATOM 1697 CA SER A 111 -1.406 -4.965 2.579 1.00 0.00 C ATOM 1698 C SER A 111 -0.334 -4.885 1.497 1.00 0.00 C ATOM 1699 O SER A 111 -0.632 -4.953 0.303 1.00 0.00 O ATOM 1700 CB SER A 111 -1.665 -3.574 3.160 1.00 0.00 C ATOM 1701 OG SER A 111 -2.434 -2.784 2.270 1.00 0.00 O ATOM 0 H SER A 111 -1.152 -5.534 4.581 1.00 0.00 H new ATOM 0 HA SER A 111 -2.325 -5.340 2.128 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.187 -3.666 4.113 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.715 -3.079 3.363 1.00 0.00 H new ATOM 0 HG SER A 111 -3.222 -3.290 1.980 1.00 0.00 H new ATOM 1707 N LEU A 112 0.917 -4.740 1.921 1.00 0.00 N ATOM 1708 CA LEU A 112 2.036 -4.650 0.991 1.00 0.00 C ATOM 1709 C LEU A 112 2.346 -6.012 0.379 1.00 0.00 C ATOM 1710 O LEU A 112 2.624 -6.120 -0.816 1.00 0.00 O ATOM 1711 CB LEU A 112 3.275 -4.103 1.701 1.00 0.00 C ATOM 1712 CG LEU A 112 3.088 -2.788 2.459 1.00 0.00 C ATOM 1713 CD1 LEU A 112 4.376 -2.391 3.165 1.00 0.00 C ATOM 1714 CD2 LEU A 112 2.636 -1.687 1.512 1.00 0.00 C ATOM 0 H LEU A 112 1.181 -4.682 2.904 1.00 0.00 H new ATOM 0 HA LEU A 112 1.755 -3.967 0.189 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.629 -4.857 2.404 1.00 0.00 H new ATOM 0 HB3 LEU A 112 4.062 -3.963 0.960 1.00 0.00 H new ATOM 0 HG LEU A 112 2.314 -2.932 3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.224 -1.453 3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.658 -3.170 3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.170 -2.265 2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.508 -0.758 2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.387 -1.544 0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.688 -1.968 1.053 1.00 0.00 H new ATOM 1726 N LEU A 113 2.295 -7.051 1.205 1.00 0.00 N ATOM 1727 CA LEU A 113 2.568 -8.408 0.746 1.00 0.00 C ATOM 1728 C LEU A 113 1.580 -8.825 -0.339 1.00 0.00 C ATOM 1729 O LEU A 113 1.920 -9.592 -1.240 1.00 0.00 O ATOM 1730 CB LEU A 113 2.499 -9.388 1.919 1.00 0.00 C ATOM 1731 CG LEU A 113 3.779 -9.541 2.741 1.00 0.00 C ATOM 1732 CD1 LEU A 113 3.504 -10.322 4.017 1.00 0.00 C ATOM 1733 CD2 LEU A 113 4.863 -10.224 1.920 1.00 0.00 C ATOM 0 H LEU A 113 2.067 -6.979 2.197 1.00 0.00 H new ATOM 0 HA LEU A 113 3.573 -8.427 0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.698 -9.069 2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.220 -10.368 1.532 1.00 0.00 H new ATOM 0 HG LEU A 113 4.131 -8.547 3.016 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.427 -10.421 4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.761 -9.793 4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.127 -11.313 3.763 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.766 -10.324 2.522 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.519 -11.212 1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.081 -9.626 1.035 1.00 0.00 H new ATOM 1745 N ALA A 114 0.357 -8.314 -0.247 1.00 0.00 N ATOM 1746 CA ALA A 114 -0.678 -8.630 -1.222 1.00 0.00 C ATOM 1747 C ALA A 114 -0.578 -7.723 -2.443 1.00 0.00 C ATOM 1748 O ALA A 114 -0.620 -8.190 -3.582 1.00 0.00 O ATOM 1749 CB ALA A 114 -2.056 -8.513 -0.586 1.00 0.00 C ATOM 0 H ALA A 114 0.059 -7.679 0.494 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.529 -9.658 -1.553 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.820 -8.752 -1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -2.131 -9.208 0.250 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -2.205 -7.495 -0.226 1.00 0.00 H new ATOM 1755 N LEU A 115 -0.445 -6.423 -2.199 1.00 0.00 N ATOM 1756 CA LEU A 115 -0.338 -5.449 -3.280 1.00 0.00 C ATOM 1757 C LEU A 115 0.828 -5.786 -4.205 1.00 0.00 C ATOM 1758 O LEU A 115 0.756 -5.572 -5.414 1.00 0.00 O ATOM 1759 CB LEU A 115 -0.162 -4.042 -2.708 1.00 0.00 C ATOM 1760 CG LEU A 115 0.469 -3.011 -3.646 1.00 0.00 C ATOM 1761 CD1 LEU A 115 -0.602 -2.319 -4.476 1.00 0.00 C ATOM 1762 CD2 LEU A 115 1.273 -1.991 -2.854 1.00 0.00 C ATOM 0 H LEU A 115 -0.409 -6.020 -1.263 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.259 -5.485 -3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -1.140 -3.672 -2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.452 -4.110 -1.810 1.00 0.00 H new ATOM 0 HG LEU A 115 1.146 -3.531 -4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -0.135 -1.589 -5.137 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.135 -3.059 -5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.304 -1.812 -3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.714 -1.266 -3.537 1.00 0.00 H new ATOM 0 HD22 LEU A 115 0.617 -1.476 -2.152 1.00 0.00 H new ATOM 0 HD23 LEU A 115 2.065 -2.500 -2.304 1.00 0.00 H new ATOM 1774 N ALA A 116 1.900 -6.315 -3.625 1.00 0.00 N ATOM 1775 CA ALA A 116 3.080 -6.685 -4.396 1.00 0.00 C ATOM 1776 C ALA A 116 2.766 -7.813 -5.374 1.00 0.00 C ATOM 1777 O ALA A 116 2.976 -7.682 -6.578 1.00 0.00 O ATOM 1778 CB ALA A 116 4.214 -7.090 -3.467 1.00 0.00 C ATOM 0 H ALA A 116 1.976 -6.497 -2.624 1.00 0.00 H new ATOM 0 HA ALA A 116 3.392 -5.815 -4.973 1.00 0.00 H new ATOM 0 HB1 ALA A 116 5.088 -7.364 -4.058 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.465 -6.255 -2.813 1.00 0.00 H new ATOM 0 HB3 ALA A 116 3.903 -7.943 -2.863 1.00 0.00 H new ATOM 1784 N GLY A 117 2.262 -8.925 -4.844 1.00 0.00 N ATOM 1785 CA GLY A 117 1.928 -10.061 -5.683 1.00 0.00 C ATOM 1786 C GLY A 117 1.136 -9.660 -6.912 1.00 0.00 C ATOM 1787 O GLY A 117 1.329 -10.217 -7.993 1.00 0.00 O ATOM 0 H GLY A 117 2.080 -9.058 -3.849 1.00 0.00 H new ATOM 0 HA2 GLY A 117 2.845 -10.562 -5.993 1.00 0.00 H new ATOM 0 HA3 GLY A 117 1.352 -10.781 -5.102 1.00 0.00 H new ATOM 1791 N LYS A 118 0.240 -8.694 -6.748 1.00 0.00 N ATOM 1792 CA LYS A 118 -0.585 -8.219 -7.852 1.00 0.00 C ATOM 1793 C LYS A 118 0.233 -7.362 -8.813 1.00 0.00 C ATOM 1794 O LYS A 118 0.095 -7.476 -10.032 1.00 0.00 O ATOM 1795 CB LYS A 118 -1.773 -7.413 -7.319 1.00 0.00 C ATOM 1796 CG LYS A 118 -2.800 -7.067 -8.383 1.00 0.00 C ATOM 1797 CD LYS A 118 -3.807 -6.049 -7.876 1.00 0.00 C ATOM 1798 CE LYS A 118 -5.050 -6.725 -7.318 1.00 0.00 C ATOM 1799 NZ LYS A 118 -4.744 -7.533 -6.104 1.00 0.00 N ATOM 0 H LYS A 118 0.066 -8.224 -5.860 1.00 0.00 H new ATOM 0 HA LYS A 118 -0.957 -9.088 -8.394 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -2.260 -7.981 -6.527 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.403 -6.491 -6.869 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.294 -6.672 -9.264 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -3.322 -7.972 -8.694 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -3.347 -5.435 -7.102 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -4.089 -5.379 -8.688 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -5.796 -5.969 -7.073 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -5.488 -7.368 -8.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -5.619 -7.694 -5.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -4.339 -8.448 -6.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -4.060 -7.022 -5.510 1.00 0.00 H new ATOM 1813 N ALA A 119 1.085 -6.507 -8.259 1.00 0.00 N ATOM 1814 CA ALA A 119 1.928 -5.636 -9.067 1.00 0.00 C ATOM 1815 C ALA A 119 2.863 -6.447 -9.959 1.00 0.00 C ATOM 1816 O ALA A 119 3.214 -6.019 -11.058 1.00 0.00 O ATOM 1817 CB ALA A 119 2.729 -4.699 -8.174 1.00 0.00 C ATOM 0 H ALA A 119 1.210 -6.399 -7.252 1.00 0.00 H new ATOM 0 HA ALA A 119 1.280 -5.042 -9.711 1.00 0.00 H new ATOM 0 HB1 ALA A 119 3.354 -4.054 -8.791 1.00 0.00 H new ATOM 0 HB2 ALA A 119 2.047 -4.086 -7.585 1.00 0.00 H new ATOM 0 HB3 ALA A 119 3.360 -5.285 -7.506 1.00 0.00 H new