USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=25 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 83 MET CE :methyl 171:sc= -2.52 (180deg=-1.86) USER MOD Set 1.2: A 111 SER OG : rot 60:sc= 0.0202 USER MOD Set 2.1: A 104 ASN : amide:sc= 0.483 K(o=1.2,f=-2.5) USER MOD Set 2.2: A 106 THR OG1 : rot -56:sc= 0.681 USER MOD Set 3.1: A 43 LYS NZ :NH3+ -149:sc= 1.06 (180deg=0) USER MOD Set 3.2: A 72 GLN : amide:sc= -0.746 K(o=0.31,f=-12!) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 18 LYS NZ :NH3+ -158:sc= -0.0425 (180deg=-0.335) USER MOD Single : A 24 THR OG1 : rot 72:sc= 1.26 USER MOD Single : A 30 THR OG1 : rot -110:sc= 0.0589 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -1.66 F(o=-3.8!,f=-1.7) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0827 USER MOD Single : A 49 CYS SG : rot 114:sc= 0.421 USER MOD Single : A 50 THR OG1 : rot -9:sc= 0.431 USER MOD Single : A 52 MET CE :methyl 143:sc= -2.4 (180deg=-3.76!) USER MOD Single : A 53 ASN :FLIP amide:sc= -0.574 F(o=-1.6,f=-0.57) USER MOD Single : A 54 LYS NZ :NH3+ -160:sc= -0.0167 (180deg=-0.398) USER MOD Single : A 56 GLN : amide:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 59 SER OG : rot -77:sc= 0.114 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -2.33! C(o=-2.3!,f=-2.5!) 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= 0.499 K(o=0.5,f=-0.074) USER MOD Single : A 69 ASN : amide:sc= -0.487 K(o=-0.49,f=-1.9) USER MOD Single : A 71 HIS : no HD1:sc= -2.9 K(o=-2.9,f=-6!) USER MOD Single : A 75 ASN : amide:sc= -2.82! C(o=-2.8!,f=-8.4!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.879 K(o=-0.88,f=-1.8!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 130:sc= -0.494 USER MOD Single : A 88 MET CE :methyl -132:sc= -1.94! (180deg=-2.23!) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 97 ASN :FLIP amide:sc= -1.02 F(o=-2.3,f=-1) USER MOD Single : A 102 SER OG : rot -9:sc= 0.371 USER MOD Single : A 105 MET CE :methyl 163:sc= -1.55 (180deg=-3.2!) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 109 GLN : amide:sc= -0.0253 X(o=-0.025,f=-0.23) USER MOD Single : A 118 LYS NZ :NH3+ -162:sc= -0.0747 (180deg=-0.399) USER MOD ----------------------------------------------------------------- ATOM 196 N ASP A 15 5.343 -12.412 9.011 1.00 0.00 N ATOM 197 CA ASP A 15 6.594 -13.161 8.989 1.00 0.00 C ATOM 198 C ASP A 15 7.790 -12.229 9.164 1.00 0.00 C ATOM 199 O ASP A 15 7.840 -11.133 8.606 1.00 0.00 O ATOM 200 CB ASP A 15 6.725 -13.936 7.677 1.00 0.00 C ATOM 201 CG ASP A 15 7.532 -15.210 7.835 1.00 0.00 C ATOM 202 OD1 ASP A 15 7.088 -16.103 8.586 1.00 0.00 O ATOM 203 OD2 ASP A 15 8.607 -15.314 7.208 1.00 0.00 O ATOM 0 HA ASP A 15 6.581 -13.866 9.820 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.731 -14.183 7.303 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.198 -13.300 6.929 1.00 0.00 H new ATOM 208 N PRO A 16 8.774 -12.672 9.960 1.00 0.00 N ATOM 209 CA PRO A 16 9.986 -11.892 10.229 1.00 0.00 C ATOM 210 C PRO A 16 10.890 -11.787 9.005 1.00 0.00 C ATOM 211 O PRO A 16 11.761 -10.920 8.939 1.00 0.00 O ATOM 212 CB PRO A 16 10.680 -12.687 11.338 1.00 0.00 C ATOM 213 CG PRO A 16 10.190 -14.083 11.168 1.00 0.00 C ATOM 214 CD PRO A 16 8.780 -13.969 10.659 1.00 0.00 C ATOM 0 HA PRO A 16 9.756 -10.862 10.503 1.00 0.00 H new ATOM 0 HB2 PRO A 16 11.765 -12.634 11.243 1.00 0.00 H new ATOM 0 HB3 PRO A 16 10.426 -12.296 12.323 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.815 -14.633 10.465 1.00 0.00 H new ATOM 0 HG3 PRO A 16 10.221 -14.625 12.113 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.528 -14.789 9.987 1.00 0.00 H new ATOM 0 HD3 PRO A 16 8.056 -13.990 11.473 1.00 0.00 H new ATOM 222 N GLN A 17 10.676 -12.674 8.038 1.00 0.00 N ATOM 223 CA GLN A 17 11.471 -12.678 6.817 1.00 0.00 C ATOM 224 C GLN A 17 10.766 -11.911 5.703 1.00 0.00 C ATOM 225 O GLN A 17 11.383 -11.113 4.998 1.00 0.00 O ATOM 226 CB GLN A 17 11.746 -14.115 6.368 1.00 0.00 C ATOM 227 CG GLN A 17 12.550 -14.924 7.373 1.00 0.00 C ATOM 228 CD GLN A 17 12.732 -16.368 6.948 1.00 0.00 C ATOM 229 OE1 GLN A 17 11.844 -16.963 6.338 1.00 0.00 O ATOM 230 NE2 GLN A 17 13.887 -16.939 7.269 1.00 0.00 N ATOM 0 H GLN A 17 9.959 -13.398 8.077 1.00 0.00 H new ATOM 0 HA GLN A 17 12.418 -12.182 7.029 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.796 -14.618 6.186 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.282 -14.094 5.419 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.528 -14.462 7.506 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.050 -14.894 8.341 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.595 -16.408 7.775 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.066 -17.909 7.009 1.00 0.00 H new ATOM 239 N LYS A 18 9.470 -12.159 5.551 1.00 0.00 N ATOM 240 CA LYS A 18 8.678 -11.491 4.524 1.00 0.00 C ATOM 241 C LYS A 18 8.843 -9.977 4.609 1.00 0.00 C ATOM 242 O LYS A 18 8.999 -9.303 3.592 1.00 0.00 O ATOM 243 CB LYS A 18 7.201 -11.863 4.669 1.00 0.00 C ATOM 244 CG LYS A 18 6.933 -13.352 4.543 1.00 0.00 C ATOM 245 CD LYS A 18 6.946 -13.801 3.092 1.00 0.00 C ATOM 246 CE LYS A 18 5.561 -13.715 2.470 1.00 0.00 C ATOM 247 NZ LYS A 18 4.629 -14.722 3.048 1.00 0.00 N ATOM 0 H LYS A 18 8.945 -12.818 6.126 1.00 0.00 H new ATOM 0 HA LYS A 18 9.036 -11.823 3.550 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.842 -11.519 5.639 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.626 -11.333 3.910 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.686 -13.907 5.103 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.967 -13.587 4.989 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.640 -13.181 2.524 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.311 -14.826 3.030 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.156 -12.715 2.624 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.637 -13.866 1.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.849 -14.896 2.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.141 -15.611 3.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.245 -14.364 3.946 1.00 0.00 H new ATOM 261 N GLU A 19 8.810 -9.450 5.829 1.00 0.00 N ATOM 262 CA GLU A 19 8.956 -8.015 6.045 1.00 0.00 C ATOM 263 C GLU A 19 10.097 -7.452 5.202 1.00 0.00 C ATOM 264 O GLU A 19 9.957 -6.405 4.571 1.00 0.00 O ATOM 265 CB GLU A 19 9.209 -7.723 7.525 1.00 0.00 C ATOM 266 CG GLU A 19 9.294 -6.240 7.847 1.00 0.00 C ATOM 267 CD GLU A 19 10.662 -5.656 7.548 1.00 0.00 C ATOM 268 OE1 GLU A 19 11.645 -6.425 7.531 1.00 0.00 O ATOM 269 OE2 GLU A 19 10.747 -4.429 7.332 1.00 0.00 O ATOM 0 H GLU A 19 8.684 -9.995 6.682 1.00 0.00 H new ATOM 0 HA GLU A 19 8.028 -7.531 5.740 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.410 -8.169 8.117 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.138 -8.206 7.828 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.540 -5.703 7.271 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.060 -6.087 8.900 1.00 0.00 H new ATOM 276 N ALA A 20 11.224 -8.155 5.198 1.00 0.00 N ATOM 277 CA ALA A 20 12.389 -7.727 4.432 1.00 0.00 C ATOM 278 C ALA A 20 12.102 -7.756 2.934 1.00 0.00 C ATOM 279 O ALA A 20 12.581 -6.905 2.185 1.00 0.00 O ATOM 280 CB ALA A 20 13.587 -8.604 4.759 1.00 0.00 C ATOM 0 H ALA A 20 11.356 -9.024 5.716 1.00 0.00 H new ATOM 0 HA ALA A 20 12.619 -6.699 4.711 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.449 -8.273 4.180 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.814 -8.529 5.823 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.358 -9.640 4.509 1.00 0.00 H new ATOM 286 N GLU A 21 11.319 -8.741 2.506 1.00 0.00 N ATOM 287 CA GLU A 21 10.971 -8.880 1.098 1.00 0.00 C ATOM 288 C GLU A 21 10.215 -7.651 0.599 1.00 0.00 C ATOM 289 O GLU A 21 10.404 -7.212 -0.536 1.00 0.00 O ATOM 290 CB GLU A 21 10.123 -10.135 0.880 1.00 0.00 C ATOM 291 CG GLU A 21 10.841 -11.425 1.242 1.00 0.00 C ATOM 292 CD GLU A 21 10.361 -12.609 0.425 1.00 0.00 C ATOM 293 OE1 GLU A 21 9.236 -13.089 0.681 1.00 0.00 O ATOM 294 OE2 GLU A 21 11.109 -13.056 -0.469 1.00 0.00 O ATOM 0 H GLU A 21 10.914 -9.453 3.114 1.00 0.00 H new ATOM 0 HA GLU A 21 11.897 -8.972 0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.213 -10.056 1.475 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.818 -10.180 -0.165 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.913 -11.295 1.091 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.692 -11.635 2.301 1.00 0.00 H new ATOM 301 N LEU A 22 9.361 -7.103 1.455 1.00 0.00 N ATOM 302 CA LEU A 22 8.576 -5.924 1.102 1.00 0.00 C ATOM 303 C LEU A 22 9.477 -4.710 0.902 1.00 0.00 C ATOM 304 O LEU A 22 9.599 -4.192 -0.208 1.00 0.00 O ATOM 305 CB LEU A 22 7.542 -5.632 2.191 1.00 0.00 C ATOM 306 CG LEU A 22 6.427 -6.667 2.353 1.00 0.00 C ATOM 307 CD1 LEU A 22 5.588 -6.358 3.583 1.00 0.00 C ATOM 308 CD2 LEU A 22 5.555 -6.709 1.106 1.00 0.00 C ATOM 0 H LEU A 22 9.194 -7.455 2.398 1.00 0.00 H new ATOM 0 HA LEU A 22 8.060 -6.128 0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.064 -5.537 3.143 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.085 -4.665 1.980 1.00 0.00 H new ATOM 0 HG LEU A 22 6.883 -7.648 2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.800 -7.104 3.683 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.221 -6.378 4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.141 -5.369 3.479 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.767 -7.450 1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.107 -5.729 0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.165 -6.978 0.244 1.00 0.00 H new ATOM 320 N ARG A 23 10.107 -4.263 1.982 1.00 0.00 N ATOM 321 CA ARG A 23 10.999 -3.110 1.925 1.00 0.00 C ATOM 322 C ARG A 23 11.982 -3.240 0.766 1.00 0.00 C ATOM 323 O ARG A 23 12.314 -2.256 0.104 1.00 0.00 O ATOM 324 CB ARG A 23 11.763 -2.963 3.242 1.00 0.00 C ATOM 325 CG ARG A 23 12.642 -4.158 3.573 1.00 0.00 C ATOM 326 CD ARG A 23 13.373 -3.964 4.892 1.00 0.00 C ATOM 327 NE ARG A 23 14.446 -2.980 4.784 1.00 0.00 N ATOM 328 CZ ARG A 23 14.907 -2.277 5.813 1.00 0.00 C ATOM 329 NH1 ARG A 23 14.389 -2.450 7.022 1.00 0.00 N ATOM 330 NH2 ARG A 23 15.886 -1.400 5.635 1.00 0.00 N ATOM 0 H ARG A 23 10.017 -4.681 2.908 1.00 0.00 H new ATOM 0 HA ARG A 23 10.391 -2.220 1.765 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.384 -2.068 3.194 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.049 -2.813 4.052 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.030 -5.058 3.624 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.367 -4.311 2.773 1.00 0.00 H new ATOM 0 HD2 ARG A 23 12.664 -3.645 5.656 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.787 -4.917 5.220 1.00 0.00 H new ATOM 0 HE ARG A 23 14.865 -2.823 3.867 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.636 -3.123 7.163 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.744 -1.910 7.811 1.00 0.00 H new ATOM 0 HH21 ARG A 23 16.286 -1.264 4.707 1.00 0.00 H new ATOM 0 HH22 ARG A 23 16.238 -0.861 6.426 1.00 0.00 H new ATOM 344 N THR A 24 12.446 -4.462 0.525 1.00 0.00 N ATOM 345 CA THR A 24 13.393 -4.722 -0.553 1.00 0.00 C ATOM 346 C THR A 24 12.719 -4.607 -1.915 1.00 0.00 C ATOM 347 O THR A 24 13.360 -4.256 -2.907 1.00 0.00 O ATOM 348 CB THR A 24 14.024 -6.120 -0.421 1.00 0.00 C ATOM 349 OG1 THR A 24 14.660 -6.253 0.855 1.00 0.00 O ATOM 350 CG2 THR A 24 15.040 -6.362 -1.527 1.00 0.00 C ATOM 0 H THR A 24 12.181 -5.288 1.062 1.00 0.00 H new ATOM 0 HA THR A 24 14.177 -3.969 -0.474 1.00 0.00 H new ATOM 0 HB THR A 24 13.230 -6.862 -0.510 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.978 -6.318 1.555 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.472 -7.356 -1.413 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.547 -6.290 -2.496 1.00 0.00 H new ATOM 0 HG23 THR A 24 15.830 -5.614 -1.465 1.00 0.00 H new ATOM 358 N TRP A 25 11.425 -4.902 -1.957 1.00 0.00 N ATOM 359 CA TRP A 25 10.665 -4.831 -3.200 1.00 0.00 C ATOM 360 C TRP A 25 10.136 -3.420 -3.434 1.00 0.00 C ATOM 361 O TRP A 25 9.883 -3.023 -4.572 1.00 0.00 O ATOM 362 CB TRP A 25 9.504 -5.826 -3.169 1.00 0.00 C ATOM 363 CG TRP A 25 8.392 -5.469 -4.108 1.00 0.00 C ATOM 364 CD1 TRP A 25 8.380 -5.628 -5.464 1.00 0.00 C ATOM 365 CD2 TRP A 25 7.128 -4.892 -3.759 1.00 0.00 C ATOM 366 NE1 TRP A 25 7.186 -5.183 -5.980 1.00 0.00 N ATOM 367 CE2 TRP A 25 6.401 -4.729 -4.954 1.00 0.00 C ATOM 368 CE3 TRP A 25 6.540 -4.499 -2.554 1.00 0.00 C ATOM 369 CZ2 TRP A 25 5.118 -4.189 -4.976 1.00 0.00 C ATOM 370 CZ3 TRP A 25 5.266 -3.963 -2.577 1.00 0.00 C ATOM 371 CH2 TRP A 25 4.566 -3.813 -3.781 1.00 0.00 C ATOM 0 H TRP A 25 10.880 -5.193 -1.145 1.00 0.00 H new ATOM 0 HA TRP A 25 11.333 -5.089 -4.021 1.00 0.00 H new ATOM 0 HB2 TRP A 25 9.878 -6.818 -3.421 1.00 0.00 H new ATOM 0 HB3 TRP A 25 9.110 -5.882 -2.154 1.00 0.00 H new ATOM 0 HD1 TRP A 25 9.190 -6.043 -6.046 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.927 -5.190 -6.967 1.00 0.00 H new ATOM 0 HE3 TRP A 25 7.072 -4.612 -1.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.577 -4.071 -5.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.803 -3.655 -1.651 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.571 -3.392 -3.766 1.00 0.00 H new ATOM 382 N ILE A 26 9.971 -2.667 -2.351 1.00 0.00 N ATOM 383 CA ILE A 26 9.473 -1.301 -2.441 1.00 0.00 C ATOM 384 C ILE A 26 10.613 -0.313 -2.661 1.00 0.00 C ATOM 385 O ILE A 26 10.507 0.601 -3.478 1.00 0.00 O ATOM 386 CB ILE A 26 8.700 -0.899 -1.170 1.00 0.00 C ATOM 387 CG1 ILE A 26 7.567 -1.891 -0.902 1.00 0.00 C ATOM 388 CG2 ILE A 26 8.152 0.514 -1.308 1.00 0.00 C ATOM 389 CD1 ILE A 26 6.872 -1.672 0.424 1.00 0.00 C ATOM 0 H ILE A 26 10.175 -2.980 -1.402 1.00 0.00 H new ATOM 0 HA ILE A 26 8.796 -1.268 -3.295 1.00 0.00 H new ATOM 0 HB ILE A 26 9.386 -0.921 -0.323 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.833 -1.817 -1.704 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.968 -2.904 -0.930 1.00 0.00 H new ATOM 0 HG21 ILE A 26 7.609 0.784 -0.402 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.977 1.211 -1.457 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.478 0.561 -2.163 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.080 -2.411 0.546 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.594 -1.775 1.234 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.441 -0.671 0.448 1.00 0.00 H new ATOM 401 N GLU A 27 11.706 -0.505 -1.927 1.00 0.00 N ATOM 402 CA GLU A 27 12.868 0.369 -2.044 1.00 0.00 C ATOM 403 C GLU A 27 13.382 0.402 -3.480 1.00 0.00 C ATOM 404 O GLU A 27 13.823 1.441 -3.970 1.00 0.00 O ATOM 405 CB GLU A 27 13.980 -0.097 -1.104 1.00 0.00 C ATOM 406 CG GLU A 27 13.772 0.323 0.342 1.00 0.00 C ATOM 407 CD GLU A 27 14.711 -0.386 1.298 1.00 0.00 C ATOM 408 OE1 GLU A 27 15.788 -0.834 0.848 1.00 0.00 O ATOM 409 OE2 GLU A 27 14.371 -0.495 2.494 1.00 0.00 O ATOM 0 H GLU A 27 11.811 -1.257 -1.246 1.00 0.00 H new ATOM 0 HA GLU A 27 12.562 1.377 -1.763 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.052 -1.184 -1.151 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.932 0.301 -1.456 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.918 1.400 0.428 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.742 0.117 0.631 1.00 0.00 H new ATOM 416 N GLY A 28 13.320 -0.744 -4.152 1.00 0.00 N ATOM 417 CA GLY A 28 13.782 -0.826 -5.525 1.00 0.00 C ATOM 418 C GLY A 28 12.811 -0.194 -6.502 1.00 0.00 C ATOM 419 O GLY A 28 13.217 0.343 -7.533 1.00 0.00 O ATOM 0 H GLY A 28 12.958 -1.617 -3.769 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.750 -0.333 -5.609 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.933 -1.872 -5.793 1.00 0.00 H new ATOM 423 N LEU A 29 11.523 -0.260 -6.180 1.00 0.00 N ATOM 424 CA LEU A 29 10.491 0.308 -7.039 1.00 0.00 C ATOM 425 C LEU A 29 10.600 1.829 -7.089 1.00 0.00 C ATOM 426 O LEU A 29 10.866 2.409 -8.144 1.00 0.00 O ATOM 427 CB LEU A 29 9.103 -0.097 -6.538 1.00 0.00 C ATOM 428 CG LEU A 29 8.525 -1.382 -7.132 1.00 0.00 C ATOM 429 CD1 LEU A 29 7.483 -1.980 -6.198 1.00 0.00 C ATOM 430 CD2 LEU A 29 7.922 -1.111 -8.503 1.00 0.00 C ATOM 0 H LEU A 29 11.170 -0.701 -5.331 1.00 0.00 H new ATOM 0 HA LEU A 29 10.637 -0.082 -8.046 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.148 -0.209 -5.455 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.411 0.719 -6.746 1.00 0.00 H new ATOM 0 HG LEU A 29 9.335 -2.102 -7.249 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.083 -2.894 -6.637 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.945 -2.211 -5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.674 -1.264 -6.049 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.515 -2.036 -8.911 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.124 -0.374 -8.410 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.694 -0.728 -9.171 1.00 0.00 H new ATOM 442 N THR A 30 10.397 2.471 -5.943 1.00 0.00 N ATOM 443 CA THR A 30 10.475 3.923 -5.856 1.00 0.00 C ATOM 444 C THR A 30 11.923 4.396 -5.839 1.00 0.00 C ATOM 445 O THR A 30 12.236 5.489 -6.310 1.00 0.00 O ATOM 446 CB THR A 30 9.759 4.450 -4.598 1.00 0.00 C ATOM 447 OG1 THR A 30 10.534 4.148 -3.432 1.00 0.00 O ATOM 448 CG2 THR A 30 8.374 3.834 -4.466 1.00 0.00 C ATOM 0 H THR A 30 10.177 2.007 -5.062 1.00 0.00 H new ATOM 0 HA THR A 30 9.977 4.320 -6.741 1.00 0.00 H new ATOM 0 HB THR A 30 9.651 5.530 -4.693 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.076 3.462 -2.903 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.888 4.221 -3.571 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.777 4.089 -5.342 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.463 2.750 -4.391 1.00 0.00 H new ATOM 456 N GLY A 31 12.806 3.567 -5.291 1.00 0.00 N ATOM 457 CA GLY A 31 14.212 3.918 -5.223 1.00 0.00 C ATOM 458 C GLY A 31 14.534 4.793 -4.028 1.00 0.00 C ATOM 459 O GLY A 31 15.579 5.443 -3.988 1.00 0.00 O ATOM 0 H GLY A 31 12.572 2.658 -4.893 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.809 3.007 -5.174 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.498 4.438 -6.137 1.00 0.00 H new ATOM 463 N LEU A 32 13.634 4.811 -3.051 1.00 0.00 N ATOM 464 CA LEU A 32 13.825 5.615 -1.849 1.00 0.00 C ATOM 465 C LEU A 32 14.332 4.755 -0.695 1.00 0.00 C ATOM 466 O LEU A 32 14.589 3.564 -0.862 1.00 0.00 O ATOM 467 CB LEU A 32 12.515 6.299 -1.453 1.00 0.00 C ATOM 468 CG LEU A 32 11.943 7.289 -2.468 1.00 0.00 C ATOM 469 CD1 LEU A 32 10.487 7.596 -2.152 1.00 0.00 C ATOM 470 CD2 LEU A 32 12.767 8.568 -2.488 1.00 0.00 C ATOM 0 H LEU A 32 12.765 4.278 -3.068 1.00 0.00 H new ATOM 0 HA LEU A 32 14.573 6.377 -2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.768 5.528 -1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.673 6.825 -0.511 1.00 0.00 H new ATOM 0 HG LEU A 32 11.991 6.834 -3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.097 8.302 -2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.905 6.675 -2.189 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.415 8.031 -1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.345 9.261 -3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.751 9.026 -1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.795 8.334 -2.763 1.00 0.00 H new ATOM 482 N SER A 33 14.473 5.369 0.476 1.00 0.00 N ATOM 483 CA SER A 33 14.949 4.660 1.658 1.00 0.00 C ATOM 484 C SER A 33 13.949 4.781 2.804 1.00 0.00 C ATOM 485 O SER A 33 13.488 5.876 3.128 1.00 0.00 O ATOM 486 CB SER A 33 16.310 5.210 2.093 1.00 0.00 C ATOM 487 OG SER A 33 16.701 4.668 3.343 1.00 0.00 O ATOM 0 H SER A 33 14.264 6.355 0.631 1.00 0.00 H new ATOM 0 HA SER A 33 15.055 3.606 1.402 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.060 4.972 1.339 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.262 6.297 2.163 1.00 0.00 H new ATOM 0 HG SER A 33 17.574 5.033 3.599 1.00 0.00 H new ATOM 493 N ILE A 34 13.618 3.647 3.414 1.00 0.00 N ATOM 494 CA ILE A 34 12.675 3.625 4.523 1.00 0.00 C ATOM 495 C ILE A 34 13.333 4.097 5.815 1.00 0.00 C ATOM 496 O ILE A 34 12.737 4.839 6.594 1.00 0.00 O ATOM 497 CB ILE A 34 12.096 2.215 4.742 1.00 0.00 C ATOM 498 CG1 ILE A 34 11.490 1.681 3.442 1.00 0.00 C ATOM 499 CG2 ILE A 34 11.052 2.236 5.849 1.00 0.00 C ATOM 500 CD1 ILE A 34 11.450 0.171 3.370 1.00 0.00 C ATOM 0 H ILE A 34 13.990 2.732 3.158 1.00 0.00 H new ATOM 0 HA ILE A 34 11.865 4.306 4.261 1.00 0.00 H new ATOM 0 HB ILE A 34 12.905 1.550 5.045 1.00 0.00 H new ATOM 0 HG12 ILE A 34 10.477 2.069 3.337 1.00 0.00 H new ATOM 0 HG13 ILE A 34 12.066 2.062 2.599 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.652 1.232 5.991 1.00 0.00 H new ATOM 0 HG22 ILE A 34 11.512 2.579 6.776 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.243 2.913 5.573 1.00 0.00 H new ATOM 0 HD11 ILE A 34 11.008 -0.136 2.422 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.463 -0.224 3.443 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.849 -0.217 4.193 1.00 0.00 H new ATOM 512 N GLY A 35 14.571 3.663 6.035 1.00 0.00 N ATOM 513 CA GLY A 35 15.292 4.053 7.233 1.00 0.00 C ATOM 514 C GLY A 35 15.580 2.877 8.145 1.00 0.00 C ATOM 515 O GLY A 35 15.286 1.725 7.821 1.00 0.00 O ATOM 0 H GLY A 35 15.087 3.049 5.405 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.231 4.528 6.950 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.710 4.797 7.777 1.00 0.00 H new ATOM 519 N PRO A 36 16.168 3.162 9.316 1.00 0.00 N ATOM 520 CA PRO A 36 16.509 2.131 10.301 1.00 0.00 C ATOM 521 C PRO A 36 15.274 1.526 10.958 1.00 0.00 C ATOM 522 O PRO A 36 15.381 0.633 11.800 1.00 0.00 O ATOM 523 CB PRO A 36 17.346 2.891 11.334 1.00 0.00 C ATOM 524 CG PRO A 36 16.898 4.308 11.216 1.00 0.00 C ATOM 525 CD PRO A 36 16.546 4.511 9.768 1.00 0.00 C ATOM 0 HA PRO A 36 17.030 1.289 9.846 1.00 0.00 H new ATOM 0 HB2 PRO A 36 17.179 2.505 12.340 1.00 0.00 H new ATOM 0 HB3 PRO A 36 18.412 2.794 11.128 1.00 0.00 H new ATOM 0 HG2 PRO A 36 16.038 4.500 11.857 1.00 0.00 H new ATOM 0 HG3 PRO A 36 17.686 4.994 11.526 1.00 0.00 H new ATOM 0 HD2 PRO A 36 15.726 5.219 9.649 1.00 0.00 H new ATOM 0 HD3 PRO A 36 17.390 4.903 9.201 1.00 0.00 H new ATOM 533 N ASP A 37 14.102 2.016 10.569 1.00 0.00 N ATOM 534 CA ASP A 37 12.845 1.521 11.119 1.00 0.00 C ATOM 535 C ASP A 37 11.772 1.444 10.038 1.00 0.00 C ATOM 536 O ASP A 37 11.637 2.353 9.218 1.00 0.00 O ATOM 537 CB ASP A 37 12.374 2.422 12.261 1.00 0.00 C ATOM 538 CG ASP A 37 11.557 1.670 13.294 1.00 0.00 C ATOM 539 OD1 ASP A 37 10.427 1.253 12.965 1.00 0.00 O ATOM 540 OD2 ASP A 37 12.049 1.498 14.429 1.00 0.00 O ATOM 0 H ASP A 37 13.996 2.756 9.875 1.00 0.00 H new ATOM 0 HA ASP A 37 13.016 0.517 11.507 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.240 2.872 12.745 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.777 3.238 11.853 1.00 0.00 H new ATOM 545 N PHE A 38 11.011 0.355 10.042 1.00 0.00 N ATOM 546 CA PHE A 38 9.951 0.159 9.061 1.00 0.00 C ATOM 547 C PHE A 38 8.714 0.975 9.427 1.00 0.00 C ATOM 548 O PHE A 38 8.312 1.875 8.690 1.00 0.00 O ATOM 549 CB PHE A 38 9.585 -1.324 8.962 1.00 0.00 C ATOM 550 CG PHE A 38 8.871 -1.681 7.690 1.00 0.00 C ATOM 551 CD1 PHE A 38 9.488 -1.510 6.462 1.00 0.00 C ATOM 552 CD2 PHE A 38 7.583 -2.189 7.723 1.00 0.00 C ATOM 553 CE1 PHE A 38 8.833 -1.838 5.289 1.00 0.00 C ATOM 554 CE2 PHE A 38 6.922 -2.519 6.555 1.00 0.00 C ATOM 555 CZ PHE A 38 7.548 -2.345 5.337 1.00 0.00 C ATOM 0 H PHE A 38 11.109 -0.406 10.714 1.00 0.00 H new ATOM 0 HA PHE A 38 10.319 0.501 8.094 1.00 0.00 H new ATOM 0 HB2 PHE A 38 10.494 -1.920 9.039 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.955 -1.592 9.810 1.00 0.00 H new ATOM 0 HD1 PHE A 38 10.493 -1.116 6.420 1.00 0.00 H new ATOM 0 HD2 PHE A 38 7.089 -2.329 8.673 1.00 0.00 H new ATOM 0 HE1 PHE A 38 9.324 -1.698 4.337 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.917 -2.912 6.595 1.00 0.00 H new ATOM 0 HZ PHE A 38 7.035 -2.605 4.423 1.00 0.00 H new ATOM 565 N GLN A 39 8.116 0.653 10.569 1.00 0.00 N ATOM 566 CA GLN A 39 6.924 1.355 11.031 1.00 0.00 C ATOM 567 C GLN A 39 7.065 2.859 10.826 1.00 0.00 C ATOM 568 O GLN A 39 6.155 3.516 10.320 1.00 0.00 O ATOM 569 CB GLN A 39 6.669 1.051 12.509 1.00 0.00 C ATOM 570 CG GLN A 39 5.391 1.674 13.046 1.00 0.00 C ATOM 571 CD GLN A 39 5.604 3.073 13.585 1.00 0.00 C ATOM 572 OE1 GLN A 39 4.979 4.056 12.947 1.00 0.00 O flip ATOM 573 NE2 GLN A 39 6.325 3.271 14.565 1.00 0.00 N flip ATOM 0 H GLN A 39 8.437 -0.089 11.191 1.00 0.00 H new ATOM 0 HA GLN A 39 6.075 1.005 10.443 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.622 -0.029 12.646 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.514 1.411 13.096 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.645 1.705 12.252 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.988 1.042 13.837 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.787 2.487 15.025 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.460 4.219 14.916 1.00 0.00 H new ATOM 582 N LYS A 40 8.212 3.401 11.223 1.00 0.00 N ATOM 583 CA LYS A 40 8.473 4.828 11.083 1.00 0.00 C ATOM 584 C LYS A 40 8.706 5.198 9.622 1.00 0.00 C ATOM 585 O LYS A 40 7.905 5.909 9.015 1.00 0.00 O ATOM 586 CB LYS A 40 9.690 5.230 11.921 1.00 0.00 C ATOM 587 CG LYS A 40 9.588 4.813 13.378 1.00 0.00 C ATOM 588 CD LYS A 40 10.336 5.774 14.287 1.00 0.00 C ATOM 589 CE LYS A 40 9.602 7.099 14.421 1.00 0.00 C ATOM 590 NZ LYS A 40 8.528 7.037 15.450 1.00 0.00 N ATOM 0 H LYS A 40 8.976 2.872 11.645 1.00 0.00 H new ATOM 0 HA LYS A 40 7.597 5.368 11.442 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.584 4.784 11.486 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.816 6.311 11.869 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.540 4.773 13.673 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.992 3.808 13.499 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.459 5.324 15.272 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.336 5.949 13.889 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.312 7.883 14.685 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.168 7.373 13.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.052 7.960 15.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.836 6.307 15.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.945 6.801 16.373 1.00 0.00 H new ATOM 604 N GLY A 41 9.808 4.708 9.060 1.00 0.00 N ATOM 605 CA GLY A 41 10.124 4.997 7.673 1.00 0.00 C ATOM 606 C GLY A 41 8.885 5.109 6.806 1.00 0.00 C ATOM 607 O GLY A 41 8.847 5.903 5.865 1.00 0.00 O ATOM 0 H GLY A 41 10.486 4.117 9.540 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.687 5.929 7.619 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.769 4.211 7.279 1.00 0.00 H new ATOM 611 N LEU A 42 7.870 4.313 7.123 1.00 0.00 N ATOM 612 CA LEU A 42 6.623 4.325 6.365 1.00 0.00 C ATOM 613 C LEU A 42 5.589 5.225 7.033 1.00 0.00 C ATOM 614 O LEU A 42 4.822 5.915 6.361 1.00 0.00 O ATOM 615 CB LEU A 42 6.070 2.906 6.232 1.00 0.00 C ATOM 616 CG LEU A 42 7.060 1.844 5.748 1.00 0.00 C ATOM 617 CD1 LEU A 42 6.415 0.466 5.768 1.00 0.00 C ATOM 618 CD2 LEU A 42 7.561 2.179 4.351 1.00 0.00 C ATOM 0 H LEU A 42 7.885 3.651 7.899 1.00 0.00 H new ATOM 0 HA LEU A 42 6.835 4.720 5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.681 2.596 7.202 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.226 2.929 5.542 1.00 0.00 H new ATOM 0 HG LEU A 42 7.914 1.834 6.426 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.133 -0.277 5.421 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.105 0.224 6.785 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.544 0.462 5.113 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.264 1.413 4.023 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.718 2.217 3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.061 3.148 4.366 1.00 0.00 H new ATOM 630 N LYS A 43 5.574 5.215 8.362 1.00 0.00 N ATOM 631 CA LYS A 43 4.636 6.033 9.123 1.00 0.00 C ATOM 632 C LYS A 43 4.397 7.371 8.433 1.00 0.00 C ATOM 633 O LYS A 43 3.301 7.638 7.938 1.00 0.00 O ATOM 634 CB LYS A 43 5.164 6.264 10.541 1.00 0.00 C ATOM 635 CG LYS A 43 4.492 7.421 11.258 1.00 0.00 C ATOM 636 CD LYS A 43 5.029 7.591 12.670 1.00 0.00 C ATOM 637 CE LYS A 43 4.647 8.942 13.254 1.00 0.00 C ATOM 638 NZ LYS A 43 5.649 9.993 12.925 1.00 0.00 N ATOM 0 H LYS A 43 6.201 4.649 8.934 1.00 0.00 H new ATOM 0 HA LYS A 43 3.687 5.499 9.178 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.023 5.354 11.125 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.237 6.450 10.495 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.650 8.341 10.695 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.416 7.251 11.295 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.640 6.796 13.306 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.114 7.491 12.662 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.670 9.239 12.872 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.553 8.856 14.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.682 10.694 13.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.586 9.556 12.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.379 10.464 12.038 1.00 0.00 H new ATOM 652 N ASP A 44 5.427 8.208 8.403 1.00 0.00 N ATOM 653 CA ASP A 44 5.330 9.519 7.770 1.00 0.00 C ATOM 654 C ASP A 44 4.436 9.461 6.535 1.00 0.00 C ATOM 655 O ASP A 44 3.640 10.366 6.289 1.00 0.00 O ATOM 656 CB ASP A 44 6.720 10.028 7.386 1.00 0.00 C ATOM 657 CG ASP A 44 6.683 11.428 6.805 1.00 0.00 C ATOM 658 OD1 ASP A 44 5.644 11.799 6.219 1.00 0.00 O ATOM 659 OD2 ASP A 44 7.692 12.152 6.935 1.00 0.00 O ATOM 0 H ASP A 44 6.340 8.003 8.810 1.00 0.00 H new ATOM 0 HA ASP A 44 4.885 10.209 8.487 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.363 10.020 8.266 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.165 9.348 6.660 1.00 0.00 H new ATOM 664 N GLY A 45 4.575 8.390 5.760 1.00 0.00 N ATOM 665 CA GLY A 45 3.775 8.234 4.559 1.00 0.00 C ATOM 666 C GLY A 45 4.417 8.881 3.347 1.00 0.00 C ATOM 667 O GLY A 45 3.731 9.464 2.508 1.00 0.00 O ATOM 0 H GLY A 45 5.227 7.627 5.942 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.623 7.173 4.363 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.790 8.672 4.722 1.00 0.00 H new ATOM 671 N THR A 46 5.740 8.779 3.254 1.00 0.00 N ATOM 672 CA THR A 46 6.475 9.361 2.139 1.00 0.00 C ATOM 673 C THR A 46 6.642 8.354 1.006 1.00 0.00 C ATOM 674 O THR A 46 6.239 8.611 -0.129 1.00 0.00 O ATOM 675 CB THR A 46 7.865 9.856 2.580 1.00 0.00 C ATOM 676 OG1 THR A 46 8.582 8.795 3.221 1.00 0.00 O ATOM 677 CG2 THR A 46 7.743 11.039 3.528 1.00 0.00 C ATOM 0 H THR A 46 6.324 8.298 3.938 1.00 0.00 H new ATOM 0 HA THR A 46 5.891 10.210 1.784 1.00 0.00 H new ATOM 0 HB THR A 46 8.410 10.178 1.693 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.465 9.117 3.497 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.738 11.371 3.826 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.223 11.855 3.026 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.181 10.740 4.413 1.00 0.00 H new ATOM 685 N ILE A 47 7.236 7.209 1.322 1.00 0.00 N ATOM 686 CA ILE A 47 7.454 6.163 0.330 1.00 0.00 C ATOM 687 C ILE A 47 6.152 5.443 -0.005 1.00 0.00 C ATOM 688 O ILE A 47 5.740 5.392 -1.165 1.00 0.00 O ATOM 689 CB ILE A 47 8.488 5.131 0.817 1.00 0.00 C ATOM 690 CG1 ILE A 47 9.803 5.824 1.178 1.00 0.00 C ATOM 691 CG2 ILE A 47 8.718 4.068 -0.246 1.00 0.00 C ATOM 692 CD1 ILE A 47 10.576 5.123 2.272 1.00 0.00 C ATOM 0 H ILE A 47 7.575 6.982 2.257 1.00 0.00 H new ATOM 0 HA ILE A 47 7.836 6.653 -0.566 1.00 0.00 H new ATOM 0 HB ILE A 47 8.099 4.644 1.711 1.00 0.00 H new ATOM 0 HG12 ILE A 47 10.427 5.887 0.287 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.591 6.846 1.492 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.451 3.346 0.114 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.779 3.556 -0.458 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.089 4.538 -1.157 1.00 0.00 H new ATOM 0 HD11 ILE A 47 11.496 5.670 2.475 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.970 5.083 3.177 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.819 4.109 1.953 1.00 0.00 H new ATOM 704 N LEU A 48 5.509 4.890 1.016 1.00 0.00 N ATOM 705 CA LEU A 48 4.252 4.174 0.832 1.00 0.00 C ATOM 706 C LEU A 48 3.431 4.797 -0.294 1.00 0.00 C ATOM 707 O LEU A 48 2.746 4.094 -1.039 1.00 0.00 O ATOM 708 CB LEU A 48 3.443 4.178 2.130 1.00 0.00 C ATOM 709 CG LEU A 48 3.925 3.223 3.224 1.00 0.00 C ATOM 710 CD1 LEU A 48 3.124 3.427 4.500 1.00 0.00 C ATOM 711 CD2 LEU A 48 3.824 1.779 2.753 1.00 0.00 C ATOM 0 H LEU A 48 5.837 4.923 1.981 1.00 0.00 H new ATOM 0 HA LEU A 48 4.486 3.144 0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.445 5.191 2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.408 3.932 1.891 1.00 0.00 H new ATOM 0 HG LEU A 48 4.971 3.442 3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.480 2.740 5.267 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.247 4.453 4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.069 3.235 4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.171 1.113 3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.787 1.547 2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.442 1.642 1.866 1.00 0.00 H new ATOM 723 N CYS A 49 3.505 6.118 -0.411 1.00 0.00 N ATOM 724 CA CYS A 49 2.770 6.835 -1.447 1.00 0.00 C ATOM 725 C CYS A 49 3.395 6.602 -2.818 1.00 0.00 C ATOM 726 O CYS A 49 2.742 6.098 -3.732 1.00 0.00 O ATOM 727 CB CYS A 49 2.739 8.332 -1.135 1.00 0.00 C ATOM 728 SG CYS A 49 1.704 8.771 0.281 1.00 0.00 S ATOM 0 H CYS A 49 4.066 6.714 0.198 1.00 0.00 H new ATOM 0 HA CYS A 49 1.749 6.453 -1.464 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.757 8.674 -0.947 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.380 8.868 -2.014 1.00 0.00 H new ATOM 0 HG CYS A 49 2.453 9.224 1.242 1.00 0.00 H new ATOM 734 N THR A 50 4.664 6.973 -2.956 1.00 0.00 N ATOM 735 CA THR A 50 5.376 6.807 -4.216 1.00 0.00 C ATOM 736 C THR A 50 5.256 5.378 -4.732 1.00 0.00 C ATOM 737 O THR A 50 5.009 5.154 -5.918 1.00 0.00 O ATOM 738 CB THR A 50 6.868 7.164 -4.069 1.00 0.00 C ATOM 739 OG1 THR A 50 7.421 6.496 -2.930 1.00 0.00 O ATOM 740 CG2 THR A 50 7.053 8.666 -3.923 1.00 0.00 C ATOM 0 H THR A 50 5.220 7.391 -2.210 1.00 0.00 H new ATOM 0 HA THR A 50 4.915 7.488 -4.931 1.00 0.00 H new ATOM 0 HB THR A 50 7.388 6.837 -4.969 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.701 6.076 -2.416 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.114 8.894 -3.821 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.657 9.169 -4.805 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.520 9.014 -3.038 1.00 0.00 H new ATOM 748 N LEU A 51 5.431 4.413 -3.835 1.00 0.00 N ATOM 749 CA LEU A 51 5.341 3.004 -4.199 1.00 0.00 C ATOM 750 C LEU A 51 4.171 2.761 -5.147 1.00 0.00 C ATOM 751 O LEU A 51 4.333 2.151 -6.204 1.00 0.00 O ATOM 752 CB LEU A 51 5.184 2.142 -2.945 1.00 0.00 C ATOM 753 CG LEU A 51 4.710 0.706 -3.173 1.00 0.00 C ATOM 754 CD1 LEU A 51 5.751 -0.081 -3.955 1.00 0.00 C ATOM 755 CD2 LEU A 51 4.411 0.027 -1.845 1.00 0.00 C ATOM 0 H LEU A 51 5.636 4.581 -2.850 1.00 0.00 H new ATOM 0 HA LEU A 51 6.263 2.726 -4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.143 2.109 -2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.478 2.634 -2.276 1.00 0.00 H new ATOM 0 HG LEU A 51 3.791 0.734 -3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.397 -1.101 -4.108 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.916 0.395 -4.922 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.687 -0.102 -3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.075 -0.994 -2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.314 0.009 -1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.630 0.579 -1.322 1.00 0.00 H new ATOM 767 N MET A 52 2.994 3.243 -4.763 1.00 0.00 N ATOM 768 CA MET A 52 1.798 3.080 -5.581 1.00 0.00 C ATOM 769 C MET A 52 1.970 3.757 -6.936 1.00 0.00 C ATOM 770 O MET A 52 1.827 3.121 -7.980 1.00 0.00 O ATOM 771 CB MET A 52 0.579 3.659 -4.860 1.00 0.00 C ATOM 772 CG MET A 52 -0.746 3.142 -5.397 1.00 0.00 C ATOM 773 SD MET A 52 -0.970 1.377 -5.112 1.00 0.00 S ATOM 774 CE MET A 52 -1.675 0.867 -6.678 1.00 0.00 C ATOM 0 H MET A 52 2.843 3.750 -3.891 1.00 0.00 H new ATOM 0 HA MET A 52 1.642 2.014 -5.745 1.00 0.00 H new ATOM 0 HB2 MET A 52 0.649 3.422 -3.798 1.00 0.00 H new ATOM 0 HB3 MET A 52 0.598 4.745 -4.946 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.563 3.689 -4.925 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.803 3.343 -6.467 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.292 -0.118 -6.946 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.761 0.823 -6.591 1.00 0.00 H new ATOM 0 HE3 MET A 52 -1.402 1.585 -7.451 1.00 0.00 H new ATOM 784 N ASN A 53 2.277 5.050 -6.913 1.00 0.00 N ATOM 785 CA ASN A 53 2.469 5.813 -8.141 1.00 0.00 C ATOM 786 C ASN A 53 3.218 4.989 -9.183 1.00 0.00 C ATOM 787 O ASN A 53 2.907 5.039 -10.373 1.00 0.00 O ATOM 788 CB ASN A 53 3.233 7.106 -7.849 1.00 0.00 C ATOM 789 CG ASN A 53 2.309 8.269 -7.546 1.00 0.00 C ATOM 790 OD1 ASN A 53 2.443 8.835 -6.351 1.00 0.00 O flip ATOM 791 ND2 ASN A 53 1.485 8.654 -8.375 1.00 0.00 N flip ATOM 0 H ASN A 53 2.398 5.591 -6.057 1.00 0.00 H new ATOM 0 HA ASN A 53 1.486 6.063 -8.541 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.901 6.947 -7.003 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.858 7.356 -8.706 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.417 8.189 -9.280 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.870 9.438 -8.157 1.00 0.00 H new ATOM 798 N LYS A 54 4.209 4.229 -8.726 1.00 0.00 N ATOM 799 CA LYS A 54 5.003 3.391 -9.616 1.00 0.00 C ATOM 800 C LYS A 54 4.133 2.335 -10.291 1.00 0.00 C ATOM 801 O LYS A 54 4.234 2.112 -11.498 1.00 0.00 O ATOM 802 CB LYS A 54 6.134 2.714 -8.838 1.00 0.00 C ATOM 803 CG LYS A 54 6.992 3.684 -8.044 1.00 0.00 C ATOM 804 CD LYS A 54 7.779 4.609 -8.958 1.00 0.00 C ATOM 805 CE LYS A 54 8.098 5.929 -8.273 1.00 0.00 C ATOM 806 NZ LYS A 54 6.867 6.712 -7.977 1.00 0.00 N ATOM 0 H LYS A 54 4.481 4.177 -7.744 1.00 0.00 H new ATOM 0 HA LYS A 54 5.432 4.030 -10.388 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.706 1.979 -8.156 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.769 2.169 -9.537 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.358 4.276 -7.384 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.680 3.127 -7.409 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.706 4.121 -9.261 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.207 4.798 -9.866 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.637 5.736 -7.346 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.759 6.518 -8.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.117 7.711 -7.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.204 6.632 -8.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.418 6.341 -7.116 1.00 0.00 H new ATOM 820 N LEU A 55 3.278 1.690 -9.506 1.00 0.00 N ATOM 821 CA LEU A 55 2.389 0.659 -10.028 1.00 0.00 C ATOM 822 C LEU A 55 1.260 1.277 -10.847 1.00 0.00 C ATOM 823 O LEU A 55 1.009 0.871 -11.981 1.00 0.00 O ATOM 824 CB LEU A 55 1.808 -0.170 -8.881 1.00 0.00 C ATOM 825 CG LEU A 55 2.808 -0.658 -7.833 1.00 0.00 C ATOM 826 CD1 LEU A 55 2.090 -1.398 -6.714 1.00 0.00 C ATOM 827 CD2 LEU A 55 3.860 -1.551 -8.475 1.00 0.00 C ATOM 0 H LEU A 55 3.182 1.863 -8.505 1.00 0.00 H new ATOM 0 HA LEU A 55 2.971 0.008 -10.680 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.047 0.426 -8.378 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.304 -1.038 -9.306 1.00 0.00 H new ATOM 0 HG LEU A 55 3.309 0.210 -7.405 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.818 -1.738 -5.977 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.375 -0.729 -6.236 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.562 -2.258 -7.127 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.564 -1.889 -7.714 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.375 -2.415 -8.931 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.396 -0.990 -9.241 1.00 0.00 H new ATOM 839 N GLN A 56 0.583 2.262 -10.264 1.00 0.00 N ATOM 840 CA GLN A 56 -0.518 2.938 -10.940 1.00 0.00 C ATOM 841 C GLN A 56 -0.170 4.394 -11.225 1.00 0.00 C ATOM 842 O GLN A 56 0.181 5.161 -10.329 1.00 0.00 O ATOM 843 CB GLN A 56 -1.789 2.860 -10.092 1.00 0.00 C ATOM 844 CG GLN A 56 -2.878 3.821 -10.541 1.00 0.00 C ATOM 845 CD GLN A 56 -4.272 3.286 -10.276 1.00 0.00 C ATOM 846 OE1 GLN A 56 -5.070 3.114 -11.198 1.00 0.00 O ATOM 847 NE2 GLN A 56 -4.574 3.020 -9.011 1.00 0.00 N ATOM 0 H GLN A 56 0.778 2.609 -9.325 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.693 2.434 -11.890 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.177 1.842 -10.126 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.536 3.070 -9.053 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.754 4.773 -10.024 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.765 4.020 -11.607 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.883 3.177 -8.278 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.497 2.658 -8.772 1.00 0.00 H new ATOM 856 N PRO A 57 -0.267 4.787 -12.504 1.00 0.00 N ATOM 857 CA PRO A 57 0.032 6.155 -12.937 1.00 0.00 C ATOM 858 C PRO A 57 -1.006 7.159 -12.447 1.00 0.00 C ATOM 859 O PRO A 57 -0.946 8.341 -12.782 1.00 0.00 O ATOM 860 CB PRO A 57 0.003 6.058 -14.465 1.00 0.00 C ATOM 861 CG PRO A 57 -0.887 4.899 -14.754 1.00 0.00 C ATOM 862 CD PRO A 57 -0.679 3.926 -13.626 1.00 0.00 C ATOM 0 HA PRO A 57 0.981 6.510 -12.537 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.382 6.974 -14.913 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.002 5.901 -14.871 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.929 5.212 -14.812 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.637 4.444 -15.713 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.592 3.376 -13.396 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.086 3.188 -13.868 1.00 0.00 H new ATOM 870 N GLY A 58 -1.958 6.679 -11.652 1.00 0.00 N ATOM 871 CA GLY A 58 -2.995 7.548 -11.129 1.00 0.00 C ATOM 872 C GLY A 58 -3.536 7.069 -9.796 1.00 0.00 C ATOM 873 O GLY A 58 -4.730 6.806 -9.661 1.00 0.00 O ATOM 0 H GLY A 58 -2.029 5.704 -11.361 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.596 8.556 -11.015 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.812 7.608 -11.849 1.00 0.00 H new ATOM 877 N SER A 59 -2.653 6.953 -8.809 1.00 0.00 N ATOM 878 CA SER A 59 -3.048 6.497 -7.481 1.00 0.00 C ATOM 879 C SER A 59 -2.980 7.638 -6.472 1.00 0.00 C ATOM 880 O SER A 59 -4.000 8.067 -5.932 1.00 0.00 O ATOM 881 CB SER A 59 -2.149 5.345 -7.027 1.00 0.00 C ATOM 882 OG SER A 59 -0.807 5.556 -7.430 1.00 0.00 O ATOM 0 H SER A 59 -1.660 7.168 -8.904 1.00 0.00 H new ATOM 0 HA SER A 59 -4.078 6.145 -7.536 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.195 5.249 -5.942 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.515 4.407 -7.446 1.00 0.00 H new ATOM 0 HG SER A 59 -0.717 5.356 -8.385 1.00 0.00 H new ATOM 888 N VAL A 60 -1.769 8.128 -6.221 1.00 0.00 N ATOM 889 CA VAL A 60 -1.566 9.220 -5.277 1.00 0.00 C ATOM 890 C VAL A 60 -1.398 10.550 -6.004 1.00 0.00 C ATOM 891 O VAL A 60 -0.537 10.708 -6.869 1.00 0.00 O ATOM 892 CB VAL A 60 -0.332 8.973 -4.390 1.00 0.00 C ATOM 893 CG1 VAL A 60 -0.052 10.185 -3.514 1.00 0.00 C ATOM 894 CG2 VAL A 60 -0.527 7.726 -3.541 1.00 0.00 C ATOM 0 H VAL A 60 -0.914 7.785 -6.659 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.454 9.263 -4.647 1.00 0.00 H new ATOM 0 HB VAL A 60 0.531 8.814 -5.036 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.824 9.992 -2.894 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.135 11.054 -4.145 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.913 10.379 -2.875 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.355 7.567 -2.920 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.402 7.853 -2.903 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.674 6.863 -4.190 1.00 0.00 H new ATOM 904 N PRO A 61 -2.239 11.531 -5.645 1.00 0.00 N ATOM 905 CA PRO A 61 -2.203 12.865 -6.250 1.00 0.00 C ATOM 906 C PRO A 61 -0.960 13.651 -5.847 1.00 0.00 C ATOM 907 O PRO A 61 -0.242 14.176 -6.698 1.00 0.00 O ATOM 908 CB PRO A 61 -3.463 13.538 -5.700 1.00 0.00 C ATOM 909 CG PRO A 61 -3.740 12.833 -4.417 1.00 0.00 C ATOM 910 CD PRO A 61 -3.291 11.412 -4.621 1.00 0.00 C ATOM 0 HA PRO A 61 -2.169 12.818 -7.338 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.304 14.604 -5.539 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.298 13.441 -6.393 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.201 13.298 -3.592 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.801 12.876 -4.169 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.907 10.976 -3.699 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -4.110 10.776 -4.958 1.00 0.00 H new ATOM 918 N LYS A 62 -0.711 13.729 -4.544 1.00 0.00 N ATOM 919 CA LYS A 62 0.446 14.448 -4.028 1.00 0.00 C ATOM 920 C LYS A 62 0.868 13.897 -2.669 1.00 0.00 C ATOM 921 O LYS A 62 0.040 13.390 -1.912 1.00 0.00 O ATOM 922 CB LYS A 62 0.133 15.942 -3.909 1.00 0.00 C ATOM 923 CG LYS A 62 1.349 16.834 -4.090 1.00 0.00 C ATOM 924 CD LYS A 62 1.110 18.223 -3.522 1.00 0.00 C ATOM 925 CE LYS A 62 0.359 19.106 -4.507 1.00 0.00 C ATOM 926 NZ LYS A 62 0.548 20.553 -4.209 1.00 0.00 N ATOM 0 H LYS A 62 -1.296 13.302 -3.826 1.00 0.00 H new ATOM 0 HA LYS A 62 1.270 14.310 -4.728 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.617 16.208 -4.654 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.307 16.136 -2.931 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.210 16.382 -3.598 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.591 16.910 -5.150 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.542 18.145 -2.595 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.065 18.685 -3.273 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.703 18.896 -5.519 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.703 18.864 -4.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.021 21.122 -4.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.196 20.759 -3.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.559 20.790 -4.264 1.00 0.00 H new ATOM 940 N ILE A 63 2.157 14.004 -2.366 1.00 0.00 N ATOM 941 CA ILE A 63 2.686 13.518 -1.098 1.00 0.00 C ATOM 942 C ILE A 63 3.055 14.677 -0.177 1.00 0.00 C ATOM 943 O ILE A 63 3.729 15.621 -0.590 1.00 0.00 O ATOM 944 CB ILE A 63 3.925 12.629 -1.307 1.00 0.00 C ATOM 945 CG1 ILE A 63 3.559 11.395 -2.134 1.00 0.00 C ATOM 946 CG2 ILE A 63 4.517 12.220 0.033 1.00 0.00 C ATOM 947 CD1 ILE A 63 4.746 10.747 -2.811 1.00 0.00 C ATOM 0 H ILE A 63 2.854 14.423 -2.981 1.00 0.00 H new ATOM 0 HA ILE A 63 1.898 12.924 -0.635 1.00 0.00 H new ATOM 0 HB ILE A 63 4.676 13.200 -1.853 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.077 10.663 -1.486 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.829 11.679 -2.892 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.392 11.592 -0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.810 13.111 0.589 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.774 11.664 0.604 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.412 9.879 -3.379 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.216 11.463 -3.485 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.467 10.431 -2.057 1.00 0.00 H new ATOM 959 N ASN A 64 2.612 14.597 1.073 1.00 0.00 N ATOM 960 CA ASN A 64 2.897 15.638 2.053 1.00 0.00 C ATOM 961 C ASN A 64 4.250 15.404 2.718 1.00 0.00 C ATOM 962 O ASN A 64 4.380 14.554 3.600 1.00 0.00 O ATOM 963 CB ASN A 64 1.796 15.685 3.115 1.00 0.00 C ATOM 964 CG ASN A 64 0.493 16.242 2.573 1.00 0.00 C ATOM 965 OD1 ASN A 64 0.483 16.980 1.587 1.00 0.00 O ATOM 966 ND2 ASN A 64 -0.614 15.889 3.215 1.00 0.00 N ATOM 0 H ASN A 64 2.054 13.822 1.431 1.00 0.00 H new ATOM 0 HA ASN A 64 2.929 16.594 1.530 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.625 14.680 3.502 1.00 0.00 H new ATOM 0 HB3 ASN A 64 2.129 16.297 3.953 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.520 16.232 2.895 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.558 15.275 4.028 1.00 0.00 H new ATOM 973 N ARG A 65 5.254 16.161 2.290 1.00 0.00 N ATOM 974 CA ARG A 65 6.596 16.036 2.843 1.00 0.00 C ATOM 975 C ARG A 65 6.760 16.916 4.078 1.00 0.00 C ATOM 976 O ARG A 65 7.746 17.641 4.210 1.00 0.00 O ATOM 977 CB ARG A 65 7.641 16.414 1.792 1.00 0.00 C ATOM 978 CG ARG A 65 7.928 15.306 0.792 1.00 0.00 C ATOM 979 CD ARG A 65 9.059 14.407 1.266 1.00 0.00 C ATOM 980 NE ARG A 65 9.104 13.148 0.526 1.00 0.00 N ATOM 981 CZ ARG A 65 10.170 12.355 0.489 1.00 0.00 C ATOM 982 NH1 ARG A 65 11.272 12.689 1.145 1.00 0.00 N ATOM 983 NH2 ARG A 65 10.133 11.225 -0.207 1.00 0.00 N ATOM 0 H ARG A 65 5.163 16.868 1.561 1.00 0.00 H new ATOM 0 HA ARG A 65 6.745 14.997 3.137 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.299 17.298 1.254 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.568 16.686 2.296 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.028 14.710 0.639 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.189 15.743 -0.172 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.009 14.929 1.152 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.935 14.199 2.329 1.00 0.00 H new ATOM 0 HE ARG A 65 8.272 12.862 0.010 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.304 13.557 1.680 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.088 12.078 1.115 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.286 10.965 -0.713 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.951 10.616 -0.235 1.00 0.00 H new ATOM 997 N SER A 66 5.787 16.848 4.981 1.00 0.00 N ATOM 998 CA SER A 66 5.821 17.642 6.204 1.00 0.00 C ATOM 999 C SER A 66 5.946 16.744 7.431 1.00 0.00 C ATOM 1000 O SER A 66 5.583 15.570 7.393 1.00 0.00 O ATOM 1001 CB SER A 66 4.561 18.503 6.313 1.00 0.00 C ATOM 1002 OG SER A 66 4.489 19.439 5.251 1.00 0.00 O ATOM 0 H SER A 66 4.965 16.251 4.889 1.00 0.00 H new ATOM 0 HA SER A 66 6.694 18.293 6.162 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.678 17.864 6.299 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.558 19.030 7.267 1.00 0.00 H new ATOM 0 HG SER A 66 3.674 19.976 5.343 1.00 0.00 H new ATOM 1008 N MET A 67 6.463 17.308 8.518 1.00 0.00 N ATOM 1009 CA MET A 67 6.635 16.560 9.757 1.00 0.00 C ATOM 1010 C MET A 67 5.446 16.772 10.690 1.00 0.00 C ATOM 1011 O MET A 67 5.608 16.846 11.908 1.00 0.00 O ATOM 1012 CB MET A 67 7.929 16.982 10.457 1.00 0.00 C ATOM 1013 CG MET A 67 9.184 16.448 9.786 1.00 0.00 C ATOM 1014 SD MET A 67 9.809 17.552 8.505 1.00 0.00 S ATOM 1015 CE MET A 67 10.937 16.462 7.640 1.00 0.00 C ATOM 0 H MET A 67 6.770 18.280 8.565 1.00 0.00 H new ATOM 0 HA MET A 67 6.694 15.501 9.507 1.00 0.00 H new ATOM 0 HB2 MET A 67 7.978 18.070 10.487 1.00 0.00 H new ATOM 0 HB3 MET A 67 7.903 16.635 11.490 1.00 0.00 H new ATOM 0 HG2 MET A 67 9.958 16.296 10.539 1.00 0.00 H new ATOM 0 HG3 MET A 67 8.970 15.473 9.348 1.00 0.00 H new ATOM 0 HE1 MET A 67 11.404 17.002 6.816 1.00 0.00 H new ATOM 0 HE2 MET A 67 11.707 16.114 8.329 1.00 0.00 H new ATOM 0 HE3 MET A 67 10.387 15.606 7.248 1.00 0.00 H new ATOM 1025 N GLN A 68 4.254 16.869 10.110 1.00 0.00 N ATOM 1026 CA GLN A 68 3.041 17.074 10.890 1.00 0.00 C ATOM 1027 C GLN A 68 2.190 15.808 10.916 1.00 0.00 C ATOM 1028 O GLN A 68 2.299 14.958 10.033 1.00 0.00 O ATOM 1029 CB GLN A 68 2.229 18.236 10.316 1.00 0.00 C ATOM 1030 CG GLN A 68 2.987 19.554 10.291 1.00 0.00 C ATOM 1031 CD GLN A 68 3.468 19.975 11.666 1.00 0.00 C ATOM 1032 OE1 GLN A 68 4.668 20.135 11.893 1.00 0.00 O ATOM 1033 NE2 GLN A 68 2.533 20.158 12.591 1.00 0.00 N ATOM 0 H GLN A 68 4.103 16.809 9.103 1.00 0.00 H new ATOM 0 HA GLN A 68 3.334 17.315 11.912 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.919 17.985 9.302 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.321 18.360 10.906 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.843 19.464 9.622 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.343 20.332 9.881 1.00 0.00 H new ATOM 0 HE21 GLN A 68 1.550 20.014 12.358 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.797 20.443 13.534 1.00 0.00 H new ATOM 1042 N ASN A 69 1.345 15.690 11.934 1.00 0.00 N ATOM 1043 CA ASN A 69 0.476 14.527 12.075 1.00 0.00 C ATOM 1044 C ASN A 69 -0.511 14.440 10.916 1.00 0.00 C ATOM 1045 O ASN A 69 -0.369 13.599 10.028 1.00 0.00 O ATOM 1046 CB ASN A 69 -0.284 14.590 13.402 1.00 0.00 C ATOM 1047 CG ASN A 69 0.630 14.420 14.600 1.00 0.00 C ATOM 1048 OD1 ASN A 69 1.812 14.108 14.454 1.00 0.00 O ATOM 1049 ND2 ASN A 69 0.084 14.625 15.794 1.00 0.00 N ATOM 0 H ASN A 69 1.243 16.385 12.674 1.00 0.00 H new ATOM 0 HA ASN A 69 1.102 13.635 12.063 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.802 15.546 13.476 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.048 13.812 13.418 1.00 0.00 H new ATOM 0 HD21 ASN A 69 0.649 14.525 16.637 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.900 14.882 15.867 1.00 0.00 H new ATOM 1056 N TRP A 70 -1.509 15.316 10.929 1.00 0.00 N ATOM 1057 CA TRP A 70 -2.520 15.339 9.878 1.00 0.00 C ATOM 1058 C TRP A 70 -1.892 15.073 8.514 1.00 0.00 C ATOM 1059 O TRP A 70 -2.364 14.224 7.757 1.00 0.00 O ATOM 1060 CB TRP A 70 -3.242 16.687 9.865 1.00 0.00 C ATOM 1061 CG TRP A 70 -2.332 17.851 10.117 1.00 0.00 C ATOM 1062 CD1 TRP A 70 -1.530 18.477 9.205 1.00 0.00 C ATOM 1063 CD2 TRP A 70 -2.129 18.526 11.363 1.00 0.00 C ATOM 1064 NE1 TRP A 70 -0.841 19.501 9.808 1.00 0.00 N ATOM 1065 CE2 TRP A 70 -1.191 19.553 11.132 1.00 0.00 C ATOM 1066 CE3 TRP A 70 -2.647 18.367 12.650 1.00 0.00 C ATOM 1067 CZ2 TRP A 70 -0.763 20.411 12.141 1.00 0.00 C ATOM 1068 CZ3 TRP A 70 -2.222 19.219 13.651 1.00 0.00 C ATOM 1069 CH2 TRP A 70 -1.288 20.231 13.393 1.00 0.00 C ATOM 0 H TRP A 70 -1.640 16.020 11.656 1.00 0.00 H new ATOM 0 HA TRP A 70 -3.242 14.550 10.086 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.731 16.820 8.900 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -4.027 16.678 10.622 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -1.450 18.206 8.163 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -0.177 20.122 9.346 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.368 17.591 12.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -0.043 21.191 11.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -2.617 19.103 14.650 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -0.976 20.881 14.197 1.00 0.00 H new ATOM 1080 N HIS A 71 -0.825 15.803 8.205 1.00 0.00 N ATOM 1081 CA HIS A 71 -0.133 15.645 6.932 1.00 0.00 C ATOM 1082 C HIS A 71 0.297 14.196 6.723 1.00 0.00 C ATOM 1083 O HIS A 71 -0.042 13.577 5.716 1.00 0.00 O ATOM 1084 CB HIS A 71 1.087 16.565 6.872 1.00 0.00 C ATOM 1085 CG HIS A 71 0.767 17.955 6.413 1.00 0.00 C ATOM 1086 ND1 HIS A 71 0.615 19.016 7.280 1.00 0.00 N ATOM 1087 CD2 HIS A 71 0.573 18.455 5.170 1.00 0.00 C ATOM 1088 CE1 HIS A 71 0.339 20.109 6.590 1.00 0.00 C ATOM 1089 NE2 HIS A 71 0.308 19.795 5.307 1.00 0.00 N ATOM 0 H HIS A 71 -0.421 16.510 8.819 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.824 15.919 6.135 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.544 16.614 7.860 1.00 0.00 H new ATOM 0 HB3 HIS A 71 1.827 16.130 6.200 1.00 0.00 H new ATOM 0 HD2 HIS A 71 0.618 17.903 4.243 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.168 21.092 7.004 1.00 0.00 H new ATOM 0 HE2 HIS A 71 0.118 20.443 4.542 1.00 0.00 H new ATOM 1098 N GLN A 72 1.047 13.664 7.683 1.00 0.00 N ATOM 1099 CA GLN A 72 1.525 12.288 7.603 1.00 0.00 C ATOM 1100 C GLN A 72 0.368 11.324 7.365 1.00 0.00 C ATOM 1101 O GLN A 72 0.489 10.373 6.591 1.00 0.00 O ATOM 1102 CB GLN A 72 2.265 11.908 8.887 1.00 0.00 C ATOM 1103 CG GLN A 72 3.677 12.466 8.963 1.00 0.00 C ATOM 1104 CD GLN A 72 4.425 11.995 10.196 1.00 0.00 C ATOM 1105 OE1 GLN A 72 4.363 10.822 10.563 1.00 0.00 O ATOM 1106 NE2 GLN A 72 5.139 12.911 10.841 1.00 0.00 N ATOM 0 H GLN A 72 1.336 14.164 8.524 1.00 0.00 H new ATOM 0 HA GLN A 72 2.213 12.217 6.761 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.695 12.266 9.744 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.308 10.822 8.964 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.230 12.169 8.072 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.634 13.555 8.963 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.162 13.872 10.501 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.664 12.653 11.676 1.00 0.00 H new ATOM 1115 N LEU A 73 -0.752 11.573 8.034 1.00 0.00 N ATOM 1116 CA LEU A 73 -1.932 10.726 7.895 1.00 0.00 C ATOM 1117 C LEU A 73 -2.435 10.726 6.455 1.00 0.00 C ATOM 1118 O LEU A 73 -2.593 9.670 5.844 1.00 0.00 O ATOM 1119 CB LEU A 73 -3.040 11.203 8.835 1.00 0.00 C ATOM 1120 CG LEU A 73 -3.046 10.584 10.233 1.00 0.00 C ATOM 1121 CD1 LEU A 73 -3.170 9.070 10.146 1.00 0.00 C ATOM 1122 CD2 LEU A 73 -1.789 10.974 10.996 1.00 0.00 C ATOM 0 H LEU A 73 -0.868 12.355 8.679 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.652 9.707 8.162 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.960 12.285 8.939 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.002 10.998 8.364 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.910 10.969 10.775 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.173 8.647 11.150 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.100 8.810 9.640 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.327 8.668 9.585 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.812 10.524 11.989 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.911 10.619 10.456 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.743 12.059 11.090 1.00 0.00 H new ATOM 1134 N GLU A 74 -2.683 11.917 5.921 1.00 0.00 N ATOM 1135 CA GLU A 74 -3.168 12.054 4.552 1.00 0.00 C ATOM 1136 C GLU A 74 -2.456 11.076 3.622 1.00 0.00 C ATOM 1137 O GLU A 74 -3.089 10.399 2.814 1.00 0.00 O ATOM 1138 CB GLU A 74 -2.964 13.487 4.056 1.00 0.00 C ATOM 1139 CG GLU A 74 -3.671 13.783 2.744 1.00 0.00 C ATOM 1140 CD GLU A 74 -3.308 15.143 2.179 1.00 0.00 C ATOM 1141 OE1 GLU A 74 -3.433 16.144 2.916 1.00 0.00 O ATOM 1142 OE2 GLU A 74 -2.898 15.207 1.001 1.00 0.00 O ATOM 0 H GLU A 74 -2.556 12.801 6.414 1.00 0.00 H new ATOM 0 HA GLU A 74 -4.233 11.824 4.547 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.323 14.180 4.817 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.897 13.672 3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.417 13.012 2.017 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.749 13.733 2.897 1.00 0.00 H new ATOM 1149 N ASN A 75 -1.134 11.010 3.744 1.00 0.00 N ATOM 1150 CA ASN A 75 -0.334 10.116 2.915 1.00 0.00 C ATOM 1151 C ASN A 75 -0.950 8.720 2.868 1.00 0.00 C ATOM 1152 O ASN A 75 -1.297 8.219 1.797 1.00 0.00 O ATOM 1153 CB ASN A 75 1.098 10.036 3.448 1.00 0.00 C ATOM 1154 CG ASN A 75 1.894 11.293 3.156 1.00 0.00 C ATOM 1155 OD1 ASN A 75 1.493 12.119 2.337 1.00 0.00 O ATOM 1156 ND2 ASN A 75 3.030 11.442 3.827 1.00 0.00 N ATOM 0 H ASN A 75 -0.595 11.565 4.409 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.315 10.520 1.903 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.073 9.867 4.524 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.602 9.178 3.002 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.609 12.267 3.673 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.324 10.731 4.497 1.00 0.00 H new ATOM 1163 N LEU A 76 -1.083 8.099 4.034 1.00 0.00 N ATOM 1164 CA LEU A 76 -1.657 6.761 4.128 1.00 0.00 C ATOM 1165 C LEU A 76 -3.099 6.752 3.629 1.00 0.00 C ATOM 1166 O LEU A 76 -3.468 5.940 2.781 1.00 0.00 O ATOM 1167 CB LEU A 76 -1.602 6.261 5.572 1.00 0.00 C ATOM 1168 CG LEU A 76 -0.208 6.152 6.192 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.307 5.816 7.672 1.00 0.00 C ATOM 1170 CD2 LEU A 76 0.622 5.108 5.459 1.00 0.00 C ATOM 0 H LEU A 76 -0.801 8.500 4.928 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.069 6.095 3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.201 6.930 6.190 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.074 5.279 5.614 1.00 0.00 H new ATOM 0 HG LEU A 76 0.290 7.117 6.093 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.694 5.742 8.096 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.862 6.600 8.187 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.824 4.864 7.795 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.611 5.044 5.914 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.129 4.138 5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.722 5.393 4.412 1.00 0.00 H new ATOM 1182 N SER A 77 -3.909 7.663 4.160 1.00 0.00 N ATOM 1183 CA SER A 77 -5.311 7.758 3.770 1.00 0.00 C ATOM 1184 C SER A 77 -5.455 7.739 2.252 1.00 0.00 C ATOM 1185 O SER A 77 -6.376 7.128 1.712 1.00 0.00 O ATOM 1186 CB SER A 77 -5.933 9.036 4.337 1.00 0.00 C ATOM 1187 OG SER A 77 -6.426 8.825 5.649 1.00 0.00 O ATOM 0 H SER A 77 -3.619 8.345 4.861 1.00 0.00 H new ATOM 0 HA SER A 77 -5.836 6.894 4.178 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.189 9.832 4.349 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.744 9.368 3.689 1.00 0.00 H new ATOM 0 HG SER A 77 -6.817 9.657 5.989 1.00 0.00 H new ATOM 1193 N ASN A 78 -4.538 8.415 1.568 1.00 0.00 N ATOM 1194 CA ASN A 78 -4.561 8.478 0.111 1.00 0.00 C ATOM 1195 C ASN A 78 -4.139 7.144 -0.498 1.00 0.00 C ATOM 1196 O ASN A 78 -4.837 6.587 -1.345 1.00 0.00 O ATOM 1197 CB ASN A 78 -3.640 9.593 -0.388 1.00 0.00 C ATOM 1198 CG ASN A 78 -4.227 10.972 -0.158 1.00 0.00 C ATOM 1199 OD1 ASN A 78 -5.435 11.123 0.026 1.00 0.00 O ATOM 1200 ND2 ASN A 78 -3.371 11.988 -0.170 1.00 0.00 N ATOM 0 H ASN A 78 -3.769 8.927 2.000 1.00 0.00 H new ATOM 0 HA ASN A 78 -5.583 8.693 -0.202 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.678 9.521 0.120 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.450 9.455 -1.452 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -3.707 12.940 -0.023 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -2.378 11.816 -0.326 1.00 0.00 H new ATOM 1207 N PHE A 79 -2.991 6.636 -0.059 1.00 0.00 N ATOM 1208 CA PHE A 79 -2.476 5.367 -0.560 1.00 0.00 C ATOM 1209 C PHE A 79 -3.528 4.268 -0.444 1.00 0.00 C ATOM 1210 O PHE A 79 -3.786 3.539 -1.402 1.00 0.00 O ATOM 1211 CB PHE A 79 -1.215 4.966 0.209 1.00 0.00 C ATOM 1212 CG PHE A 79 -0.715 3.593 -0.135 1.00 0.00 C ATOM 1213 CD1 PHE A 79 -0.473 3.239 -1.452 1.00 0.00 C ATOM 1214 CD2 PHE A 79 -0.488 2.655 0.860 1.00 0.00 C ATOM 1215 CE1 PHE A 79 -0.014 1.975 -1.771 1.00 0.00 C ATOM 1216 CE2 PHE A 79 -0.028 1.390 0.547 1.00 0.00 C ATOM 1217 CZ PHE A 79 0.210 1.049 -0.771 1.00 0.00 C ATOM 0 H PHE A 79 -2.401 7.084 0.642 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.226 5.495 -1.613 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.428 5.692 0.005 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.421 5.012 1.278 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -0.645 3.959 -2.239 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.673 2.916 1.892 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.170 1.711 -2.802 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.145 0.668 1.332 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.570 0.061 -1.018 1.00 0.00 H new ATOM 1227 N ILE A 80 -4.130 4.156 0.734 1.00 0.00 N ATOM 1228 CA ILE A 80 -5.153 3.148 0.976 1.00 0.00 C ATOM 1229 C ILE A 80 -6.208 3.160 -0.125 1.00 0.00 C ATOM 1230 O ILE A 80 -6.355 2.191 -0.871 1.00 0.00 O ATOM 1231 CB ILE A 80 -5.846 3.362 2.336 1.00 0.00 C ATOM 1232 CG1 ILE A 80 -4.822 3.286 3.471 1.00 0.00 C ATOM 1233 CG2 ILE A 80 -6.945 2.330 2.537 1.00 0.00 C ATOM 1234 CD1 ILE A 80 -5.254 4.014 4.724 1.00 0.00 C ATOM 0 H ILE A 80 -3.927 4.752 1.537 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.648 2.182 0.983 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.299 4.353 2.346 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.638 2.239 3.714 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.877 3.704 3.125 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.426 2.493 3.502 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.685 2.427 1.742 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.514 1.329 2.512 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.480 3.918 5.486 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.410 5.068 4.497 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.183 3.581 5.094 1.00 0.00 H new ATOM 1246 N LYS A 81 -6.940 4.265 -0.224 1.00 0.00 N ATOM 1247 CA LYS A 81 -7.979 4.406 -1.236 1.00 0.00 C ATOM 1248 C LYS A 81 -7.478 3.941 -2.600 1.00 0.00 C ATOM 1249 O LYS A 81 -8.233 3.372 -3.388 1.00 0.00 O ATOM 1250 CB LYS A 81 -8.443 5.862 -1.320 1.00 0.00 C ATOM 1251 CG LYS A 81 -9.102 6.366 -0.048 1.00 0.00 C ATOM 1252 CD LYS A 81 -10.448 5.698 0.184 1.00 0.00 C ATOM 1253 CE LYS A 81 -11.133 6.244 1.428 1.00 0.00 C ATOM 1254 NZ LYS A 81 -10.607 5.613 2.672 1.00 0.00 N ATOM 0 H LYS A 81 -6.832 5.076 0.385 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.822 3.778 -0.946 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.586 6.495 -1.550 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.145 5.963 -2.147 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.448 6.174 0.803 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.236 7.446 -0.110 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.088 5.855 -0.684 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.309 4.622 0.286 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -10.988 7.323 1.479 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.207 6.069 1.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -11.098 6.011 3.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.768 4.586 2.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -9.587 5.801 2.752 1.00 0.00 H new ATOM 1268 N ALA A 82 -6.200 4.186 -2.870 1.00 0.00 N ATOM 1269 CA ALA A 82 -5.598 3.790 -4.137 1.00 0.00 C ATOM 1270 C ALA A 82 -5.538 2.271 -4.264 1.00 0.00 C ATOM 1271 O ALA A 82 -5.688 1.725 -5.357 1.00 0.00 O ATOM 1272 CB ALA A 82 -4.205 4.387 -4.269 1.00 0.00 C ATOM 0 H ALA A 82 -5.562 4.657 -2.228 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.223 4.173 -4.944 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.767 4.083 -5.220 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.270 5.474 -4.231 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.578 4.032 -3.451 1.00 0.00 H new ATOM 1278 N MET A 83 -5.318 1.596 -3.142 1.00 0.00 N ATOM 1279 CA MET A 83 -5.239 0.140 -3.130 1.00 0.00 C ATOM 1280 C MET A 83 -6.566 -0.480 -3.557 1.00 0.00 C ATOM 1281 O MET A 83 -6.594 -1.422 -4.350 1.00 0.00 O ATOM 1282 CB MET A 83 -4.855 -0.359 -1.735 1.00 0.00 C ATOM 1283 CG MET A 83 -3.379 -0.188 -1.413 1.00 0.00 C ATOM 1284 SD MET A 83 -2.814 -1.319 -0.128 1.00 0.00 S ATOM 1285 CE MET A 83 -3.637 -0.638 1.310 1.00 0.00 C ATOM 0 H MET A 83 -5.191 2.033 -2.229 1.00 0.00 H new ATOM 0 HA MET A 83 -4.471 -0.164 -3.841 1.00 0.00 H new ATOM 0 HB2 MET A 83 -5.445 0.177 -0.991 1.00 0.00 H new ATOM 0 HB3 MET A 83 -5.117 -1.414 -1.650 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.793 -0.350 -2.317 1.00 0.00 H new ATOM 0 HG3 MET A 83 -3.197 0.838 -1.094 1.00 0.00 H new ATOM 0 HE1 MET A 83 -3.517 -1.318 2.154 1.00 0.00 H new ATOM 0 HE2 MET A 83 -3.198 0.328 1.557 1.00 0.00 H new ATOM 0 HE3 MET A 83 -4.698 -0.510 1.095 1.00 0.00 H new ATOM 1295 N VAL A 84 -7.661 0.054 -3.027 1.00 0.00 N ATOM 1296 CA VAL A 84 -8.991 -0.447 -3.356 1.00 0.00 C ATOM 1297 C VAL A 84 -9.217 -0.461 -4.863 1.00 0.00 C ATOM 1298 O VAL A 84 -9.758 -1.421 -5.411 1.00 0.00 O ATOM 1299 CB VAL A 84 -10.090 0.403 -2.691 1.00 0.00 C ATOM 1300 CG1 VAL A 84 -11.469 -0.069 -3.130 1.00 0.00 C ATOM 1301 CG2 VAL A 84 -9.958 0.355 -1.177 1.00 0.00 C ATOM 0 H VAL A 84 -7.654 0.833 -2.368 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.048 -1.466 -2.974 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.968 1.438 -3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.233 0.543 -2.650 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.557 0.023 -4.213 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.606 -1.111 -2.842 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.743 0.961 -0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.053 -0.676 -0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.983 0.745 -0.884 1.00 0.00 H new ATOM 1311 N SER A 85 -8.797 0.610 -5.529 1.00 0.00 N ATOM 1312 CA SER A 85 -8.955 0.722 -6.974 1.00 0.00 C ATOM 1313 C SER A 85 -8.057 -0.276 -7.699 1.00 0.00 C ATOM 1314 O SER A 85 -8.449 -0.863 -8.707 1.00 0.00 O ATOM 1315 CB SER A 85 -8.632 2.145 -7.435 1.00 0.00 C ATOM 1316 OG SER A 85 -8.485 2.203 -8.843 1.00 0.00 O ATOM 0 H SER A 85 -8.345 1.412 -5.091 1.00 0.00 H new ATOM 0 HA SER A 85 -9.992 0.495 -7.219 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.427 2.822 -7.121 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.714 2.487 -6.956 1.00 0.00 H new ATOM 0 HG SER A 85 -8.281 3.123 -9.113 1.00 0.00 H new ATOM 1322 N TYR A 86 -6.849 -0.461 -7.177 1.00 0.00 N ATOM 1323 CA TYR A 86 -5.893 -1.386 -7.774 1.00 0.00 C ATOM 1324 C TYR A 86 -6.528 -2.754 -8.005 1.00 0.00 C ATOM 1325 O TYR A 86 -6.440 -3.316 -9.096 1.00 0.00 O ATOM 1326 CB TYR A 86 -4.661 -1.528 -6.880 1.00 0.00 C ATOM 1327 CG TYR A 86 -3.407 -1.911 -7.631 1.00 0.00 C ATOM 1328 CD1 TYR A 86 -2.942 -1.136 -8.686 1.00 0.00 C ATOM 1329 CD2 TYR A 86 -2.686 -3.049 -7.288 1.00 0.00 C ATOM 1330 CE1 TYR A 86 -1.796 -1.481 -9.377 1.00 0.00 C ATOM 1331 CE2 TYR A 86 -1.540 -3.401 -7.972 1.00 0.00 C ATOM 1332 CZ TYR A 86 -1.099 -2.614 -9.016 1.00 0.00 C ATOM 1333 OH TYR A 86 0.043 -2.964 -9.700 1.00 0.00 O ATOM 0 H TYR A 86 -6.509 0.017 -6.342 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.589 -0.980 -8.739 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.489 -0.585 -6.361 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -4.861 -2.280 -6.117 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.486 -0.248 -8.971 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.028 -3.668 -6.472 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -1.449 -0.867 -10.195 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -0.991 -4.288 -7.691 1.00 0.00 H new ATOM 0 HH TYR A 86 0.766 -3.140 -9.062 1.00 0.00 H new ATOM 1343 N GLY A 87 -7.172 -3.283 -6.969 1.00 0.00 N ATOM 1344 CA GLY A 87 -7.814 -4.579 -7.077 1.00 0.00 C ATOM 1345 C GLY A 87 -7.571 -5.451 -5.861 1.00 0.00 C ATOM 1346 O GLY A 87 -7.408 -6.665 -5.981 1.00 0.00 O ATOM 0 H GLY A 87 -7.260 -2.836 -6.056 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.887 -4.439 -7.211 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.445 -5.090 -7.966 1.00 0.00 H new ATOM 1350 N MET A 88 -7.545 -4.830 -4.686 1.00 0.00 N ATOM 1351 CA MET A 88 -7.319 -5.557 -3.442 1.00 0.00 C ATOM 1352 C MET A 88 -8.642 -5.899 -2.764 1.00 0.00 C ATOM 1353 O MET A 88 -9.713 -5.599 -3.288 1.00 0.00 O ATOM 1354 CB MET A 88 -6.444 -4.732 -2.495 1.00 0.00 C ATOM 1355 CG MET A 88 -5.099 -4.349 -3.089 1.00 0.00 C ATOM 1356 SD MET A 88 -3.851 -5.631 -2.867 1.00 0.00 S ATOM 1357 CE MET A 88 -3.420 -5.388 -1.145 1.00 0.00 C ATOM 0 H MET A 88 -7.678 -3.825 -4.569 1.00 0.00 H new ATOM 0 HA MET A 88 -6.804 -6.487 -3.682 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.980 -3.825 -2.216 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.279 -5.299 -1.579 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.221 -4.146 -4.153 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.752 -3.425 -2.626 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.335 -5.360 -1.042 1.00 0.00 H new ATOM 0 HE2 MET A 88 -3.842 -4.447 -0.794 1.00 0.00 H new ATOM 0 HE3 MET A 88 -3.820 -6.209 -0.550 1.00 0.00 H new ATOM 1367 N ASN A 89 -8.558 -6.528 -1.597 1.00 0.00 N ATOM 1368 CA ASN A 89 -9.749 -6.911 -0.847 1.00 0.00 C ATOM 1369 C ASN A 89 -10.059 -5.888 0.242 1.00 0.00 C ATOM 1370 O ASN A 89 -9.202 -5.108 0.657 1.00 0.00 O ATOM 1371 CB ASN A 89 -9.562 -8.296 -0.224 1.00 0.00 C ATOM 1372 CG ASN A 89 -10.011 -9.411 -1.148 1.00 0.00 C ATOM 1373 OD1 ASN A 89 -9.633 -9.452 -2.318 1.00 0.00 O ATOM 1374 ND2 ASN A 89 -10.822 -10.322 -0.623 1.00 0.00 N ATOM 0 H ASN A 89 -7.678 -6.784 -1.150 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.590 -6.943 -1.540 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.511 -8.439 0.029 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -10.125 -8.351 0.708 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -11.158 -11.097 -1.196 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.109 -10.247 0.353 1.00 0.00 H new ATOM 1381 N PRO A 90 -11.314 -5.891 0.715 1.00 0.00 N ATOM 1382 CA PRO A 90 -11.767 -4.970 1.763 1.00 0.00 C ATOM 1383 C PRO A 90 -11.148 -5.288 3.121 1.00 0.00 C ATOM 1384 O PRO A 90 -11.309 -4.532 4.079 1.00 0.00 O ATOM 1385 CB PRO A 90 -13.280 -5.191 1.799 1.00 0.00 C ATOM 1386 CG PRO A 90 -13.473 -6.574 1.282 1.00 0.00 C ATOM 1387 CD PRO A 90 -12.387 -6.793 0.266 1.00 0.00 C ATOM 0 HA PRO A 90 -11.478 -3.940 1.554 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -13.671 -5.089 2.811 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -13.802 -4.461 1.180 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -13.406 -7.305 2.088 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -14.458 -6.687 0.830 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.057 -7.832 0.248 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -12.723 -6.547 -0.741 1.00 0.00 H new ATOM 1395 N VAL A 91 -10.440 -6.411 3.195 1.00 0.00 N ATOM 1396 CA VAL A 91 -9.797 -6.829 4.435 1.00 0.00 C ATOM 1397 C VAL A 91 -8.279 -6.773 4.312 1.00 0.00 C ATOM 1398 O VAL A 91 -7.566 -6.717 5.314 1.00 0.00 O ATOM 1399 CB VAL A 91 -10.217 -8.255 4.833 1.00 0.00 C ATOM 1400 CG1 VAL A 91 -10.314 -9.147 3.604 1.00 0.00 C ATOM 1401 CG2 VAL A 91 -9.243 -8.834 5.847 1.00 0.00 C ATOM 0 H VAL A 91 -10.297 -7.047 2.411 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.122 -6.134 5.210 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.203 -8.208 5.296 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.612 -10.151 3.906 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.055 -8.740 2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.344 -9.190 3.108 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.556 -9.843 6.117 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.244 -8.868 5.413 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.231 -8.207 6.739 1.00 0.00 H new ATOM 1411 N ASP A 92 -7.790 -6.790 3.076 1.00 0.00 N ATOM 1412 CA ASP A 92 -6.355 -6.741 2.821 1.00 0.00 C ATOM 1413 C ASP A 92 -5.841 -5.306 2.885 1.00 0.00 C ATOM 1414 O ASP A 92 -4.748 -5.005 2.404 1.00 0.00 O ATOM 1415 CB ASP A 92 -6.038 -7.349 1.454 1.00 0.00 C ATOM 1416 CG ASP A 92 -6.160 -8.860 1.450 1.00 0.00 C ATOM 1417 OD1 ASP A 92 -5.982 -9.472 2.523 1.00 0.00 O ATOM 1418 OD2 ASP A 92 -6.434 -9.431 0.373 1.00 0.00 O ATOM 0 H ASP A 92 -8.366 -6.837 2.236 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.853 -7.323 3.594 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.714 -6.931 0.708 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.026 -7.068 1.161 1.00 0.00 H new ATOM 1423 N LEU A 93 -6.636 -4.425 3.482 1.00 0.00 N ATOM 1424 CA LEU A 93 -6.262 -3.020 3.608 1.00 0.00 C ATOM 1425 C LEU A 93 -5.804 -2.705 5.029 1.00 0.00 C ATOM 1426 O LEU A 93 -5.837 -3.566 5.908 1.00 0.00 O ATOM 1427 CB LEU A 93 -7.440 -2.122 3.227 1.00 0.00 C ATOM 1428 CG LEU A 93 -8.006 -2.318 1.821 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -9.265 -1.485 1.632 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -6.964 -1.959 0.772 1.00 0.00 C ATOM 0 H LEU A 93 -7.543 -4.658 3.886 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.433 -2.827 2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.243 -2.285 3.946 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.127 -1.083 3.329 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.268 -3.369 1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.654 -1.637 0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -10.016 -1.790 2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.028 -0.431 1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.384 -2.105 -0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.670 -0.916 0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.090 -2.599 0.894 1.00 0.00 H new ATOM 1442 N PHE A 94 -5.379 -1.465 5.246 1.00 0.00 N ATOM 1443 CA PHE A 94 -4.917 -1.034 6.561 1.00 0.00 C ATOM 1444 C PHE A 94 -5.268 0.429 6.809 1.00 0.00 C ATOM 1445 O PHE A 94 -5.215 1.255 5.898 1.00 0.00 O ATOM 1446 CB PHE A 94 -3.404 -1.234 6.682 1.00 0.00 C ATOM 1447 CG PHE A 94 -2.603 -0.261 5.866 1.00 0.00 C ATOM 1448 CD1 PHE A 94 -2.277 -0.544 4.549 1.00 0.00 C ATOM 1449 CD2 PHE A 94 -2.176 0.937 6.414 1.00 0.00 C ATOM 1450 CE1 PHE A 94 -1.540 0.350 3.796 1.00 0.00 C ATOM 1451 CE2 PHE A 94 -1.438 1.835 5.667 1.00 0.00 C ATOM 1452 CZ PHE A 94 -1.121 1.541 4.355 1.00 0.00 C ATOM 0 H PHE A 94 -5.345 -0.741 4.529 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.420 -1.642 7.313 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -3.116 -1.141 7.729 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -3.154 -2.248 6.372 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.603 -1.474 4.106 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.423 1.172 7.439 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.292 0.117 2.771 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -1.110 2.765 6.108 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.546 2.242 3.767 1.00 0.00 H new ATOM 1462 N GLU A 95 -5.631 0.743 8.049 1.00 0.00 N ATOM 1463 CA GLU A 95 -5.994 2.105 8.418 1.00 0.00 C ATOM 1464 C GLU A 95 -4.750 2.976 8.576 1.00 0.00 C ATOM 1465 O GLU A 95 -3.641 2.468 8.737 1.00 0.00 O ATOM 1466 CB GLU A 95 -6.801 2.109 9.717 1.00 0.00 C ATOM 1467 CG GLU A 95 -8.287 1.863 9.512 1.00 0.00 C ATOM 1468 CD GLU A 95 -9.062 1.860 10.815 1.00 0.00 C ATOM 1469 OE1 GLU A 95 -8.598 2.496 11.784 1.00 0.00 O ATOM 1470 OE2 GLU A 95 -10.135 1.221 10.864 1.00 0.00 O ATOM 0 H GLU A 95 -5.681 0.071 8.815 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.607 2.519 7.618 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.403 1.344 10.384 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.666 3.069 10.216 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.692 2.632 8.854 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.427 0.907 9.008 1.00 0.00 H new ATOM 1477 N ALA A 96 -4.944 4.290 8.528 1.00 0.00 N ATOM 1478 CA ALA A 96 -3.840 5.231 8.667 1.00 0.00 C ATOM 1479 C ALA A 96 -3.220 5.147 10.057 1.00 0.00 C ATOM 1480 O ALA A 96 -1.999 5.193 10.207 1.00 0.00 O ATOM 1481 CB ALA A 96 -4.316 6.649 8.384 1.00 0.00 C ATOM 0 H ALA A 96 -5.856 4.727 8.394 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.074 4.965 7.939 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.481 7.341 8.492 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.706 6.706 7.368 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.102 6.917 9.090 1.00 0.00 H new ATOM 1487 N ASN A 97 -4.069 5.024 11.073 1.00 0.00 N ATOM 1488 CA ASN A 97 -3.603 4.935 12.452 1.00 0.00 C ATOM 1489 C ASN A 97 -2.772 3.674 12.666 1.00 0.00 C ATOM 1490 O ASN A 97 -1.741 3.704 13.338 1.00 0.00 O ATOM 1491 CB ASN A 97 -4.792 4.946 13.416 1.00 0.00 C ATOM 1492 CG ASN A 97 -5.347 3.557 13.663 1.00 0.00 C ATOM 1493 OD1 ASN A 97 -6.230 3.106 12.778 1.00 0.00 O flip ATOM 1494 ND2 ASN A 97 -4.988 2.897 14.638 1.00 0.00 N flip ATOM 0 H ASN A 97 -5.083 4.984 10.967 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.973 5.802 12.653 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.483 5.385 14.365 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.579 5.582 13.011 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.307 3.283 15.292 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.371 1.964 14.792 1.00 0.00 H new ATOM 1501 N ASP A 98 -3.228 2.567 12.088 1.00 0.00 N ATOM 1502 CA ASP A 98 -2.527 1.295 12.214 1.00 0.00 C ATOM 1503 C ASP A 98 -1.016 1.499 12.148 1.00 0.00 C ATOM 1504 O ASP A 98 -0.266 0.926 12.940 1.00 0.00 O ATOM 1505 CB ASP A 98 -2.972 0.332 11.112 1.00 0.00 C ATOM 1506 CG ASP A 98 -4.339 -0.265 11.383 1.00 0.00 C ATOM 1507 OD1 ASP A 98 -4.769 -0.252 12.555 1.00 0.00 O ATOM 1508 OD2 ASP A 98 -4.978 -0.746 10.424 1.00 0.00 O ATOM 0 H ASP A 98 -4.080 2.526 11.528 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.776 0.865 13.184 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.992 0.860 10.158 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.240 -0.470 11.017 1.00 0.00 H new ATOM 1513 N LEU A 99 -0.576 2.317 11.198 1.00 0.00 N ATOM 1514 CA LEU A 99 0.847 2.596 11.029 1.00 0.00 C ATOM 1515 C LEU A 99 1.264 3.816 11.843 1.00 0.00 C ATOM 1516 O LEU A 99 2.264 3.785 12.560 1.00 0.00 O ATOM 1517 CB LEU A 99 1.168 2.821 9.550 1.00 0.00 C ATOM 1518 CG LEU A 99 2.651 2.949 9.198 1.00 0.00 C ATOM 1519 CD1 LEU A 99 3.365 1.623 9.410 1.00 0.00 C ATOM 1520 CD2 LEU A 99 2.819 3.425 7.762 1.00 0.00 C ATOM 0 H LEU A 99 -1.182 2.798 10.534 1.00 0.00 H new ATOM 0 HA LEU A 99 1.407 1.734 11.390 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.749 1.993 8.978 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.657 3.726 9.221 1.00 0.00 H new ATOM 0 HG LEU A 99 3.100 3.690 9.859 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.419 1.732 9.155 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.274 1.323 10.454 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.915 0.861 8.773 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.880 3.510 7.529 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.355 2.708 7.084 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.342 4.398 7.643 1.00 0.00 H new ATOM 1532 N PHE A 100 0.489 4.889 11.730 1.00 0.00 N ATOM 1533 CA PHE A 100 0.777 6.120 12.458 1.00 0.00 C ATOM 1534 C PHE A 100 0.993 5.838 13.941 1.00 0.00 C ATOM 1535 O PHE A 100 2.080 6.057 14.474 1.00 0.00 O ATOM 1536 CB PHE A 100 -0.365 7.123 12.280 1.00 0.00 C ATOM 1537 CG PHE A 100 -0.003 8.522 12.686 1.00 0.00 C ATOM 1538 CD1 PHE A 100 0.956 9.236 11.987 1.00 0.00 C ATOM 1539 CD2 PHE A 100 -0.622 9.125 13.770 1.00 0.00 C ATOM 1540 CE1 PHE A 100 1.292 10.524 12.358 1.00 0.00 C ATOM 1541 CE2 PHE A 100 -0.291 10.413 14.146 1.00 0.00 C ATOM 1542 CZ PHE A 100 0.668 11.113 13.440 1.00 0.00 C ATOM 0 H PHE A 100 -0.343 4.932 11.142 1.00 0.00 H new ATOM 0 HA PHE A 100 1.693 6.547 12.050 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -0.676 7.125 11.235 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.222 6.793 12.867 1.00 0.00 H new ATOM 0 HD1 PHE A 100 1.448 8.780 11.141 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.371 8.582 14.327 1.00 0.00 H new ATOM 0 HE1 PHE A 100 2.041 11.069 11.803 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.782 10.872 14.991 1.00 0.00 H new ATOM 0 HZ PHE A 100 0.929 12.119 13.734 1.00 0.00 H new ATOM 1552 N GLU A 101 -0.052 5.349 14.603 1.00 0.00 N ATOM 1553 CA GLU A 101 0.024 5.037 16.026 1.00 0.00 C ATOM 1554 C GLU A 101 0.307 3.553 16.243 1.00 0.00 C ATOM 1555 O GLU A 101 -0.164 2.956 17.211 1.00 0.00 O ATOM 1556 CB GLU A 101 -1.280 5.426 16.725 1.00 0.00 C ATOM 1557 CG GLU A 101 -1.686 6.873 16.496 1.00 0.00 C ATOM 1558 CD GLU A 101 -2.469 7.450 17.660 1.00 0.00 C ATOM 1559 OE1 GLU A 101 -2.084 7.192 18.819 1.00 0.00 O ATOM 1560 OE2 GLU A 101 -3.465 8.160 17.411 1.00 0.00 O ATOM 0 H GLU A 101 -0.960 5.161 14.177 1.00 0.00 H new ATOM 0 HA GLU A 101 0.844 5.612 16.455 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.079 4.773 16.374 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.174 5.252 17.796 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.793 7.475 16.330 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.288 6.939 15.590 1.00 0.00 H new ATOM 1567 N SER A 102 1.078 2.964 15.335 1.00 0.00 N ATOM 1568 CA SER A 102 1.421 1.550 15.424 1.00 0.00 C ATOM 1569 C SER A 102 0.220 0.728 15.879 1.00 0.00 C ATOM 1570 O SER A 102 0.372 -0.353 16.446 1.00 0.00 O ATOM 1571 CB SER A 102 2.588 1.346 16.392 1.00 0.00 C ATOM 1572 OG SER A 102 2.207 1.654 17.722 1.00 0.00 O ATOM 0 H SER A 102 1.477 3.445 14.529 1.00 0.00 H new ATOM 0 HA SER A 102 1.718 1.211 14.432 1.00 0.00 H new ATOM 0 HB2 SER A 102 2.932 0.313 16.339 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.426 1.977 16.095 1.00 0.00 H new ATOM 0 HG SER A 102 1.317 2.065 17.721 1.00 0.00 H new ATOM 1578 N GLY A 103 -0.977 1.248 15.624 1.00 0.00 N ATOM 1579 CA GLY A 103 -2.189 0.550 16.013 1.00 0.00 C ATOM 1580 C GLY A 103 -2.290 -0.827 15.387 1.00 0.00 C ATOM 1581 O GLY A 103 -3.094 -1.653 15.818 1.00 0.00 O ATOM 0 H GLY A 103 -1.129 2.141 15.155 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.218 0.455 17.099 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -3.056 1.143 15.721 1.00 0.00 H new ATOM 1585 N ASN A 104 -1.476 -1.073 14.367 1.00 0.00 N ATOM 1586 CA ASN A 104 -1.480 -2.359 13.679 1.00 0.00 C ATOM 1587 C ASN A 104 -0.344 -2.436 12.663 1.00 0.00 C ATOM 1588 O ASN A 104 -0.345 -1.725 11.659 1.00 0.00 O ATOM 1589 CB ASN A 104 -2.821 -2.581 12.976 1.00 0.00 C ATOM 1590 CG ASN A 104 -3.162 -4.053 12.834 1.00 0.00 C ATOM 1591 OD1 ASN A 104 -2.279 -4.909 12.839 1.00 0.00 O ATOM 1592 ND2 ASN A 104 -4.450 -4.351 12.706 1.00 0.00 N ATOM 0 H ASN A 104 -0.805 -0.399 13.998 1.00 0.00 H new ATOM 0 HA ASN A 104 -1.333 -3.141 14.424 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.610 -2.080 13.537 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.791 -2.121 11.988 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -4.741 -5.324 12.606 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -5.148 -3.607 12.707 1.00 0.00 H new ATOM 1599 N MET A 105 0.626 -3.305 12.934 1.00 0.00 N ATOM 1600 CA MET A 105 1.768 -3.476 12.043 1.00 0.00 C ATOM 1601 C MET A 105 1.605 -4.728 11.185 1.00 0.00 C ATOM 1602 O MET A 105 2.367 -4.951 10.244 1.00 0.00 O ATOM 1603 CB MET A 105 3.063 -3.563 12.851 1.00 0.00 C ATOM 1604 CG MET A 105 3.729 -2.216 13.079 1.00 0.00 C ATOM 1605 SD MET A 105 4.919 -1.802 11.789 1.00 0.00 S ATOM 1606 CE MET A 105 3.827 -1.546 10.391 1.00 0.00 C ATOM 0 H MET A 105 0.644 -3.900 13.762 1.00 0.00 H new ATOM 0 HA MET A 105 1.817 -2.609 11.384 1.00 0.00 H new ATOM 0 HB2 MET A 105 2.849 -4.021 13.817 1.00 0.00 H new ATOM 0 HB3 MET A 105 3.761 -4.221 12.333 1.00 0.00 H new ATOM 0 HG2 MET A 105 2.965 -1.440 13.125 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.234 -2.224 14.045 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.357 -1.000 9.610 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.501 -2.511 10.002 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.958 -0.971 10.709 1.00 0.00 H new ATOM 1616 N THR A 106 0.606 -5.541 11.516 1.00 0.00 N ATOM 1617 CA THR A 106 0.345 -6.770 10.778 1.00 0.00 C ATOM 1618 C THR A 106 -0.539 -6.504 9.564 1.00 0.00 C ATOM 1619 O THR A 106 -0.308 -7.050 8.486 1.00 0.00 O ATOM 1620 CB THR A 106 -0.331 -7.828 11.669 1.00 0.00 C ATOM 1621 OG1 THR A 106 -1.726 -7.535 11.806 1.00 0.00 O ATOM 1622 CG2 THR A 106 0.320 -7.874 13.043 1.00 0.00 C ATOM 0 H THR A 106 -0.035 -5.370 12.291 1.00 0.00 H new ATOM 0 HA THR A 106 1.311 -7.150 10.445 1.00 0.00 H new ATOM 0 HB THR A 106 -0.210 -8.802 11.194 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.836 -6.629 12.163 1.00 0.00 H new ATOM 0 HG21 THR A 106 -0.174 -8.629 13.655 1.00 0.00 H new ATOM 0 HG22 THR A 106 1.375 -8.127 12.937 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.226 -6.900 13.523 1.00 0.00 H new ATOM 1630 N GLN A 107 -1.550 -5.662 9.747 1.00 0.00 N ATOM 1631 CA GLN A 107 -2.469 -5.325 8.667 1.00 0.00 C ATOM 1632 C GLN A 107 -1.750 -4.555 7.563 1.00 0.00 C ATOM 1633 O GLN A 107 -2.071 -4.698 6.382 1.00 0.00 O ATOM 1634 CB GLN A 107 -3.639 -4.498 9.202 1.00 0.00 C ATOM 1635 CG GLN A 107 -4.927 -4.686 8.418 1.00 0.00 C ATOM 1636 CD GLN A 107 -5.676 -5.942 8.818 1.00 0.00 C ATOM 1637 OE1 GLN A 107 -6.089 -6.092 9.969 1.00 0.00 O ATOM 1638 NE2 GLN A 107 -5.856 -6.853 7.870 1.00 0.00 N ATOM 0 H GLN A 107 -1.754 -5.200 10.633 1.00 0.00 H new ATOM 0 HA GLN A 107 -2.853 -6.255 8.248 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -3.816 -4.766 10.244 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -3.365 -3.443 9.186 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.571 -3.820 8.571 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -4.697 -4.728 7.353 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -5.497 -6.688 6.930 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -6.353 -7.718 8.082 1.00 0.00 H new ATOM 1647 N VAL A 108 -0.777 -3.740 7.953 1.00 0.00 N ATOM 1648 CA VAL A 108 -0.013 -2.948 6.996 1.00 0.00 C ATOM 1649 C VAL A 108 1.008 -3.810 6.260 1.00 0.00 C ATOM 1650 O VAL A 108 1.310 -3.569 5.092 1.00 0.00 O ATOM 1651 CB VAL A 108 0.721 -1.784 7.689 1.00 0.00 C ATOM 1652 CG1 VAL A 108 1.602 -1.041 6.697 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -0.277 -0.838 8.340 1.00 0.00 C ATOM 0 H VAL A 108 -0.498 -3.610 8.926 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.728 -2.543 6.280 1.00 0.00 H new ATOM 0 HB VAL A 108 1.361 -2.195 8.470 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.112 -0.223 7.205 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.341 -1.727 6.282 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.986 -0.640 5.892 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.258 -0.022 8.825 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.944 -0.433 7.579 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.861 -1.381 9.083 1.00 0.00 H new ATOM 1663 N GLN A 109 1.533 -4.816 6.952 1.00 0.00 N ATOM 1664 CA GLN A 109 2.519 -5.715 6.363 1.00 0.00 C ATOM 1665 C GLN A 109 1.884 -6.590 5.288 1.00 0.00 C ATOM 1666 O GLN A 109 2.341 -6.617 4.146 1.00 0.00 O ATOM 1667 CB GLN A 109 3.150 -6.592 7.445 1.00 0.00 C ATOM 1668 CG GLN A 109 4.342 -7.399 6.955 1.00 0.00 C ATOM 1669 CD GLN A 109 5.323 -7.722 8.065 1.00 0.00 C ATOM 1670 OE1 GLN A 109 5.748 -6.839 8.811 1.00 0.00 O ATOM 1671 NE2 GLN A 109 5.690 -8.994 8.180 1.00 0.00 N ATOM 0 H GLN A 109 1.293 -5.029 7.920 1.00 0.00 H new ATOM 0 HA GLN A 109 3.296 -5.108 5.899 1.00 0.00 H new ATOM 0 HB2 GLN A 109 3.466 -5.960 8.275 1.00 0.00 H new ATOM 0 HB3 GLN A 109 2.395 -7.275 7.834 1.00 0.00 H new ATOM 0 HG2 GLN A 109 3.988 -8.327 6.506 1.00 0.00 H new ATOM 0 HG3 GLN A 109 4.856 -6.842 6.172 1.00 0.00 H new ATOM 0 HE21 GLN A 109 5.313 -9.693 7.540 1.00 0.00 H new ATOM 0 HE22 GLN A 109 6.349 -9.271 8.908 1.00 0.00 H new ATOM 1680 N VAL A 110 0.829 -7.306 5.662 1.00 0.00 N ATOM 1681 CA VAL A 110 0.131 -8.183 4.729 1.00 0.00 C ATOM 1682 C VAL A 110 -0.376 -7.407 3.519 1.00 0.00 C ATOM 1683 O VAL A 110 -0.344 -7.903 2.393 1.00 0.00 O ATOM 1684 CB VAL A 110 -1.059 -8.890 5.407 1.00 0.00 C ATOM 1685 CG1 VAL A 110 -0.574 -9.807 6.519 1.00 0.00 C ATOM 1686 CG2 VAL A 110 -2.050 -7.867 5.942 1.00 0.00 C ATOM 0 H VAL A 110 0.439 -7.296 6.604 1.00 0.00 H new ATOM 0 HA VAL A 110 0.851 -8.932 4.400 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.568 -9.502 4.662 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.429 -10.297 6.985 1.00 0.00 H new ATOM 0 HG12 VAL A 110 0.094 -10.561 6.103 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -0.039 -9.221 7.267 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.884 -8.383 6.418 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.554 -7.228 6.673 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.422 -7.256 5.119 1.00 0.00 H new ATOM 1696 N SER A 111 -0.840 -6.185 3.759 1.00 0.00 N ATOM 1697 CA SER A 111 -1.357 -5.340 2.689 1.00 0.00 C ATOM 1698 C SER A 111 -0.351 -5.235 1.546 1.00 0.00 C ATOM 1699 O SER A 111 -0.701 -5.399 0.377 1.00 0.00 O ATOM 1700 CB SER A 111 -1.684 -3.945 3.224 1.00 0.00 C ATOM 1701 OG SER A 111 -2.720 -3.339 2.470 1.00 0.00 O ATOM 0 H SER A 111 -0.869 -5.758 4.685 1.00 0.00 H new ATOM 0 HA SER A 111 -2.269 -5.798 2.307 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.984 -4.014 4.270 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.791 -3.320 3.189 1.00 0.00 H new ATOM 0 HG SER A 111 -3.528 -3.891 2.522 1.00 0.00 H new ATOM 1707 N LEU A 112 0.902 -4.961 1.893 1.00 0.00 N ATOM 1708 CA LEU A 112 1.962 -4.833 0.898 1.00 0.00 C ATOM 1709 C LEU A 112 2.274 -6.183 0.260 1.00 0.00 C ATOM 1710 O LEU A 112 2.481 -6.276 -0.950 1.00 0.00 O ATOM 1711 CB LEU A 112 3.224 -4.254 1.540 1.00 0.00 C ATOM 1712 CG LEU A 112 3.053 -2.928 2.281 1.00 0.00 C ATOM 1713 CD1 LEU A 112 4.370 -2.489 2.900 1.00 0.00 C ATOM 1714 CD2 LEU A 112 2.519 -1.856 1.341 1.00 0.00 C ATOM 0 H LEU A 112 1.209 -4.823 2.856 1.00 0.00 H new ATOM 0 HA LEU A 112 1.616 -4.155 0.118 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.621 -4.989 2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.974 -4.118 0.761 1.00 0.00 H new ATOM 0 HG LEU A 112 2.329 -3.073 3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.229 -1.543 3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.711 -3.247 3.606 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.116 -2.362 2.116 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.404 -0.919 1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.218 -1.713 0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.552 -2.167 0.946 1.00 0.00 H new ATOM 1726 N LEU A 113 2.305 -7.226 1.081 1.00 0.00 N ATOM 1727 CA LEU A 113 2.590 -8.573 0.598 1.00 0.00 C ATOM 1728 C LEU A 113 1.510 -9.044 -0.370 1.00 0.00 C ATOM 1729 O LEU A 113 1.762 -9.876 -1.241 1.00 0.00 O ATOM 1730 CB LEU A 113 2.698 -9.546 1.773 1.00 0.00 C ATOM 1731 CG LEU A 113 4.013 -9.514 2.553 1.00 0.00 C ATOM 1732 CD1 LEU A 113 3.897 -10.333 3.829 1.00 0.00 C ATOM 1733 CD2 LEU A 113 5.157 -10.024 1.691 1.00 0.00 C ATOM 0 H LEU A 113 2.136 -7.165 2.085 1.00 0.00 H new ATOM 0 HA LEU A 113 3.542 -8.548 0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.883 -9.339 2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.547 -10.558 1.396 1.00 0.00 H new ATOM 0 HG LEU A 113 4.225 -8.481 2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.842 -10.299 4.371 1.00 0.00 H new ATOM 0 HD12 LEU A 113 3.105 -9.922 4.455 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.661 -11.367 3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.085 -9.994 2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.952 -11.050 1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.255 -9.394 0.807 1.00 0.00 H new ATOM 1745 N ALA A 114 0.306 -8.504 -0.212 1.00 0.00 N ATOM 1746 CA ALA A 114 -0.813 -8.867 -1.075 1.00 0.00 C ATOM 1747 C ALA A 114 -0.834 -8.008 -2.335 1.00 0.00 C ATOM 1748 O ALA A 114 -1.152 -8.492 -3.423 1.00 0.00 O ATOM 1749 CB ALA A 114 -2.126 -8.731 -0.320 1.00 0.00 C ATOM 0 H ALA A 114 0.080 -7.814 0.505 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.686 -9.907 -1.377 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.953 -9.005 -0.976 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -2.117 -9.391 0.548 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -2.251 -7.700 0.010 1.00 0.00 H new ATOM 1755 N LEU A 115 -0.494 -6.733 -2.183 1.00 0.00 N ATOM 1756 CA LEU A 115 -0.475 -5.806 -3.310 1.00 0.00 C ATOM 1757 C LEU A 115 0.657 -6.145 -4.274 1.00 0.00 C ATOM 1758 O LEU A 115 0.505 -6.036 -5.489 1.00 0.00 O ATOM 1759 CB LEU A 115 -0.323 -4.368 -2.810 1.00 0.00 C ATOM 1760 CG LEU A 115 0.253 -3.368 -3.812 1.00 0.00 C ATOM 1761 CD1 LEU A 115 -0.848 -2.808 -4.700 1.00 0.00 C ATOM 1762 CD2 LEU A 115 0.978 -2.243 -3.086 1.00 0.00 C ATOM 0 H LEU A 115 -0.228 -6.317 -1.291 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.421 -5.900 -3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -1.302 -4.010 -2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.316 -4.377 -1.927 1.00 0.00 H new ATOM 0 HG LEU A 115 0.972 -3.889 -4.444 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -0.419 -2.098 -5.407 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.324 -3.622 -5.247 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.591 -2.302 -4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.382 -1.540 -3.815 1.00 0.00 H new ATOM 0 HD22 LEU A 115 0.279 -1.724 -2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.793 -2.658 -2.493 1.00 0.00 H new ATOM 1774 N ALA A 116 1.794 -6.557 -3.721 1.00 0.00 N ATOM 1775 CA ALA A 116 2.951 -6.916 -4.533 1.00 0.00 C ATOM 1776 C ALA A 116 2.644 -8.111 -5.429 1.00 0.00 C ATOM 1777 O ALA A 116 3.055 -8.152 -6.587 1.00 0.00 O ATOM 1778 CB ALA A 116 4.147 -7.215 -3.641 1.00 0.00 C ATOM 0 H ALA A 116 1.938 -6.650 -2.716 1.00 0.00 H new ATOM 0 HA ALA A 116 3.192 -6.068 -5.174 1.00 0.00 H new ATOM 0 HB1 ALA A 116 5.004 -7.482 -4.259 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.388 -6.333 -3.048 1.00 0.00 H new ATOM 0 HB3 ALA A 116 3.907 -8.045 -2.976 1.00 0.00 H new ATOM 1784 N GLY A 117 1.920 -9.084 -4.883 1.00 0.00 N ATOM 1785 CA GLY A 117 1.572 -10.268 -5.647 1.00 0.00 C ATOM 1786 C GLY A 117 0.875 -9.931 -6.951 1.00 0.00 C ATOM 1787 O GLY A 117 1.127 -10.558 -7.979 1.00 0.00 O ATOM 0 H GLY A 117 1.568 -9.073 -3.926 1.00 0.00 H new ATOM 0 HA2 GLY A 117 2.476 -10.839 -5.859 1.00 0.00 H new ATOM 0 HA3 GLY A 117 0.924 -10.907 -5.047 1.00 0.00 H new ATOM 1791 N LYS A 118 -0.008 -8.938 -6.909 1.00 0.00 N ATOM 1792 CA LYS A 118 -0.745 -8.519 -8.095 1.00 0.00 C ATOM 1793 C LYS A 118 0.161 -7.756 -9.057 1.00 0.00 C ATOM 1794 O LYS A 118 0.120 -7.974 -10.268 1.00 0.00 O ATOM 1795 CB LYS A 118 -1.936 -7.644 -7.699 1.00 0.00 C ATOM 1796 CG LYS A 118 -2.618 -6.973 -8.879 1.00 0.00 C ATOM 1797 CD LYS A 118 -3.800 -6.130 -8.433 1.00 0.00 C ATOM 1798 CE LYS A 118 -4.969 -6.997 -7.992 1.00 0.00 C ATOM 1799 NZ LYS A 118 -5.505 -7.817 -9.113 1.00 0.00 N ATOM 0 H LYS A 118 -0.230 -8.409 -6.066 1.00 0.00 H new ATOM 0 HA LYS A 118 -1.111 -9.414 -8.599 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -2.665 -8.256 -7.169 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.597 -6.877 -7.002 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -1.900 -6.345 -9.406 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -2.956 -7.732 -9.585 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -3.496 -5.482 -7.611 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -4.115 -5.482 -9.251 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -4.649 -7.653 -7.183 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -5.762 -6.363 -7.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -6.460 -8.152 -8.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -5.548 -7.239 -9.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -4.882 -8.634 -9.274 1.00 0.00 H new ATOM 1813 N ALA A 119 0.979 -6.862 -8.511 1.00 0.00 N ATOM 1814 CA ALA A 119 1.897 -6.071 -9.320 1.00 0.00 C ATOM 1815 C ALA A 119 2.809 -6.966 -10.151 1.00 0.00 C ATOM 1816 O ALA A 119 3.122 -6.656 -11.300 1.00 0.00 O ATOM 1817 CB ALA A 119 2.722 -5.151 -8.433 1.00 0.00 C ATOM 0 H ALA A 119 1.024 -6.668 -7.511 1.00 0.00 H new ATOM 0 HA ALA A 119 1.307 -5.464 -10.006 1.00 0.00 H new ATOM 0 HB1 ALA A 119 3.404 -4.566 -9.050 1.00 0.00 H new ATOM 0 HB2 ALA A 119 2.058 -4.479 -7.888 1.00 0.00 H new ATOM 0 HB3 ALA A 119 3.296 -5.748 -7.724 1.00 0.00 H new