USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 714 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 65 ASN :FLIP amide:sc= 0.565 F(o=0.7,f=1.2) USER MOD Set 1.2: A 71 THR OG1 : rot 76:sc= 0.636 USER MOD Set 2.1: A 70 TYR OH : rot 53:sc= 0.117 USER MOD Set 2.2: A 88 TYR OH : rot 167:sc= 1.41 USER MOD Single : A 9 HIS : no HE2:sc= -2.17 X(o=-2.2,f=-2.4!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN :FLIP amide:sc= -0.271 F(o=-0.8,f=-0.27) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -7:sc= 0.362 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -63:sc= 0.995 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN :FLIP amide:sc= -0.13 F(o=-1,f=-0.13) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -16:sc= -0.0935 USER MOD Single : A 78 MET CE :methyl 158:sc= -0.308 (180deg=-1.28) USER MOD Single : A 79 SER OG : rot 180:sc= -0.257 USER MOD Single : A 82 TYR OH : rot 7:sc= 1.21 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -1.04 USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD ----------------------------------------------------------------- ATOM 76 N HIS A 9 19.785 3.560 -2.370 1.00 0.00 N ATOM 77 CA HIS A 9 18.414 3.824 -1.949 1.00 0.00 C ATOM 78 C HIS A 9 18.185 3.352 -0.516 1.00 0.00 C ATOM 79 O HIS A 9 18.671 2.294 -0.116 1.00 0.00 O ATOM 80 CB HIS A 9 17.427 3.132 -2.890 1.00 0.00 C ATOM 81 CG HIS A 9 17.658 1.658 -3.022 1.00 0.00 C ATOM 82 ND1 HIS A 9 18.317 1.093 -4.094 1.00 0.00 N ATOM 83 CD2 HIS A 9 17.316 0.632 -2.209 1.00 0.00 C ATOM 84 CE1 HIS A 9 18.368 -0.217 -3.935 1.00 0.00 C ATOM 85 NE2 HIS A 9 17.768 -0.523 -2.799 1.00 0.00 N ATOM 0 HA HIS A 9 18.249 4.901 -1.989 1.00 0.00 H new ATOM 0 HB2 HIS A 9 16.413 3.301 -2.528 1.00 0.00 H new ATOM 0 HB3 HIS A 9 17.495 3.592 -3.876 1.00 0.00 H new ATOM 0 HD1 HIS A 9 18.704 1.607 -4.886 1.00 0.00 H new ATOM 0 HD2 HIS A 9 16.786 0.707 -1.271 1.00 0.00 H new ATOM 0 HE1 HIS A 9 18.823 -0.919 -4.618 1.00 0.00 H new ATOM 94 N ASP A 10 17.445 4.144 0.251 1.00 0.00 N ATOM 95 CA ASP A 10 17.152 3.807 1.640 1.00 0.00 C ATOM 96 C ASP A 10 15.648 3.680 1.862 1.00 0.00 C ATOM 97 O ASP A 10 14.959 4.672 2.095 1.00 0.00 O ATOM 98 CB ASP A 10 17.731 4.868 2.577 1.00 0.00 C ATOM 99 CG ASP A 10 19.215 4.679 2.819 1.00 0.00 C ATOM 100 OD1 ASP A 10 19.990 4.761 1.844 1.00 0.00 O ATOM 101 OD2 ASP A 10 19.602 4.448 3.985 1.00 0.00 O ATOM 0 H ASP A 10 17.037 5.024 -0.065 1.00 0.00 H new ATOM 0 HA ASP A 10 17.616 2.846 1.861 1.00 0.00 H new ATOM 0 HB2 ASP A 10 17.558 5.857 2.152 1.00 0.00 H new ATOM 0 HB3 ASP A 10 17.203 4.834 3.530 1.00 0.00 H new ATOM 106 N ALA A 11 15.147 2.451 1.788 1.00 0.00 N ATOM 107 CA ALA A 11 13.725 2.194 1.982 1.00 0.00 C ATOM 108 C ALA A 11 13.277 2.612 3.378 1.00 0.00 C ATOM 109 O ALA A 11 12.136 3.028 3.576 1.00 0.00 O ATOM 110 CB ALA A 11 13.418 0.722 1.745 1.00 0.00 C ATOM 0 H ALA A 11 15.704 1.619 1.595 1.00 0.00 H new ATOM 0 HA ALA A 11 13.171 2.791 1.258 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.353 0.544 1.893 1.00 0.00 H new ATOM 0 HB2 ALA A 11 13.692 0.453 0.725 1.00 0.00 H new ATOM 0 HB3 ALA A 11 13.989 0.114 2.447 1.00 0.00 H new ATOM 116 N SER A 12 14.183 2.497 4.344 1.00 0.00 N ATOM 117 CA SER A 12 13.879 2.859 5.724 1.00 0.00 C ATOM 118 C SER A 12 13.552 4.345 5.836 1.00 0.00 C ATOM 119 O SER A 12 13.109 4.818 6.883 1.00 0.00 O ATOM 120 CB SER A 12 15.058 2.514 6.635 1.00 0.00 C ATOM 121 OG SER A 12 15.408 1.146 6.522 1.00 0.00 O ATOM 0 H SER A 12 15.133 2.156 4.197 1.00 0.00 H new ATOM 0 HA SER A 12 13.006 2.288 6.040 1.00 0.00 H new ATOM 0 HB2 SER A 12 15.916 3.134 6.375 1.00 0.00 H new ATOM 0 HB3 SER A 12 14.801 2.742 7.669 1.00 0.00 H new ATOM 0 HG SER A 12 16.165 0.952 7.113 1.00 0.00 H new ATOM 127 N LYS A 13 13.774 5.077 4.749 1.00 0.00 N ATOM 128 CA LYS A 13 13.502 6.509 4.723 1.00 0.00 C ATOM 129 C LYS A 13 12.130 6.792 4.120 1.00 0.00 C ATOM 130 O LYS A 13 11.796 7.938 3.821 1.00 0.00 O ATOM 131 CB LYS A 13 14.583 7.239 3.921 1.00 0.00 C ATOM 132 CG LYS A 13 15.974 7.105 4.515 1.00 0.00 C ATOM 133 CD LYS A 13 16.263 8.213 5.514 1.00 0.00 C ATOM 134 CE LYS A 13 17.615 8.022 6.183 1.00 0.00 C ATOM 135 NZ LYS A 13 17.892 9.085 7.189 1.00 0.00 N ATOM 0 H LYS A 13 14.142 4.702 3.875 1.00 0.00 H new ATOM 0 HA LYS A 13 13.510 6.874 5.750 1.00 0.00 H new ATOM 0 HB2 LYS A 13 14.593 6.851 2.903 1.00 0.00 H new ATOM 0 HB3 LYS A 13 14.325 8.296 3.857 1.00 0.00 H new ATOM 0 HG2 LYS A 13 16.069 6.137 5.007 1.00 0.00 H new ATOM 0 HG3 LYS A 13 16.716 7.131 3.717 1.00 0.00 H new ATOM 0 HD2 LYS A 13 16.240 9.177 5.006 1.00 0.00 H new ATOM 0 HD3 LYS A 13 15.480 8.234 6.272 1.00 0.00 H new ATOM 0 HE2 LYS A 13 17.645 7.046 6.668 1.00 0.00 H new ATOM 0 HE3 LYS A 13 18.399 8.026 5.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 18.823 8.919 7.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 17.888 10.014 6.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 17.159 9.065 7.926 1.00 0.00 H new ATOM 149 N VAL A 14 11.337 5.739 3.946 1.00 0.00 N ATOM 150 CA VAL A 14 9.999 5.874 3.381 1.00 0.00 C ATOM 151 C VAL A 14 8.943 5.928 4.479 1.00 0.00 C ATOM 152 O VAL A 14 8.831 5.012 5.293 1.00 0.00 O ATOM 153 CB VAL A 14 9.673 4.711 2.426 1.00 0.00 C ATOM 154 CG1 VAL A 14 8.278 4.876 1.842 1.00 0.00 C ATOM 155 CG2 VAL A 14 10.715 4.620 1.322 1.00 0.00 C ATOM 0 H VAL A 14 11.598 4.783 4.188 1.00 0.00 H new ATOM 0 HA VAL A 14 9.984 6.809 2.820 1.00 0.00 H new ATOM 0 HB VAL A 14 9.696 3.780 2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.065 4.045 1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.545 4.888 2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.224 5.814 1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.469 3.793 0.657 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.726 5.551 0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.698 4.451 1.762 1.00 0.00 H new ATOM 165 N ARG A 15 8.168 7.009 4.495 1.00 0.00 N ATOM 166 CA ARG A 15 7.120 7.183 5.493 1.00 0.00 C ATOM 167 C ARG A 15 5.754 6.830 4.914 1.00 0.00 C ATOM 168 O ARG A 15 5.322 7.410 3.918 1.00 0.00 O ATOM 169 CB ARG A 15 7.111 8.623 6.008 1.00 0.00 C ATOM 170 CG ARG A 15 8.008 8.844 7.215 1.00 0.00 C ATOM 171 CD ARG A 15 9.479 8.757 6.840 1.00 0.00 C ATOM 172 NE ARG A 15 9.989 10.025 6.325 1.00 0.00 N ATOM 173 CZ ARG A 15 11.271 10.370 6.360 1.00 0.00 C ATOM 174 NH1 ARG A 15 12.169 9.546 6.882 1.00 0.00 N ATOM 175 NH2 ARG A 15 11.658 11.541 5.871 1.00 0.00 N ATOM 0 H ARG A 15 8.247 7.777 3.828 1.00 0.00 H new ATOM 0 HA ARG A 15 7.328 6.509 6.324 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.426 9.289 5.205 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.090 8.900 6.269 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.800 9.821 7.650 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.782 8.100 7.979 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.059 8.461 7.714 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.616 7.979 6.089 1.00 0.00 H new ATOM 0 HE ARG A 15 9.324 10.682 5.916 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.876 8.644 7.258 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.153 9.814 6.907 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.971 12.178 5.468 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.643 11.805 5.899 1.00 0.00 H new ATOM 189 N ALA A 16 5.079 5.874 5.544 1.00 0.00 N ATOM 190 CA ALA A 16 3.761 5.444 5.092 1.00 0.00 C ATOM 191 C ALA A 16 2.665 5.982 6.006 1.00 0.00 C ATOM 192 O ALA A 16 2.622 5.662 7.194 1.00 0.00 O ATOM 193 CB ALA A 16 3.696 3.926 5.024 1.00 0.00 C ATOM 0 H ALA A 16 5.423 5.382 6.369 1.00 0.00 H new ATOM 0 HA ALA A 16 3.596 5.849 4.093 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.707 3.619 4.685 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.448 3.561 4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.886 3.509 6.013 1.00 0.00 H new ATOM 199 N SER A 17 1.782 6.802 5.445 1.00 0.00 N ATOM 200 CA SER A 17 0.689 7.388 6.211 1.00 0.00 C ATOM 201 C SER A 17 -0.555 7.553 5.343 1.00 0.00 C ATOM 202 O SER A 17 -0.486 7.469 4.117 1.00 0.00 O ATOM 203 CB SER A 17 1.108 8.743 6.784 1.00 0.00 C ATOM 204 OG SER A 17 2.163 8.596 7.719 1.00 0.00 O ATOM 0 H SER A 17 1.802 7.075 4.463 1.00 0.00 H new ATOM 0 HA SER A 17 0.451 6.712 7.033 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.424 9.402 5.975 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.254 9.218 7.266 1.00 0.00 H new ATOM 0 HG SER A 17 2.414 9.476 8.070 1.00 0.00 H new ATOM 210 N GLY A 18 -1.693 7.789 5.989 1.00 0.00 N ATOM 211 CA GLY A 18 -2.937 7.963 5.261 1.00 0.00 C ATOM 212 C GLY A 18 -4.000 6.969 5.685 1.00 0.00 C ATOM 213 O GLY A 18 -3.789 6.144 6.575 1.00 0.00 O ATOM 0 H GLY A 18 -1.776 7.863 7.003 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.308 8.976 5.418 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.748 7.855 4.193 1.00 0.00 H new ATOM 217 N PRO A 19 -5.173 7.040 5.040 1.00 0.00 N ATOM 218 CA PRO A 19 -6.297 6.148 5.339 1.00 0.00 C ATOM 219 C PRO A 19 -6.031 4.713 4.897 1.00 0.00 C ATOM 220 O PRO A 19 -6.311 3.765 5.630 1.00 0.00 O ATOM 221 CB PRO A 19 -7.452 6.749 4.534 1.00 0.00 C ATOM 222 CG PRO A 19 -6.794 7.482 3.416 1.00 0.00 C ATOM 223 CD PRO A 19 -5.494 7.999 3.969 1.00 0.00 C ATOM 0 HA PRO A 19 -6.493 6.085 6.409 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.120 5.973 4.160 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.055 7.420 5.147 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.622 6.823 2.565 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.421 8.301 3.063 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.715 8.025 3.207 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.597 9.013 4.355 1.00 0.00 H new ATOM 231 N GLY A 20 -5.487 4.560 3.693 1.00 0.00 N ATOM 232 CA GLY A 20 -5.192 3.237 3.175 1.00 0.00 C ATOM 233 C GLY A 20 -4.276 2.448 4.089 1.00 0.00 C ATOM 234 O GLY A 20 -4.307 1.216 4.099 1.00 0.00 O ATOM 0 H GLY A 20 -5.246 5.329 3.068 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.124 2.688 3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.728 3.330 2.193 1.00 0.00 H new ATOM 238 N LEU A 21 -3.456 3.156 4.857 1.00 0.00 N ATOM 239 CA LEU A 21 -2.525 2.514 5.778 1.00 0.00 C ATOM 240 C LEU A 21 -2.994 2.668 7.222 1.00 0.00 C ATOM 241 O LEU A 21 -2.183 2.814 8.135 1.00 0.00 O ATOM 242 CB LEU A 21 -1.125 3.110 5.618 1.00 0.00 C ATOM 243 CG LEU A 21 -0.529 3.055 4.211 1.00 0.00 C ATOM 244 CD1 LEU A 21 0.836 3.723 4.183 1.00 0.00 C ATOM 245 CD2 LEU A 21 -0.430 1.614 3.730 1.00 0.00 C ATOM 0 H LEU A 21 -3.417 4.175 4.860 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.490 1.451 5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.157 4.152 5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.450 2.589 6.297 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.190 3.598 3.536 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.244 3.674 3.174 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.737 4.766 4.484 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.507 3.209 4.871 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.004 1.594 2.727 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.209 1.047 4.407 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.424 1.168 3.711 1.00 0.00 H new ATOM 257 N ASN A 22 -4.307 2.631 7.419 1.00 0.00 N ATOM 258 CA ASN A 22 -4.884 2.765 8.752 1.00 0.00 C ATOM 259 C ASN A 22 -4.816 1.442 9.509 1.00 0.00 C ATOM 260 O ASN A 22 -5.341 0.426 9.054 1.00 0.00 O ATOM 261 CB ASN A 22 -6.336 3.237 8.657 1.00 0.00 C ATOM 262 CG ASN A 22 -6.904 3.637 10.005 1.00 0.00 C ATOM 263 OD1 ASN A 22 -8.037 3.047 10.368 1.00 0.00 O flip ATOM 264 ND2 ASN A 22 -6.330 4.465 10.712 1.00 0.00 N flip ATOM 0 H ASN A 22 -4.992 2.509 6.673 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.303 3.507 9.300 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.395 4.085 7.975 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.947 2.441 8.230 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.461 4.893 10.393 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.723 4.723 11.617 1.00 0.00 H new ATOM 271 N ALA A 23 -4.167 1.463 10.669 1.00 0.00 N ATOM 272 CA ALA A 23 -4.032 0.267 11.491 1.00 0.00 C ATOM 273 C ALA A 23 -5.274 0.048 12.348 1.00 0.00 C ATOM 274 O ALA A 23 -5.505 -1.050 12.854 1.00 0.00 O ATOM 275 CB ALA A 23 -2.793 0.366 12.368 1.00 0.00 C ATOM 0 H ALA A 23 -3.727 2.296 11.060 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.925 -0.591 10.827 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.705 -0.534 12.976 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.909 0.466 11.739 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.876 1.237 13.018 1.00 0.00 H new ATOM 281 N SER A 24 -6.070 1.100 12.508 1.00 0.00 N ATOM 282 CA SER A 24 -7.287 1.023 13.309 1.00 0.00 C ATOM 283 C SER A 24 -8.396 0.309 12.544 1.00 0.00 C ATOM 284 O SER A 24 -9.372 -0.157 13.132 1.00 0.00 O ATOM 285 CB SER A 24 -7.749 2.426 13.708 1.00 0.00 C ATOM 286 OG SER A 24 -7.161 2.827 14.934 1.00 0.00 O ATOM 0 H SER A 24 -5.895 2.016 12.094 1.00 0.00 H new ATOM 0 HA SER A 24 -7.064 0.451 14.210 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.484 3.136 12.925 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.835 2.442 13.799 1.00 0.00 H new ATOM 0 HG SER A 24 -7.471 3.727 15.166 1.00 0.00 H new ATOM 292 N GLY A 25 -8.240 0.226 11.226 1.00 0.00 N ATOM 293 CA GLY A 25 -9.235 -0.433 10.400 1.00 0.00 C ATOM 294 C GLY A 25 -9.846 0.500 9.374 1.00 0.00 C ATOM 295 O GLY A 25 -10.174 1.646 9.684 1.00 0.00 O ATOM 0 H GLY A 25 -7.442 0.604 10.715 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.776 -1.279 9.889 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.023 -0.834 11.037 1.00 0.00 H new ATOM 299 N ILE A 26 -9.998 0.010 8.148 1.00 0.00 N ATOM 300 CA ILE A 26 -10.574 0.808 7.073 1.00 0.00 C ATOM 301 C ILE A 26 -11.845 0.165 6.530 1.00 0.00 C ATOM 302 O ILE A 26 -11.976 -1.058 6.471 1.00 0.00 O ATOM 303 CB ILE A 26 -9.574 0.998 5.916 1.00 0.00 C ATOM 304 CG1 ILE A 26 -9.188 -0.357 5.320 1.00 0.00 C ATOM 305 CG2 ILE A 26 -8.339 1.742 6.401 1.00 0.00 C ATOM 306 CD1 ILE A 26 -8.636 -0.263 3.914 1.00 0.00 C ATOM 0 H ILE A 26 -9.730 -0.936 7.875 1.00 0.00 H new ATOM 0 HA ILE A 26 -10.816 1.782 7.498 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.050 1.594 5.137 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.445 -0.829 5.963 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.064 -1.006 5.315 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.642 1.869 5.573 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.630 2.720 6.783 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.859 1.171 7.195 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.384 -1.261 3.555 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.385 0.180 3.258 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.741 0.359 3.915 1.00 0.00 H new ATOM 318 N PRO A 27 -12.807 1.007 6.123 1.00 0.00 N ATOM 319 CA PRO A 27 -14.085 0.543 5.575 1.00 0.00 C ATOM 320 C PRO A 27 -13.928 -0.099 4.201 1.00 0.00 C ATOM 321 O PRO A 27 -13.604 0.575 3.224 1.00 0.00 O ATOM 322 CB PRO A 27 -14.914 1.826 5.474 1.00 0.00 C ATOM 323 CG PRO A 27 -13.908 2.919 5.356 1.00 0.00 C ATOM 324 CD PRO A 27 -12.719 2.476 6.164 1.00 0.00 C ATOM 0 HA PRO A 27 -14.540 -0.227 6.198 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -15.576 1.802 4.609 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -15.544 1.961 6.353 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.632 3.085 4.315 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -14.308 3.860 5.734 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.784 2.835 5.733 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.764 2.853 7.186 1.00 0.00 H new ATOM 332 N ALA A 28 -14.161 -1.405 4.133 1.00 0.00 N ATOM 333 CA ALA A 28 -14.048 -2.138 2.878 1.00 0.00 C ATOM 334 C ALA A 28 -15.025 -1.600 1.839 1.00 0.00 C ATOM 335 O ALA A 28 -15.833 -0.718 2.130 1.00 0.00 O ATOM 336 CB ALA A 28 -14.285 -3.623 3.110 1.00 0.00 C ATOM 0 H ALA A 28 -14.429 -1.978 4.933 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.037 -1.999 2.494 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.197 -4.158 2.164 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -13.544 -4.004 3.812 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.284 -3.772 3.520 1.00 0.00 H new ATOM 342 N SER A 29 -14.945 -2.136 0.625 1.00 0.00 N ATOM 343 CA SER A 29 -15.820 -1.706 -0.459 1.00 0.00 C ATOM 344 C SER A 29 -15.770 -0.190 -0.630 1.00 0.00 C ATOM 345 O SER A 29 -16.805 0.474 -0.691 1.00 0.00 O ATOM 346 CB SER A 29 -17.259 -2.152 -0.190 1.00 0.00 C ATOM 347 OG SER A 29 -17.812 -1.453 0.911 1.00 0.00 O ATOM 0 H SER A 29 -14.283 -2.868 0.368 1.00 0.00 H new ATOM 0 HA SER A 29 -15.469 -2.170 -1.381 1.00 0.00 H new ATOM 0 HB2 SER A 29 -17.868 -1.980 -1.077 1.00 0.00 H new ATOM 0 HB3 SER A 29 -17.280 -3.224 0.008 1.00 0.00 H new ATOM 0 HG SER A 29 -17.115 -0.914 1.339 1.00 0.00 H new ATOM 353 N LEU A 30 -14.559 0.350 -0.705 1.00 0.00 N ATOM 354 CA LEU A 30 -14.371 1.787 -0.868 1.00 0.00 C ATOM 355 C LEU A 30 -12.961 2.100 -1.360 1.00 0.00 C ATOM 356 O LEU A 30 -11.974 1.532 -0.893 1.00 0.00 O ATOM 357 CB LEU A 30 -14.634 2.510 0.454 1.00 0.00 C ATOM 358 CG LEU A 30 -14.468 4.029 0.434 1.00 0.00 C ATOM 359 CD1 LEU A 30 -15.788 4.706 0.100 1.00 0.00 C ATOM 360 CD2 LEU A 30 -13.934 4.526 1.770 1.00 0.00 C ATOM 0 H LEU A 30 -13.692 -0.186 -0.656 1.00 0.00 H new ATOM 0 HA LEU A 30 -15.083 2.138 -1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.650 2.280 0.775 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.962 2.101 1.208 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.745 4.286 -0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -15.650 5.787 0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -16.129 4.375 -0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -16.533 4.442 0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.822 5.610 1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -14.632 4.257 2.563 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.965 4.067 1.968 1.00 0.00 H new ATOM 372 N PRO A 31 -12.863 3.027 -2.325 1.00 0.00 N ATOM 373 CA PRO A 31 -11.579 3.438 -2.900 1.00 0.00 C ATOM 374 C PRO A 31 -10.731 4.234 -1.913 1.00 0.00 C ATOM 375 O PRO A 31 -10.980 5.417 -1.678 1.00 0.00 O ATOM 376 CB PRO A 31 -11.986 4.317 -4.085 1.00 0.00 C ATOM 377 CG PRO A 31 -13.337 4.833 -3.728 1.00 0.00 C ATOM 378 CD PRO A 31 -13.998 3.744 -2.929 1.00 0.00 C ATOM 0 HA PRO A 31 -10.964 2.582 -3.178 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -11.278 5.132 -4.235 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -12.013 3.744 -5.012 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -13.263 5.753 -3.148 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.915 5.066 -4.622 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -14.666 4.151 -2.170 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -14.597 3.089 -3.561 1.00 0.00 H new ATOM 386 N VAL A 32 -9.728 3.578 -1.339 1.00 0.00 N ATOM 387 CA VAL A 32 -8.842 4.225 -0.379 1.00 0.00 C ATOM 388 C VAL A 32 -7.437 4.386 -0.949 1.00 0.00 C ATOM 389 O VAL A 32 -6.943 3.513 -1.662 1.00 0.00 O ATOM 390 CB VAL A 32 -8.762 3.429 0.937 1.00 0.00 C ATOM 391 CG1 VAL A 32 -7.964 2.149 0.739 1.00 0.00 C ATOM 392 CG2 VAL A 32 -8.152 4.281 2.040 1.00 0.00 C ATOM 0 H VAL A 32 -9.509 2.599 -1.522 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.263 5.209 -0.174 1.00 0.00 H new ATOM 0 HB VAL A 32 -9.774 3.156 1.238 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.918 1.600 1.679 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.448 1.532 -0.018 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.954 2.397 0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.104 3.702 2.962 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.147 4.586 1.750 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.768 5.166 2.199 1.00 0.00 H new ATOM 402 N GLU A 33 -6.799 5.508 -0.629 1.00 0.00 N ATOM 403 CA GLU A 33 -5.450 5.783 -1.110 1.00 0.00 C ATOM 404 C GLU A 33 -4.608 6.441 -0.021 1.00 0.00 C ATOM 405 O GLU A 33 -5.084 7.312 0.706 1.00 0.00 O ATOM 406 CB GLU A 33 -5.500 6.683 -2.346 1.00 0.00 C ATOM 407 CG GLU A 33 -6.255 7.982 -2.123 1.00 0.00 C ATOM 408 CD GLU A 33 -5.851 9.067 -3.103 1.00 0.00 C ATOM 409 OE1 GLU A 33 -5.507 8.727 -4.255 1.00 0.00 O ATOM 410 OE2 GLU A 33 -5.880 10.255 -2.720 1.00 0.00 O ATOM 0 H GLU A 33 -7.194 6.240 -0.039 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.986 4.834 -1.379 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.482 6.914 -2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.968 6.136 -3.164 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.325 7.796 -2.213 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.077 8.331 -1.106 1.00 0.00 H new ATOM 417 N PHE A 34 -3.352 6.017 0.084 1.00 0.00 N ATOM 418 CA PHE A 34 -2.443 6.563 1.085 1.00 0.00 C ATOM 419 C PHE A 34 -1.391 7.456 0.433 1.00 0.00 C ATOM 420 O PHE A 34 -1.409 7.675 -0.778 1.00 0.00 O ATOM 421 CB PHE A 34 -1.761 5.432 1.857 1.00 0.00 C ATOM 422 CG PHE A 34 -1.260 4.323 0.977 1.00 0.00 C ATOM 423 CD1 PHE A 34 -2.123 3.341 0.518 1.00 0.00 C ATOM 424 CD2 PHE A 34 0.075 4.262 0.609 1.00 0.00 C ATOM 425 CE1 PHE A 34 -1.665 2.319 -0.293 1.00 0.00 C ATOM 426 CE2 PHE A 34 0.538 3.242 -0.201 1.00 0.00 C ATOM 427 CZ PHE A 34 -0.332 2.269 -0.651 1.00 0.00 C ATOM 0 H PHE A 34 -2.941 5.298 -0.511 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.027 7.166 1.780 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.925 5.842 2.423 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -2.465 5.021 2.581 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.166 3.374 0.797 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.761 5.019 0.959 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.349 1.561 -0.646 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.580 3.206 -0.482 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.029 1.470 -1.282 1.00 0.00 H new ATOM 437 N THR A 35 -0.473 7.970 1.247 1.00 0.00 N ATOM 438 CA THR A 35 0.586 8.840 0.752 1.00 0.00 C ATOM 439 C THR A 35 1.945 8.416 1.297 1.00 0.00 C ATOM 440 O THR A 35 2.157 8.388 2.509 1.00 0.00 O ATOM 441 CB THR A 35 0.329 10.310 1.133 1.00 0.00 C ATOM 442 OG1 THR A 35 -0.911 10.752 0.570 1.00 0.00 O ATOM 443 CG2 THR A 35 1.460 11.202 0.643 1.00 0.00 C ATOM 0 H THR A 35 -0.442 7.798 2.252 1.00 0.00 H new ATOM 0 HA THR A 35 0.588 8.749 -0.334 1.00 0.00 H new ATOM 0 HB THR A 35 0.279 10.377 2.220 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.068 11.687 0.818 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.256 12.235 0.924 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.398 10.881 1.095 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.537 11.129 -0.442 1.00 0.00 H new ATOM 451 N ILE A 36 2.863 8.088 0.394 1.00 0.00 N ATOM 452 CA ILE A 36 4.202 7.667 0.785 1.00 0.00 C ATOM 453 C ILE A 36 5.187 8.829 0.712 1.00 0.00 C ATOM 454 O ILE A 36 5.778 9.091 -0.335 1.00 0.00 O ATOM 455 CB ILE A 36 4.714 6.519 -0.105 1.00 0.00 C ATOM 456 CG1 ILE A 36 3.680 5.393 -0.169 1.00 0.00 C ATOM 457 CG2 ILE A 36 6.044 5.995 0.418 1.00 0.00 C ATOM 458 CD1 ILE A 36 3.652 4.528 1.071 1.00 0.00 C ATOM 0 H ILE A 36 2.704 8.106 -0.613 1.00 0.00 H new ATOM 0 HA ILE A 36 4.134 7.315 1.814 1.00 0.00 H new ATOM 0 HB ILE A 36 4.868 6.903 -1.113 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.692 5.826 -0.322 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.891 4.766 -1.035 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.393 5.184 -0.222 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.779 6.800 0.416 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.915 5.625 1.435 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.896 3.751 0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.629 4.066 1.214 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.411 5.143 1.938 1.00 0.00 H new ATOM 470 N ASP A 37 5.359 9.522 1.833 1.00 0.00 N ATOM 471 CA ASP A 37 6.274 10.655 1.898 1.00 0.00 C ATOM 472 C ASP A 37 7.716 10.181 2.051 1.00 0.00 C ATOM 473 O ASP A 37 8.182 9.928 3.162 1.00 0.00 O ATOM 474 CB ASP A 37 5.900 11.574 3.062 1.00 0.00 C ATOM 475 CG ASP A 37 4.603 12.319 2.817 1.00 0.00 C ATOM 476 OD1 ASP A 37 3.537 11.669 2.809 1.00 0.00 O ATOM 477 OD2 ASP A 37 4.653 13.554 2.635 1.00 0.00 O ATOM 0 H ASP A 37 4.877 9.319 2.708 1.00 0.00 H new ATOM 0 HA ASP A 37 6.191 11.212 0.965 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.810 10.983 3.973 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.703 12.293 3.226 1.00 0.00 H new ATOM 482 N ALA A 38 8.417 10.062 0.928 1.00 0.00 N ATOM 483 CA ALA A 38 9.806 9.619 0.938 1.00 0.00 C ATOM 484 C ALA A 38 10.695 10.584 0.162 1.00 0.00 C ATOM 485 O ALA A 38 10.523 10.770 -1.042 1.00 0.00 O ATOM 486 CB ALA A 38 9.916 8.216 0.360 1.00 0.00 C ATOM 0 H ALA A 38 8.046 10.266 0.000 1.00 0.00 H new ATOM 0 HA ALA A 38 10.149 9.602 1.972 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.958 7.898 0.373 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.319 7.528 0.958 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.550 8.216 -0.667 1.00 0.00 H new ATOM 492 N ARG A 39 11.646 11.197 0.860 1.00 0.00 N ATOM 493 CA ARG A 39 12.561 12.145 0.237 1.00 0.00 C ATOM 494 C ARG A 39 13.855 11.454 -0.185 1.00 0.00 C ATOM 495 O ARG A 39 14.228 11.478 -1.358 1.00 0.00 O ATOM 496 CB ARG A 39 12.874 13.292 1.199 1.00 0.00 C ATOM 497 CG ARG A 39 11.638 14.027 1.693 1.00 0.00 C ATOM 498 CD ARG A 39 11.146 13.461 3.016 1.00 0.00 C ATOM 499 NE ARG A 39 12.017 13.832 4.128 1.00 0.00 N ATOM 500 CZ ARG A 39 11.955 15.004 4.751 1.00 0.00 C ATOM 501 NH1 ARG A 39 11.067 15.913 4.372 1.00 0.00 N ATOM 502 NH2 ARG A 39 12.782 15.268 5.754 1.00 0.00 N ATOM 0 H ARG A 39 11.802 11.054 1.858 1.00 0.00 H new ATOM 0 HA ARG A 39 12.077 12.548 -0.653 1.00 0.00 H new ATOM 0 HB2 ARG A 39 13.419 12.897 2.057 1.00 0.00 H new ATOM 0 HB3 ARG A 39 13.534 14.002 0.701 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.866 15.086 1.811 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.847 13.953 0.947 1.00 0.00 H new ATOM 0 HD2 ARG A 39 10.136 13.821 3.211 1.00 0.00 H new ATOM 0 HD3 ARG A 39 11.089 12.375 2.947 1.00 0.00 H new ATOM 0 HE ARG A 39 12.711 13.154 4.444 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.430 15.713 3.601 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.021 16.812 4.852 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.466 14.571 6.048 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.734 16.168 6.232 1.00 0.00 H new ATOM 516 N ASP A 40 14.534 10.841 0.778 1.00 0.00 N ATOM 517 CA ASP A 40 15.785 10.143 0.506 1.00 0.00 C ATOM 518 C ASP A 40 15.550 8.643 0.358 1.00 0.00 C ATOM 519 O ASP A 40 16.391 7.832 0.743 1.00 0.00 O ATOM 520 CB ASP A 40 16.793 10.406 1.626 1.00 0.00 C ATOM 521 CG ASP A 40 17.427 11.779 1.525 1.00 0.00 C ATOM 522 OD1 ASP A 40 17.429 12.350 0.415 1.00 0.00 O ATOM 523 OD2 ASP A 40 17.921 12.283 2.556 1.00 0.00 O ATOM 0 H ASP A 40 14.239 10.813 1.754 1.00 0.00 H new ATOM 0 HA ASP A 40 16.188 10.523 -0.433 1.00 0.00 H new ATOM 0 HB2 ASP A 40 16.293 10.310 2.590 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.573 9.646 1.594 1.00 0.00 H new ATOM 528 N ALA A 41 14.400 8.283 -0.202 1.00 0.00 N ATOM 529 CA ALA A 41 14.054 6.881 -0.403 1.00 0.00 C ATOM 530 C ALA A 41 15.032 6.205 -1.358 1.00 0.00 C ATOM 531 O ALA A 41 15.185 4.985 -1.345 1.00 0.00 O ATOM 532 CB ALA A 41 12.631 6.758 -0.926 1.00 0.00 C ATOM 0 H ALA A 41 13.692 8.943 -0.525 1.00 0.00 H new ATOM 0 HA ALA A 41 14.120 6.375 0.560 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.386 5.706 -1.071 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.940 7.195 -0.206 1.00 0.00 H new ATOM 0 HB3 ALA A 41 12.546 7.285 -1.876 1.00 0.00 H new ATOM 538 N GLY A 42 15.692 7.008 -2.188 1.00 0.00 N ATOM 539 CA GLY A 42 16.646 6.470 -3.140 1.00 0.00 C ATOM 540 C GLY A 42 16.335 6.877 -4.566 1.00 0.00 C ATOM 541 O GLY A 42 15.281 7.451 -4.838 1.00 0.00 O ATOM 0 H GLY A 42 15.583 8.022 -2.218 1.00 0.00 H new ATOM 0 HA2 GLY A 42 17.648 6.811 -2.878 1.00 0.00 H new ATOM 0 HA3 GLY A 42 16.651 5.382 -3.069 1.00 0.00 H new ATOM 545 N GLU A 43 17.255 6.581 -5.478 1.00 0.00 N ATOM 546 CA GLU A 43 17.074 6.923 -6.884 1.00 0.00 C ATOM 547 C GLU A 43 16.486 5.747 -7.659 1.00 0.00 C ATOM 548 O GLU A 43 17.061 5.291 -8.647 1.00 0.00 O ATOM 549 CB GLU A 43 18.408 7.342 -7.506 1.00 0.00 C ATOM 550 CG GLU A 43 18.266 7.975 -8.880 1.00 0.00 C ATOM 551 CD GLU A 43 19.543 8.647 -9.347 1.00 0.00 C ATOM 552 OE1 GLU A 43 19.768 9.817 -8.973 1.00 0.00 O ATOM 553 OE2 GLU A 43 20.317 8.004 -10.087 1.00 0.00 O ATOM 0 H GLU A 43 18.133 6.105 -5.269 1.00 0.00 H new ATOM 0 HA GLU A 43 16.376 7.759 -6.941 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.904 8.047 -6.840 1.00 0.00 H new ATOM 0 HB3 GLU A 43 19.054 6.468 -7.583 1.00 0.00 H new ATOM 0 HG2 GLU A 43 17.978 7.210 -9.601 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.461 8.709 -8.856 1.00 0.00 H new ATOM 560 N GLY A 44 15.336 5.260 -7.203 1.00 0.00 N ATOM 561 CA GLY A 44 14.690 4.141 -7.863 1.00 0.00 C ATOM 562 C GLY A 44 13.204 4.365 -8.062 1.00 0.00 C ATOM 563 O GLY A 44 12.732 5.503 -8.042 1.00 0.00 O ATOM 0 H GLY A 44 14.840 5.621 -6.388 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.162 3.972 -8.831 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.842 3.238 -7.272 1.00 0.00 H new ATOM 567 N LEU A 45 12.464 3.279 -8.257 1.00 0.00 N ATOM 568 CA LEU A 45 11.023 3.362 -8.462 1.00 0.00 C ATOM 569 C LEU A 45 10.271 2.646 -7.344 1.00 0.00 C ATOM 570 O LEU A 45 10.591 1.509 -6.995 1.00 0.00 O ATOM 571 CB LEU A 45 10.645 2.756 -9.815 1.00 0.00 C ATOM 572 CG LEU A 45 10.649 1.228 -9.891 1.00 0.00 C ATOM 573 CD1 LEU A 45 9.285 0.671 -9.515 1.00 0.00 C ATOM 574 CD2 LEU A 45 11.052 0.765 -11.283 1.00 0.00 C ATOM 0 H LEU A 45 12.839 2.331 -8.277 1.00 0.00 H new ATOM 0 HA LEU A 45 10.739 4.414 -8.449 1.00 0.00 H new ATOM 0 HB2 LEU A 45 9.650 3.111 -10.084 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.334 3.139 -10.567 1.00 0.00 H new ATOM 0 HG LEU A 45 11.381 0.849 -9.178 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.307 -0.417 -9.575 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.036 0.973 -8.498 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.532 1.057 -10.202 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.050 -0.324 -11.319 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.344 1.154 -12.015 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.052 1.133 -11.514 1.00 0.00 H new ATOM 586 N LEU A 46 9.271 3.319 -6.786 1.00 0.00 N ATOM 587 CA LEU A 46 8.471 2.747 -5.708 1.00 0.00 C ATOM 588 C LEU A 46 7.501 1.700 -6.246 1.00 0.00 C ATOM 589 O LEU A 46 6.958 1.846 -7.342 1.00 0.00 O ATOM 590 CB LEU A 46 7.699 3.848 -4.979 1.00 0.00 C ATOM 591 CG LEU A 46 6.666 3.378 -3.955 1.00 0.00 C ATOM 592 CD1 LEU A 46 7.336 3.071 -2.624 1.00 0.00 C ATOM 593 CD2 LEU A 46 5.577 4.426 -3.776 1.00 0.00 C ATOM 0 H LEU A 46 8.995 4.261 -7.062 1.00 0.00 H new ATOM 0 HA LEU A 46 9.148 2.261 -5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.417 4.492 -4.472 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.191 4.461 -5.723 1.00 0.00 H new ATOM 0 HG LEU A 46 6.205 2.463 -4.327 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.585 2.738 -1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.079 2.285 -2.763 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.824 3.969 -2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.850 4.074 -3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.022 5.358 -3.427 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.077 4.598 -4.729 1.00 0.00 H new ATOM 605 N THR A 47 7.284 0.645 -5.467 1.00 0.00 N ATOM 606 CA THR A 47 6.378 -0.425 -5.864 1.00 0.00 C ATOM 607 C THR A 47 5.427 -0.789 -4.730 1.00 0.00 C ATOM 608 O THR A 47 5.828 -0.858 -3.568 1.00 0.00 O ATOM 609 CB THR A 47 7.153 -1.686 -6.294 1.00 0.00 C ATOM 610 OG1 THR A 47 8.072 -2.070 -5.266 1.00 0.00 O ATOM 611 CG2 THR A 47 7.908 -1.440 -7.591 1.00 0.00 C ATOM 0 H THR A 47 7.724 0.509 -4.557 1.00 0.00 H new ATOM 0 HA THR A 47 5.802 -0.054 -6.712 1.00 0.00 H new ATOM 0 HB THR A 47 6.435 -2.490 -6.457 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.733 -1.358 -5.135 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.447 -2.344 -7.875 1.00 0.00 H new ATOM 0 HG22 THR A 47 7.202 -1.176 -8.379 1.00 0.00 H new ATOM 0 HG23 THR A 47 8.616 -0.624 -7.450 1.00 0.00 H new ATOM 619 N VAL A 48 4.164 -1.022 -5.074 1.00 0.00 N ATOM 620 CA VAL A 48 3.156 -1.382 -4.085 1.00 0.00 C ATOM 621 C VAL A 48 2.313 -2.559 -4.562 1.00 0.00 C ATOM 622 O VAL A 48 1.898 -2.609 -5.720 1.00 0.00 O ATOM 623 CB VAL A 48 2.228 -0.193 -3.773 1.00 0.00 C ATOM 624 CG1 VAL A 48 1.156 -0.600 -2.773 1.00 0.00 C ATOM 625 CG2 VAL A 48 3.032 0.988 -3.252 1.00 0.00 C ATOM 0 H VAL A 48 3.815 -0.968 -6.031 1.00 0.00 H new ATOM 0 HA VAL A 48 3.689 -1.666 -3.178 1.00 0.00 H new ATOM 0 HB VAL A 48 1.734 0.111 -4.696 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.510 0.253 -2.565 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.561 -1.413 -3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.628 -0.932 -1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.360 1.819 -3.037 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.555 0.699 -2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.758 1.294 -4.005 1.00 0.00 H new ATOM 635 N GLN A 49 2.063 -3.504 -3.662 1.00 0.00 N ATOM 636 CA GLN A 49 1.269 -4.682 -3.991 1.00 0.00 C ATOM 637 C GLN A 49 0.348 -5.058 -2.836 1.00 0.00 C ATOM 638 O GLN A 49 0.753 -5.033 -1.673 1.00 0.00 O ATOM 639 CB GLN A 49 2.182 -5.859 -4.335 1.00 0.00 C ATOM 640 CG GLN A 49 1.429 -7.113 -4.749 1.00 0.00 C ATOM 641 CD GLN A 49 0.934 -7.050 -6.181 1.00 0.00 C ATOM 642 OE1 GLN A 49 -0.106 -6.454 -6.465 1.00 0.00 O ATOM 643 NE2 GLN A 49 1.677 -7.666 -7.092 1.00 0.00 N ATOM 0 H GLN A 49 2.399 -3.477 -2.699 1.00 0.00 H new ATOM 0 HA GLN A 49 0.654 -4.443 -4.859 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.852 -5.564 -5.143 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.806 -6.089 -3.471 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.080 -7.979 -4.631 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.580 -7.260 -4.081 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.531 -8.148 -6.812 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.394 -7.658 -8.072 1.00 0.00 H new ATOM 652 N ILE A 50 -0.892 -5.406 -3.163 1.00 0.00 N ATOM 653 CA ILE A 50 -1.870 -5.788 -2.152 1.00 0.00 C ATOM 654 C ILE A 50 -2.414 -7.189 -2.414 1.00 0.00 C ATOM 655 O ILE A 50 -2.768 -7.527 -3.544 1.00 0.00 O ATOM 656 CB ILE A 50 -3.046 -4.795 -2.101 1.00 0.00 C ATOM 657 CG1 ILE A 50 -2.526 -3.363 -1.952 1.00 0.00 C ATOM 658 CG2 ILE A 50 -3.987 -5.145 -0.958 1.00 0.00 C ATOM 659 CD1 ILE A 50 -3.600 -2.311 -2.115 1.00 0.00 C ATOM 0 H ILE A 50 -1.243 -5.431 -4.120 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.352 -5.775 -1.193 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.602 -4.865 -3.036 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.066 -3.252 -0.970 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.744 -3.190 -2.691 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.813 -4.434 -0.936 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.379 -6.151 -1.105 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.445 -5.101 -0.014 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.160 -1.321 -1.997 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.044 -2.395 -3.107 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.371 -2.458 -1.359 1.00 0.00 H new ATOM 671 N LEU A 51 -2.478 -7.999 -1.363 1.00 0.00 N ATOM 672 CA LEU A 51 -2.980 -9.363 -1.479 1.00 0.00 C ATOM 673 C LEU A 51 -4.232 -9.557 -0.629 1.00 0.00 C ATOM 674 O LEU A 51 -4.175 -9.502 0.600 1.00 0.00 O ATOM 675 CB LEU A 51 -1.902 -10.362 -1.054 1.00 0.00 C ATOM 676 CG LEU A 51 -0.627 -10.373 -1.898 1.00 0.00 C ATOM 677 CD1 LEU A 51 0.231 -11.581 -1.554 1.00 0.00 C ATOM 678 CD2 LEU A 51 -0.970 -10.366 -3.381 1.00 0.00 C ATOM 0 H LEU A 51 -2.189 -7.735 -0.421 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.240 -9.540 -2.522 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.628 -10.152 -0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.335 -11.362 -1.072 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.057 -9.472 -1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.134 -11.572 -2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.506 -11.544 -0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.331 -12.494 -1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.051 -10.374 -3.967 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.562 -11.249 -3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.543 -9.470 -3.618 1.00 0.00 H new ATOM 690 N ASP A 52 -5.361 -9.784 -1.291 1.00 0.00 N ATOM 691 CA ASP A 52 -6.627 -9.989 -0.596 1.00 0.00 C ATOM 692 C ASP A 52 -6.433 -10.864 0.639 1.00 0.00 C ATOM 693 O ASP A 52 -5.427 -11.557 0.788 1.00 0.00 O ATOM 694 CB ASP A 52 -7.650 -10.630 -1.535 1.00 0.00 C ATOM 695 CG ASP A 52 -6.999 -11.479 -2.608 1.00 0.00 C ATOM 696 OD1 ASP A 52 -6.682 -10.933 -3.686 1.00 0.00 O ATOM 697 OD2 ASP A 52 -6.807 -12.690 -2.372 1.00 0.00 O ATOM 0 H ASP A 52 -5.426 -9.831 -2.308 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.999 -9.016 -0.275 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.335 -11.247 -0.954 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.246 -9.848 -2.006 1.00 0.00 H new ATOM 702 N PRO A 53 -7.419 -10.831 1.547 1.00 0.00 N ATOM 703 CA PRO A 53 -7.381 -11.615 2.786 1.00 0.00 C ATOM 704 C PRO A 53 -7.532 -13.110 2.531 1.00 0.00 C ATOM 705 O PRO A 53 -7.645 -13.900 3.467 1.00 0.00 O ATOM 706 CB PRO A 53 -8.577 -11.084 3.579 1.00 0.00 C ATOM 707 CG PRO A 53 -9.513 -10.557 2.546 1.00 0.00 C ATOM 708 CD PRO A 53 -8.648 -10.028 1.435 1.00 0.00 C ATOM 0 HA PRO A 53 -6.428 -11.511 3.305 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -9.043 -11.873 4.169 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.275 -10.302 4.275 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.177 -11.342 2.184 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -10.145 -9.770 2.957 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.123 -10.154 0.462 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.445 -8.964 1.556 1.00 0.00 H new ATOM 716 N GLU A 54 -7.533 -13.492 1.257 1.00 0.00 N ATOM 717 CA GLU A 54 -7.671 -14.894 0.880 1.00 0.00 C ATOM 718 C GLU A 54 -6.336 -15.465 0.410 1.00 0.00 C ATOM 719 O GLU A 54 -6.052 -16.646 0.601 1.00 0.00 O ATOM 720 CB GLU A 54 -8.721 -15.047 -0.222 1.00 0.00 C ATOM 721 CG GLU A 54 -10.120 -14.642 0.209 1.00 0.00 C ATOM 722 CD GLU A 54 -10.771 -15.667 1.117 1.00 0.00 C ATOM 723 OE1 GLU A 54 -10.349 -15.773 2.288 1.00 0.00 O ATOM 724 OE2 GLU A 54 -11.701 -16.362 0.658 1.00 0.00 O ATOM 0 H GLU A 54 -7.440 -12.850 0.469 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.994 -15.451 1.760 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.425 -14.443 -1.080 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.739 -16.085 -0.554 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.074 -13.683 0.725 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.741 -14.499 -0.675 1.00 0.00 H new ATOM 731 N GLY A 55 -5.520 -14.615 -0.206 1.00 0.00 N ATOM 732 CA GLY A 55 -4.225 -15.053 -0.695 1.00 0.00 C ATOM 733 C GLY A 55 -4.098 -14.919 -2.199 1.00 0.00 C ATOM 734 O GLY A 55 -3.514 -15.778 -2.860 1.00 0.00 O ATOM 0 H GLY A 55 -5.732 -13.632 -0.375 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.441 -14.468 -0.214 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.066 -16.093 -0.411 1.00 0.00 H new ATOM 738 N LYS A 56 -4.648 -13.839 -2.745 1.00 0.00 N ATOM 739 CA LYS A 56 -4.595 -13.595 -4.181 1.00 0.00 C ATOM 740 C LYS A 56 -4.128 -12.173 -4.474 1.00 0.00 C ATOM 741 O LYS A 56 -4.316 -11.255 -3.675 1.00 0.00 O ATOM 742 CB LYS A 56 -5.969 -13.832 -4.811 1.00 0.00 C ATOM 743 CG LYS A 56 -6.634 -15.119 -4.353 1.00 0.00 C ATOM 744 CD LYS A 56 -6.002 -16.336 -5.006 1.00 0.00 C ATOM 745 CE LYS A 56 -6.614 -17.628 -4.487 1.00 0.00 C ATOM 746 NZ LYS A 56 -5.677 -18.778 -4.618 1.00 0.00 N ATOM 0 H LYS A 56 -5.136 -13.118 -2.213 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.878 -14.291 -4.616 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.620 -12.991 -4.571 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.863 -13.853 -5.896 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.555 -15.205 -3.269 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.697 -15.086 -4.594 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.132 -16.279 -6.087 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.929 -16.337 -4.814 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.892 -17.503 -3.440 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.531 -17.842 -5.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.132 -19.639 -4.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.432 -18.913 -5.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.813 -18.585 -4.073 1.00 0.00 H new ATOM 760 N PRO A 57 -3.507 -11.983 -5.647 1.00 0.00 N ATOM 761 CA PRO A 57 -3.002 -10.674 -6.073 1.00 0.00 C ATOM 762 C PRO A 57 -4.128 -9.698 -6.400 1.00 0.00 C ATOM 763 O PRO A 57 -5.094 -10.051 -7.076 1.00 0.00 O ATOM 764 CB PRO A 57 -2.193 -10.998 -7.332 1.00 0.00 C ATOM 765 CG PRO A 57 -2.794 -12.256 -7.855 1.00 0.00 C ATOM 766 CD PRO A 57 -3.248 -13.031 -6.649 1.00 0.00 C ATOM 0 HA PRO A 57 -2.421 -10.187 -5.290 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.260 -10.193 -8.064 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.136 -11.131 -7.100 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.631 -12.042 -8.519 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.066 -12.825 -8.433 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.144 -13.615 -6.860 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -2.484 -13.731 -6.310 1.00 0.00 H new ATOM 774 N LYS A 58 -3.996 -8.467 -5.916 1.00 0.00 N ATOM 775 CA LYS A 58 -5.000 -7.438 -6.158 1.00 0.00 C ATOM 776 C LYS A 58 -4.486 -6.398 -7.149 1.00 0.00 C ATOM 777 O LYS A 58 -3.371 -6.509 -7.659 1.00 0.00 O ATOM 778 CB LYS A 58 -5.389 -6.757 -4.844 1.00 0.00 C ATOM 779 CG LYS A 58 -6.113 -7.675 -3.874 1.00 0.00 C ATOM 780 CD LYS A 58 -7.511 -8.014 -4.366 1.00 0.00 C ATOM 781 CE LYS A 58 -8.424 -6.798 -4.331 1.00 0.00 C ATOM 782 NZ LYS A 58 -9.857 -7.183 -4.208 1.00 0.00 N ATOM 0 H LYS A 58 -3.203 -8.158 -5.354 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.880 -7.918 -6.586 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.489 -6.372 -4.364 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.025 -5.900 -5.063 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.540 -8.593 -3.743 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.176 -7.196 -2.897 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.456 -8.400 -5.384 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.934 -8.806 -3.747 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.146 -6.160 -3.492 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.282 -6.211 -5.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.446 -6.326 -4.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.129 -7.771 -5.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.998 -7.721 -3.329 1.00 0.00 H new ATOM 796 N LYS A 59 -5.306 -5.387 -7.416 1.00 0.00 N ATOM 797 CA LYS A 59 -4.934 -4.325 -8.343 1.00 0.00 C ATOM 798 C LYS A 59 -4.664 -3.022 -7.598 1.00 0.00 C ATOM 799 O LYS A 59 -5.552 -2.473 -6.946 1.00 0.00 O ATOM 800 CB LYS A 59 -6.041 -4.113 -9.379 1.00 0.00 C ATOM 801 CG LYS A 59 -5.667 -3.132 -10.476 1.00 0.00 C ATOM 802 CD LYS A 59 -6.422 -3.420 -11.763 1.00 0.00 C ATOM 803 CE LYS A 59 -7.844 -2.883 -11.707 1.00 0.00 C ATOM 804 NZ LYS A 59 -8.771 -3.678 -12.560 1.00 0.00 N ATOM 0 H LYS A 59 -6.233 -5.281 -7.003 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.020 -4.627 -8.854 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.292 -5.072 -9.831 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.937 -3.755 -8.873 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.883 -2.116 -10.146 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.594 -3.185 -10.663 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.895 -2.970 -12.604 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.445 -4.495 -11.940 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.197 -2.897 -10.676 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.853 -1.843 -12.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.730 -3.280 -12.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.449 -3.644 -13.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.783 -4.665 -12.233 1.00 0.00 H new ATOM 818 N ALA A 60 -3.433 -2.530 -7.701 1.00 0.00 N ATOM 819 CA ALA A 60 -3.048 -1.290 -7.039 1.00 0.00 C ATOM 820 C ALA A 60 -2.477 -0.290 -8.038 1.00 0.00 C ATOM 821 O ALA A 60 -1.897 -0.674 -9.053 1.00 0.00 O ATOM 822 CB ALA A 60 -2.040 -1.571 -5.935 1.00 0.00 C ATOM 0 H ALA A 60 -2.686 -2.972 -8.237 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.942 -0.851 -6.595 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.762 -0.636 -5.450 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.483 -2.243 -5.200 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.152 -2.036 -6.363 1.00 0.00 H new ATOM 828 N ASN A 61 -2.644 0.995 -7.744 1.00 0.00 N ATOM 829 CA ASN A 61 -2.145 2.051 -8.617 1.00 0.00 C ATOM 830 C ASN A 61 -1.109 2.909 -7.898 1.00 0.00 C ATOM 831 O ASN A 61 -1.174 3.089 -6.682 1.00 0.00 O ATOM 832 CB ASN A 61 -3.301 2.929 -9.103 1.00 0.00 C ATOM 833 CG ASN A 61 -4.316 2.150 -9.916 1.00 0.00 C ATOM 834 OD1 ASN A 61 -5.006 1.219 -9.266 1.00 0.00 O flip ATOM 835 ND2 ASN A 61 -4.479 2.382 -11.114 1.00 0.00 N flip ATOM 0 H ASN A 61 -3.121 1.330 -6.907 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.667 1.581 -9.477 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -3.797 3.380 -8.244 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.905 3.745 -9.707 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -3.927 3.107 -11.573 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.166 1.850 -11.648 1.00 0.00 H new ATOM 842 N ILE A 62 -0.153 3.434 -8.657 1.00 0.00 N ATOM 843 CA ILE A 62 0.896 4.273 -8.093 1.00 0.00 C ATOM 844 C ILE A 62 1.049 5.568 -8.883 1.00 0.00 C ATOM 845 O ILE A 62 0.976 5.569 -10.112 1.00 0.00 O ATOM 846 CB ILE A 62 2.250 3.539 -8.063 1.00 0.00 C ATOM 847 CG1 ILE A 62 2.134 2.243 -7.259 1.00 0.00 C ATOM 848 CG2 ILE A 62 3.327 4.439 -7.477 1.00 0.00 C ATOM 849 CD1 ILE A 62 3.076 1.156 -7.727 1.00 0.00 C ATOM 0 H ILE A 62 -0.084 3.293 -9.665 1.00 0.00 H new ATOM 0 HA ILE A 62 0.597 4.507 -7.071 1.00 0.00 H new ATOM 0 HB ILE A 62 2.533 3.286 -9.085 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.332 2.457 -6.209 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.109 1.877 -7.321 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.278 3.906 -7.462 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.423 5.337 -8.088 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.053 4.720 -6.460 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.939 0.266 -7.112 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.863 0.914 -8.768 1.00 0.00 H new ATOM 0 HD13 ILE A 62 4.105 1.504 -7.638 1.00 0.00 H new ATOM 861 N ARG A 63 1.265 6.669 -8.170 1.00 0.00 N ATOM 862 CA ARG A 63 1.429 7.971 -8.805 1.00 0.00 C ATOM 863 C ARG A 63 2.664 8.686 -8.265 1.00 0.00 C ATOM 864 O ARG A 63 2.976 8.598 -7.078 1.00 0.00 O ATOM 865 CB ARG A 63 0.187 8.834 -8.578 1.00 0.00 C ATOM 866 CG ARG A 63 0.316 10.245 -9.128 1.00 0.00 C ATOM 867 CD ARG A 63 -0.031 10.300 -10.607 1.00 0.00 C ATOM 868 NE ARG A 63 0.602 11.433 -11.276 1.00 0.00 N ATOM 869 CZ ARG A 63 0.645 11.578 -12.596 1.00 0.00 C ATOM 870 NH1 ARG A 63 0.093 10.665 -13.384 1.00 0.00 N ATOM 871 NH2 ARG A 63 1.240 12.637 -13.130 1.00 0.00 N ATOM 0 H ARG A 63 1.330 6.685 -7.152 1.00 0.00 H new ATOM 0 HA ARG A 63 1.560 7.811 -9.875 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.672 8.349 -9.043 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.017 8.887 -7.509 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.342 10.914 -8.574 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.335 10.603 -8.979 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.283 9.374 -11.088 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.113 10.369 -10.723 1.00 0.00 H new ATOM 0 HE ARG A 63 1.035 12.153 -10.698 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.366 9.850 -12.977 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.127 10.778 -14.397 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.665 13.341 -12.527 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.272 12.747 -14.144 1.00 0.00 H new ATOM 885 N ASP A 64 3.363 9.394 -9.146 1.00 0.00 N ATOM 886 CA ASP A 64 4.564 10.126 -8.758 1.00 0.00 C ATOM 887 C ASP A 64 4.246 11.596 -8.504 1.00 0.00 C ATOM 888 O ASP A 64 3.675 12.274 -9.357 1.00 0.00 O ATOM 889 CB ASP A 64 5.635 10.002 -9.844 1.00 0.00 C ATOM 890 CG ASP A 64 5.858 8.567 -10.277 1.00 0.00 C ATOM 891 OD1 ASP A 64 6.369 7.773 -9.460 1.00 0.00 O ATOM 892 OD2 ASP A 64 5.520 8.237 -11.433 1.00 0.00 O ATOM 0 H ASP A 64 3.119 9.477 -10.133 1.00 0.00 H new ATOM 0 HA ASP A 64 4.943 9.691 -7.833 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.342 10.598 -10.709 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.573 10.417 -9.474 1.00 0.00 H new ATOM 897 N ASN A 65 4.619 12.081 -7.325 1.00 0.00 N ATOM 898 CA ASN A 65 4.373 13.471 -6.957 1.00 0.00 C ATOM 899 C ASN A 65 5.548 14.357 -7.358 1.00 0.00 C ATOM 900 O ASN A 65 5.364 15.495 -7.786 1.00 0.00 O ATOM 901 CB ASN A 65 4.123 13.586 -5.452 1.00 0.00 C ATOM 902 CG ASN A 65 2.657 13.432 -5.096 1.00 0.00 C ATOM 903 OD1 ASN A 65 2.249 12.208 -4.783 1.00 0.00 O flip ATOM 904 ND2 ASN A 65 1.900 14.403 -5.103 1.00 0.00 N flip ATOM 0 H ASN A 65 5.093 11.532 -6.607 1.00 0.00 H new ATOM 0 HA ASN A 65 3.486 13.810 -7.493 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.703 12.824 -4.931 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.480 14.554 -5.100 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.257 15.326 -5.350 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.916 14.284 -4.862 1.00 0.00 H new ATOM 911 N GLY A 66 6.759 13.824 -7.216 1.00 0.00 N ATOM 912 CA GLY A 66 7.947 14.579 -7.568 1.00 0.00 C ATOM 913 C GLY A 66 8.453 15.432 -6.421 1.00 0.00 C ATOM 914 O GLY A 66 9.633 15.780 -6.371 1.00 0.00 O ATOM 0 H GLY A 66 6.937 12.884 -6.864 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.733 13.890 -7.879 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.727 15.218 -8.423 1.00 0.00 H new ATOM 918 N ASP A 67 7.559 15.770 -5.499 1.00 0.00 N ATOM 919 CA ASP A 67 7.921 16.588 -4.347 1.00 0.00 C ATOM 920 C ASP A 67 8.485 15.724 -3.223 1.00 0.00 C ATOM 921 O ASP A 67 8.334 16.045 -2.045 1.00 0.00 O ATOM 922 CB ASP A 67 6.705 17.369 -3.846 1.00 0.00 C ATOM 923 CG ASP A 67 7.000 18.152 -2.582 1.00 0.00 C ATOM 924 OD1 ASP A 67 7.649 19.215 -2.681 1.00 0.00 O ATOM 925 OD2 ASP A 67 6.581 17.704 -1.495 1.00 0.00 O ATOM 0 H ASP A 67 6.578 15.490 -5.526 1.00 0.00 H new ATOM 0 HA ASP A 67 8.691 17.293 -4.661 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.371 18.055 -4.625 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.885 16.677 -3.658 1.00 0.00 H new ATOM 930 N GLY A 68 9.133 14.625 -3.596 1.00 0.00 N ATOM 931 CA GLY A 68 9.708 13.732 -2.607 1.00 0.00 C ATOM 932 C GLY A 68 8.663 12.871 -1.926 1.00 0.00 C ATOM 933 O GLY A 68 8.839 12.456 -0.780 1.00 0.00 O ATOM 0 H GLY A 68 9.270 14.337 -4.565 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.446 13.090 -3.087 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.237 14.319 -1.856 1.00 0.00 H new ATOM 937 N THR A 69 7.567 12.604 -2.630 1.00 0.00 N ATOM 938 CA THR A 69 6.488 11.791 -2.085 1.00 0.00 C ATOM 939 C THR A 69 5.784 11.003 -3.185 1.00 0.00 C ATOM 940 O THR A 69 6.063 11.188 -4.370 1.00 0.00 O ATOM 941 CB THR A 69 5.451 12.656 -1.345 1.00 0.00 C ATOM 942 OG1 THR A 69 4.800 13.538 -2.267 1.00 0.00 O ATOM 943 CG2 THR A 69 6.112 13.467 -0.241 1.00 0.00 C ATOM 0 H THR A 69 7.404 12.940 -3.579 1.00 0.00 H new ATOM 0 HA THR A 69 6.942 11.097 -1.378 1.00 0.00 H new ATOM 0 HB THR A 69 4.713 11.993 -0.895 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.141 14.083 -1.788 1.00 0.00 H new ATOM 0 HG21 THR A 69 5.360 14.070 0.268 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.581 12.792 0.475 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.869 14.121 -0.673 1.00 0.00 H new ATOM 951 N TYR A 70 4.870 10.127 -2.785 1.00 0.00 N ATOM 952 CA TYR A 70 4.126 9.310 -3.738 1.00 0.00 C ATOM 953 C TYR A 70 2.702 9.063 -3.249 1.00 0.00 C ATOM 954 O TYR A 70 2.398 9.240 -2.069 1.00 0.00 O ATOM 955 CB TYR A 70 4.839 7.975 -3.962 1.00 0.00 C ATOM 956 CG TYR A 70 6.277 8.123 -4.406 1.00 0.00 C ATOM 957 CD1 TYR A 70 7.282 8.406 -3.489 1.00 0.00 C ATOM 958 CD2 TYR A 70 6.630 7.982 -5.742 1.00 0.00 C ATOM 959 CE1 TYR A 70 8.597 8.543 -3.890 1.00 0.00 C ATOM 960 CE2 TYR A 70 7.943 8.116 -6.152 1.00 0.00 C ATOM 961 CZ TYR A 70 8.922 8.397 -5.222 1.00 0.00 C ATOM 962 OH TYR A 70 10.230 8.532 -5.626 1.00 0.00 O ATOM 0 H TYR A 70 4.626 9.964 -1.808 1.00 0.00 H new ATOM 0 HA TYR A 70 4.077 9.852 -4.683 1.00 0.00 H new ATOM 0 HB2 TYR A 70 4.811 7.398 -3.038 1.00 0.00 H new ATOM 0 HB3 TYR A 70 4.293 7.403 -4.712 1.00 0.00 H new ATOM 0 HD1 TYR A 70 7.031 8.521 -2.445 1.00 0.00 H new ATOM 0 HD2 TYR A 70 5.865 7.764 -6.473 1.00 0.00 H new ATOM 0 HE1 TYR A 70 9.366 8.763 -3.164 1.00 0.00 H new ATOM 0 HE2 TYR A 70 8.201 8.001 -7.194 1.00 0.00 H new ATOM 0 HH TYR A 70 10.801 7.945 -5.087 1.00 0.00 H new ATOM 972 N THR A 71 1.832 8.652 -4.166 1.00 0.00 N ATOM 973 CA THR A 71 0.440 8.381 -3.830 1.00 0.00 C ATOM 974 C THR A 71 -0.018 7.051 -4.418 1.00 0.00 C ATOM 975 O THR A 71 0.253 6.747 -5.580 1.00 0.00 O ATOM 976 CB THR A 71 -0.489 9.500 -4.338 1.00 0.00 C ATOM 977 OG1 THR A 71 -0.072 10.762 -3.804 1.00 0.00 O ATOM 978 CG2 THR A 71 -1.932 9.227 -3.942 1.00 0.00 C ATOM 0 H THR A 71 2.067 8.500 -5.147 1.00 0.00 H new ATOM 0 HA THR A 71 0.381 8.335 -2.743 1.00 0.00 H new ATOM 0 HB THR A 71 -0.427 9.528 -5.426 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.730 11.068 -4.277 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.569 10.031 -4.312 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.255 8.280 -4.374 1.00 0.00 H new ATOM 0 HG23 THR A 71 -2.008 9.175 -2.856 1.00 0.00 H new ATOM 986 N VAL A 72 -0.715 6.259 -3.608 1.00 0.00 N ATOM 987 CA VAL A 72 -1.212 4.962 -4.048 1.00 0.00 C ATOM 988 C VAL A 72 -2.678 4.778 -3.672 1.00 0.00 C ATOM 989 O VAL A 72 -3.070 5.010 -2.528 1.00 0.00 O ATOM 990 CB VAL A 72 -0.390 3.810 -3.441 1.00 0.00 C ATOM 991 CG1 VAL A 72 -0.963 2.465 -3.862 1.00 0.00 C ATOM 992 CG2 VAL A 72 1.071 3.927 -3.848 1.00 0.00 C ATOM 0 H VAL A 72 -0.948 6.494 -2.643 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.112 4.937 -5.133 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.448 3.878 -2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.369 1.663 -3.423 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.993 2.384 -3.516 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.938 2.383 -4.949 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.638 3.105 -3.410 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.151 3.885 -4.934 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.473 4.875 -3.491 1.00 0.00 H new ATOM 1002 N SER A 73 -3.485 4.360 -4.642 1.00 0.00 N ATOM 1003 CA SER A 73 -4.909 4.149 -4.413 1.00 0.00 C ATOM 1004 C SER A 73 -5.297 2.702 -4.703 1.00 0.00 C ATOM 1005 O SER A 73 -4.715 2.054 -5.573 1.00 0.00 O ATOM 1006 CB SER A 73 -5.734 5.095 -5.289 1.00 0.00 C ATOM 1007 OG SER A 73 -5.692 4.698 -6.649 1.00 0.00 O ATOM 0 H SER A 73 -3.177 4.161 -5.594 1.00 0.00 H new ATOM 0 HA SER A 73 -5.118 4.361 -3.364 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.767 5.108 -4.943 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.352 6.111 -5.192 1.00 0.00 H new ATOM 0 HG SER A 73 -6.228 5.317 -7.187 1.00 0.00 H new ATOM 1013 N TYR A 74 -6.284 2.202 -3.968 1.00 0.00 N ATOM 1014 CA TYR A 74 -6.749 0.831 -4.143 1.00 0.00 C ATOM 1015 C TYR A 74 -8.165 0.663 -3.601 1.00 0.00 C ATOM 1016 O TYR A 74 -8.660 1.505 -2.851 1.00 0.00 O ATOM 1017 CB TYR A 74 -5.802 -0.144 -3.441 1.00 0.00 C ATOM 1018 CG TYR A 74 -5.897 -0.100 -1.933 1.00 0.00 C ATOM 1019 CD1 TYR A 74 -5.132 0.796 -1.196 1.00 0.00 C ATOM 1020 CD2 TYR A 74 -6.749 -0.954 -1.245 1.00 0.00 C ATOM 1021 CE1 TYR A 74 -5.214 0.840 0.183 1.00 0.00 C ATOM 1022 CE2 TYR A 74 -6.839 -0.917 0.133 1.00 0.00 C ATOM 1023 CZ TYR A 74 -6.069 -0.018 0.842 1.00 0.00 C ATOM 1024 OH TYR A 74 -6.155 0.022 2.215 1.00 0.00 O ATOM 0 H TYR A 74 -6.778 2.726 -3.245 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.760 0.611 -5.210 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.019 -1.157 -3.781 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.778 0.080 -3.739 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.462 1.470 -1.710 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.352 -1.660 -1.797 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -4.612 1.542 0.741 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.508 -1.588 0.652 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.386 0.510 2.577 1.00 0.00 H new ATOM 1034 N LEU A 75 -8.812 -0.432 -3.985 1.00 0.00 N ATOM 1035 CA LEU A 75 -10.171 -0.714 -3.537 1.00 0.00 C ATOM 1036 C LEU A 75 -10.281 -2.133 -2.989 1.00 0.00 C ATOM 1037 O LEU A 75 -10.422 -3.103 -3.734 1.00 0.00 O ATOM 1038 CB LEU A 75 -11.159 -0.522 -4.690 1.00 0.00 C ATOM 1039 CG LEU A 75 -12.566 -1.077 -4.467 1.00 0.00 C ATOM 1040 CD1 LEU A 75 -13.468 -0.015 -3.858 1.00 0.00 C ATOM 1041 CD2 LEU A 75 -13.151 -1.588 -5.776 1.00 0.00 C ATOM 0 H LEU A 75 -8.417 -1.139 -4.605 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.415 -0.016 -2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.240 0.545 -4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -10.742 -0.991 -5.581 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.500 -1.912 -3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -14.465 -0.428 -3.706 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -13.058 0.305 -2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -13.528 0.841 -4.531 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.153 -1.979 -5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.203 -0.770 -6.495 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.517 -2.381 -6.173 1.00 0.00 H new ATOM 1053 N PRO A 76 -10.218 -2.259 -1.656 1.00 0.00 N ATOM 1054 CA PRO A 76 -10.311 -3.556 -0.978 1.00 0.00 C ATOM 1055 C PRO A 76 -11.709 -4.157 -1.066 1.00 0.00 C ATOM 1056 O PRO A 76 -12.521 -4.003 -0.153 1.00 0.00 O ATOM 1057 CB PRO A 76 -9.964 -3.222 0.475 1.00 0.00 C ATOM 1058 CG PRO A 76 -10.319 -1.783 0.629 1.00 0.00 C ATOM 1059 CD PRO A 76 -10.052 -1.146 -0.706 1.00 0.00 C ATOM 0 HA PRO A 76 -9.653 -4.299 -1.428 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -10.527 -3.845 1.170 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -8.907 -3.393 0.679 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -11.365 -1.667 0.915 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -9.721 -1.315 1.411 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.751 -0.335 -0.911 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.049 -0.722 -0.755 1.00 0.00 H new ATOM 1067 N ASP A 77 -11.984 -4.842 -2.171 1.00 0.00 N ATOM 1068 CA ASP A 77 -13.285 -5.469 -2.378 1.00 0.00 C ATOM 1069 C ASP A 77 -13.677 -6.319 -1.173 1.00 0.00 C ATOM 1070 O ASP A 77 -14.726 -6.108 -0.567 1.00 0.00 O ATOM 1071 CB ASP A 77 -13.264 -6.331 -3.641 1.00 0.00 C ATOM 1072 CG ASP A 77 -14.631 -6.442 -4.289 1.00 0.00 C ATOM 1073 OD1 ASP A 77 -15.642 -6.307 -3.568 1.00 0.00 O ATOM 1074 OD2 ASP A 77 -14.689 -6.663 -5.516 1.00 0.00 O ATOM 0 H ASP A 77 -11.324 -4.977 -2.937 1.00 0.00 H new ATOM 0 HA ASP A 77 -14.026 -4.679 -2.499 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -12.560 -5.906 -4.356 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -12.902 -7.328 -3.391 1.00 0.00 H new ATOM 1079 N MET A 78 -12.826 -7.282 -0.834 1.00 0.00 N ATOM 1080 CA MET A 78 -13.083 -8.164 0.299 1.00 0.00 C ATOM 1081 C MET A 78 -12.679 -7.498 1.610 1.00 0.00 C ATOM 1082 O MET A 78 -11.994 -6.475 1.612 1.00 0.00 O ATOM 1083 CB MET A 78 -12.326 -9.483 0.128 1.00 0.00 C ATOM 1084 CG MET A 78 -12.655 -10.209 -1.167 1.00 0.00 C ATOM 1085 SD MET A 78 -14.405 -10.618 -1.309 1.00 0.00 S ATOM 1086 CE MET A 78 -14.941 -9.400 -2.507 1.00 0.00 C ATOM 0 H MET A 78 -11.953 -7.471 -1.327 1.00 0.00 H new ATOM 0 HA MET A 78 -14.153 -8.369 0.332 1.00 0.00 H new ATOM 0 HB2 MET A 78 -11.255 -9.285 0.162 1.00 0.00 H new ATOM 0 HB3 MET A 78 -12.556 -10.136 0.970 1.00 0.00 H new ATOM 0 HG2 MET A 78 -12.362 -9.587 -2.012 1.00 0.00 H new ATOM 0 HG3 MET A 78 -12.066 -11.124 -1.225 1.00 0.00 H new ATOM 0 HE1 MET A 78 -15.856 -9.743 -2.990 1.00 0.00 H new ATOM 0 HE2 MET A 78 -15.130 -8.452 -2.003 1.00 0.00 H new ATOM 0 HE3 MET A 78 -14.164 -9.263 -3.259 1.00 0.00 H new ATOM 1096 N SER A 79 -13.107 -8.085 2.723 1.00 0.00 N ATOM 1097 CA SER A 79 -12.793 -7.545 4.041 1.00 0.00 C ATOM 1098 C SER A 79 -11.898 -8.504 4.821 1.00 0.00 C ATOM 1099 O SER A 79 -11.964 -9.719 4.640 1.00 0.00 O ATOM 1100 CB SER A 79 -14.078 -7.277 4.826 1.00 0.00 C ATOM 1101 OG SER A 79 -14.881 -6.308 4.174 1.00 0.00 O ATOM 0 H SER A 79 -13.672 -8.934 2.739 1.00 0.00 H new ATOM 0 HA SER A 79 -12.258 -6.605 3.903 1.00 0.00 H new ATOM 0 HB2 SER A 79 -14.640 -8.204 4.937 1.00 0.00 H new ATOM 0 HB3 SER A 79 -13.830 -6.932 5.830 1.00 0.00 H new ATOM 0 HG SER A 79 -15.697 -6.156 4.695 1.00 0.00 H new ATOM 1107 N GLY A 80 -11.060 -7.946 5.690 1.00 0.00 N ATOM 1108 CA GLY A 80 -10.163 -8.764 6.485 1.00 0.00 C ATOM 1109 C GLY A 80 -8.766 -8.182 6.567 1.00 0.00 C ATOM 1110 O GLY A 80 -8.573 -6.983 6.360 1.00 0.00 O ATOM 0 H GLY A 80 -10.987 -6.942 5.857 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.569 -8.870 7.491 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.112 -9.764 6.055 1.00 0.00 H new ATOM 1114 N ARG A 81 -7.790 -9.030 6.872 1.00 0.00 N ATOM 1115 CA ARG A 81 -6.404 -8.592 6.984 1.00 0.00 C ATOM 1116 C ARG A 81 -5.721 -8.592 5.619 1.00 0.00 C ATOM 1117 O ARG A 81 -5.467 -9.650 5.041 1.00 0.00 O ATOM 1118 CB ARG A 81 -5.637 -9.496 7.950 1.00 0.00 C ATOM 1119 CG ARG A 81 -4.412 -8.835 8.560 1.00 0.00 C ATOM 1120 CD ARG A 81 -3.444 -9.866 9.121 1.00 0.00 C ATOM 1121 NE ARG A 81 -4.053 -10.671 10.177 1.00 0.00 N ATOM 1122 CZ ARG A 81 -3.356 -11.403 11.038 1.00 0.00 C ATOM 1123 NH1 ARG A 81 -2.032 -11.431 10.970 1.00 0.00 N ATOM 1124 NH2 ARG A 81 -3.982 -12.109 11.970 1.00 0.00 N ATOM 0 H ARG A 81 -7.933 -10.025 7.046 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.402 -7.573 7.372 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.307 -9.809 8.751 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.328 -10.398 7.422 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -3.907 -8.234 7.804 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.721 -8.155 9.354 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.104 -10.519 8.317 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.562 -9.359 9.514 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.070 -10.671 10.257 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.546 -10.889 10.255 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.499 -11.994 11.633 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.000 -12.090 12.026 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.445 -12.671 12.631 1.00 0.00 H new ATOM 1138 N TYR A 82 -5.428 -7.401 5.109 1.00 0.00 N ATOM 1139 CA TYR A 82 -4.778 -7.264 3.811 1.00 0.00 C ATOM 1140 C TYR A 82 -3.261 -7.216 3.964 1.00 0.00 C ATOM 1141 O TYR A 82 -2.740 -6.710 4.958 1.00 0.00 O ATOM 1142 CB TYR A 82 -5.271 -6.002 3.101 1.00 0.00 C ATOM 1143 CG TYR A 82 -6.503 -6.225 2.255 1.00 0.00 C ATOM 1144 CD1 TYR A 82 -7.776 -6.094 2.796 1.00 0.00 C ATOM 1145 CD2 TYR A 82 -6.395 -6.566 0.912 1.00 0.00 C ATOM 1146 CE1 TYR A 82 -8.904 -6.297 2.026 1.00 0.00 C ATOM 1147 CE2 TYR A 82 -7.518 -6.770 0.134 1.00 0.00 C ATOM 1148 CZ TYR A 82 -8.770 -6.635 0.696 1.00 0.00 C ATOM 1149 OH TYR A 82 -9.892 -6.837 -0.075 1.00 0.00 O ATOM 0 H TYR A 82 -5.630 -6.516 5.575 1.00 0.00 H new ATOM 0 HA TYR A 82 -5.037 -8.135 3.210 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.486 -5.237 3.847 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.472 -5.615 2.469 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.885 -5.829 3.837 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.416 -6.673 0.469 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.886 -6.192 2.463 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.416 -7.034 -0.908 1.00 0.00 H new ATOM 0 HH TYR A 82 -10.690 -6.595 0.439 1.00 0.00 H new ATOM 1159 N THR A 83 -2.556 -7.747 2.970 1.00 0.00 N ATOM 1160 CA THR A 83 -1.099 -7.767 2.992 1.00 0.00 C ATOM 1161 C THR A 83 -0.520 -6.813 1.953 1.00 0.00 C ATOM 1162 O THR A 83 -0.561 -7.089 0.754 1.00 0.00 O ATOM 1163 CB THR A 83 -0.551 -9.183 2.734 1.00 0.00 C ATOM 1164 OG1 THR A 83 -1.095 -10.100 3.690 1.00 0.00 O ATOM 1165 CG2 THR A 83 0.968 -9.199 2.814 1.00 0.00 C ATOM 0 H THR A 83 -2.971 -8.169 2.139 1.00 0.00 H new ATOM 0 HA THR A 83 -0.795 -7.444 3.988 1.00 0.00 H new ATOM 0 HB THR A 83 -0.848 -9.487 1.730 1.00 0.00 H new ATOM 0 HG1 THR A 83 -0.743 -10.998 3.518 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.331 -10.210 2.628 1.00 0.00 H new ATOM 0 HG22 THR A 83 1.379 -8.522 2.065 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.284 -8.877 3.806 1.00 0.00 H new ATOM 1173 N ILE A 84 0.019 -5.692 2.420 1.00 0.00 N ATOM 1174 CA ILE A 84 0.607 -4.699 1.530 1.00 0.00 C ATOM 1175 C ILE A 84 2.127 -4.820 1.500 1.00 0.00 C ATOM 1176 O ILE A 84 2.790 -4.730 2.534 1.00 0.00 O ATOM 1177 CB ILE A 84 0.226 -3.268 1.952 1.00 0.00 C ATOM 1178 CG1 ILE A 84 -1.288 -3.156 2.144 1.00 0.00 C ATOM 1179 CG2 ILE A 84 0.710 -2.264 0.917 1.00 0.00 C ATOM 1180 CD1 ILE A 84 -1.708 -1.943 2.943 1.00 0.00 C ATOM 0 H ILE A 84 0.061 -5.449 3.410 1.00 0.00 H new ATOM 0 HA ILE A 84 0.209 -4.893 0.534 1.00 0.00 H new ATOM 0 HB ILE A 84 0.711 -3.043 2.902 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.768 -3.121 1.166 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.650 -4.054 2.645 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.433 -1.257 1.230 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.794 -2.330 0.825 1.00 0.00 H new ATOM 0 HG23 ILE A 84 0.250 -2.484 -0.046 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.794 -1.929 3.039 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.257 -1.986 3.934 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.377 -1.039 2.433 1.00 0.00 H new ATOM 1192 N THR A 85 2.676 -5.024 0.306 1.00 0.00 N ATOM 1193 CA THR A 85 4.118 -5.156 0.140 1.00 0.00 C ATOM 1194 C THR A 85 4.698 -3.957 -0.601 1.00 0.00 C ATOM 1195 O THR A 85 4.497 -3.803 -1.805 1.00 0.00 O ATOM 1196 CB THR A 85 4.479 -6.443 -0.626 1.00 0.00 C ATOM 1197 OG1 THR A 85 3.832 -7.569 -0.024 1.00 0.00 O ATOM 1198 CG2 THR A 85 5.984 -6.662 -0.636 1.00 0.00 C ATOM 0 H THR A 85 2.143 -5.101 -0.560 1.00 0.00 H new ATOM 0 HA THR A 85 4.549 -5.204 1.140 1.00 0.00 H new ATOM 0 HB THR A 85 4.137 -6.335 -1.655 1.00 0.00 H new ATOM 0 HG1 THR A 85 4.065 -8.383 -0.518 1.00 0.00 H new ATOM 0 HG21 THR A 85 6.215 -7.576 -1.182 1.00 0.00 H new ATOM 0 HG22 THR A 85 6.472 -5.816 -1.121 1.00 0.00 H new ATOM 0 HG23 THR A 85 6.346 -6.750 0.388 1.00 0.00 H new ATOM 1206 N ILE A 86 5.420 -3.111 0.127 1.00 0.00 N ATOM 1207 CA ILE A 86 6.031 -1.926 -0.463 1.00 0.00 C ATOM 1208 C ILE A 86 7.544 -2.084 -0.569 1.00 0.00 C ATOM 1209 O ILE A 86 8.230 -2.293 0.432 1.00 0.00 O ATOM 1210 CB ILE A 86 5.714 -0.662 0.357 1.00 0.00 C ATOM 1211 CG1 ILE A 86 4.203 -0.426 0.406 1.00 0.00 C ATOM 1212 CG2 ILE A 86 6.425 0.546 -0.236 1.00 0.00 C ATOM 1213 CD1 ILE A 86 3.797 0.699 1.333 1.00 0.00 C ATOM 0 H ILE A 86 5.596 -3.224 1.125 1.00 0.00 H new ATOM 0 HA ILE A 86 5.608 -1.816 -1.462 1.00 0.00 H new ATOM 0 HB ILE A 86 6.074 -0.807 1.376 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.845 -0.205 -0.599 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.710 -1.344 0.725 1.00 0.00 H new ATOM 0 HG21 ILE A 86 6.191 1.432 0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.502 0.376 -0.225 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.092 0.696 -1.263 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.713 0.810 1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.124 0.471 2.347 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.261 1.628 1.003 1.00 0.00 H new ATOM 1225 N LYS A 87 8.061 -1.979 -1.789 1.00 0.00 N ATOM 1226 CA LYS A 87 9.493 -2.106 -2.027 1.00 0.00 C ATOM 1227 C LYS A 87 10.015 -0.931 -2.847 1.00 0.00 C ATOM 1228 O LYS A 87 9.398 -0.527 -3.834 1.00 0.00 O ATOM 1229 CB LYS A 87 9.796 -3.421 -2.751 1.00 0.00 C ATOM 1230 CG LYS A 87 9.632 -4.649 -1.873 1.00 0.00 C ATOM 1231 CD LYS A 87 9.937 -5.926 -2.639 1.00 0.00 C ATOM 1232 CE LYS A 87 9.424 -7.154 -1.903 1.00 0.00 C ATOM 1233 NZ LYS A 87 9.328 -8.339 -2.800 1.00 0.00 N ATOM 0 H LYS A 87 7.508 -1.806 -2.629 1.00 0.00 H new ATOM 0 HA LYS A 87 9.998 -2.105 -1.061 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.137 -3.511 -3.614 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.817 -3.390 -3.131 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.295 -4.573 -1.012 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.613 -4.689 -1.488 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.481 -5.876 -3.628 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.013 -6.013 -2.789 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.089 -7.382 -1.070 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.443 -6.940 -1.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.975 -9.155 -2.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.674 -8.131 -3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.268 -8.560 -3.185 1.00 0.00 H new ATOM 1247 N TYR A 88 11.154 -0.386 -2.434 1.00 0.00 N ATOM 1248 CA TYR A 88 11.758 0.744 -3.130 1.00 0.00 C ATOM 1249 C TYR A 88 12.974 0.300 -3.936 1.00 0.00 C ATOM 1250 O TYR A 88 13.934 -0.240 -3.388 1.00 0.00 O ATOM 1251 CB TYR A 88 12.162 1.828 -2.130 1.00 0.00 C ATOM 1252 CG TYR A 88 12.302 3.201 -2.749 1.00 0.00 C ATOM 1253 CD1 TYR A 88 11.184 3.984 -3.008 1.00 0.00 C ATOM 1254 CD2 TYR A 88 13.551 3.714 -3.075 1.00 0.00 C ATOM 1255 CE1 TYR A 88 11.307 5.239 -3.574 1.00 0.00 C ATOM 1256 CE2 TYR A 88 13.683 4.968 -3.640 1.00 0.00 C ATOM 1257 CZ TYR A 88 12.558 5.726 -3.888 1.00 0.00 C ATOM 1258 OH TYR A 88 12.686 6.975 -4.451 1.00 0.00 O ATOM 0 H TYR A 88 11.678 -0.709 -1.620 1.00 0.00 H new ATOM 0 HA TYR A 88 11.018 1.152 -3.819 1.00 0.00 H new ATOM 0 HB2 TYR A 88 11.419 1.872 -1.334 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.109 1.549 -1.667 1.00 0.00 H new ATOM 0 HD1 TYR A 88 10.202 3.606 -2.763 1.00 0.00 H new ATOM 0 HD2 TYR A 88 14.434 3.123 -2.884 1.00 0.00 H new ATOM 0 HE1 TYR A 88 10.428 5.835 -3.769 1.00 0.00 H new ATOM 0 HE2 TYR A 88 14.662 5.352 -3.886 1.00 0.00 H new ATOM 0 HH TYR A 88 13.625 7.254 -4.419 1.00 0.00 H new ATOM 1268 N GLY A 89 12.926 0.534 -5.245 1.00 0.00 N ATOM 1269 CA GLY A 89 14.030 0.153 -6.107 1.00 0.00 C ATOM 1270 C GLY A 89 14.658 -1.164 -5.697 1.00 0.00 C ATOM 1271 O GLY A 89 15.875 -1.330 -5.774 1.00 0.00 O ATOM 0 H GLY A 89 12.143 0.980 -5.723 1.00 0.00 H new ATOM 0 HA2 GLY A 89 13.675 0.078 -7.135 1.00 0.00 H new ATOM 0 HA3 GLY A 89 14.789 0.935 -6.088 1.00 0.00 H new ATOM 1275 N GLY A 90 13.826 -2.104 -5.258 1.00 0.00 N ATOM 1276 CA GLY A 90 14.326 -3.400 -4.839 1.00 0.00 C ATOM 1277 C GLY A 90 14.769 -3.410 -3.390 1.00 0.00 C ATOM 1278 O GLY A 90 15.798 -3.995 -3.052 1.00 0.00 O ATOM 0 H GLY A 90 12.815 -1.991 -5.185 1.00 0.00 H new ATOM 0 HA2 GLY A 90 13.548 -4.150 -4.983 1.00 0.00 H new ATOM 0 HA3 GLY A 90 15.165 -3.685 -5.474 1.00 0.00 H new ATOM 1282 N ASP A 91 13.991 -2.760 -2.531 1.00 0.00 N ATOM 1283 CA ASP A 91 14.309 -2.695 -1.109 1.00 0.00 C ATOM 1284 C ASP A 91 13.038 -2.598 -0.272 1.00 0.00 C ATOM 1285 O ASP A 91 12.399 -1.548 -0.216 1.00 0.00 O ATOM 1286 CB ASP A 91 15.217 -1.498 -0.822 1.00 0.00 C ATOM 1287 CG ASP A 91 16.147 -1.745 0.349 1.00 0.00 C ATOM 1288 OD1 ASP A 91 17.126 -2.502 0.180 1.00 0.00 O ATOM 1289 OD2 ASP A 91 15.897 -1.181 1.435 1.00 0.00 O ATOM 0 H ASP A 91 13.136 -2.271 -2.795 1.00 0.00 H new ATOM 0 HA ASP A 91 14.832 -3.611 -0.836 1.00 0.00 H new ATOM 0 HB2 ASP A 91 15.808 -1.272 -1.710 1.00 0.00 H new ATOM 0 HB3 ASP A 91 14.603 -0.621 -0.616 1.00 0.00 H new ATOM 1294 N GLU A 92 12.676 -3.702 0.376 1.00 0.00 N ATOM 1295 CA GLU A 92 11.480 -3.740 1.208 1.00 0.00 C ATOM 1296 C GLU A 92 11.648 -2.861 2.444 1.00 0.00 C ATOM 1297 O GLU A 92 12.591 -3.031 3.216 1.00 0.00 O ATOM 1298 CB GLU A 92 11.172 -5.178 1.630 1.00 0.00 C ATOM 1299 CG GLU A 92 9.722 -5.398 2.030 1.00 0.00 C ATOM 1300 CD GLU A 92 9.412 -6.853 2.323 1.00 0.00 C ATOM 1301 OE1 GLU A 92 10.103 -7.446 3.179 1.00 0.00 O ATOM 1302 OE2 GLU A 92 8.480 -7.400 1.697 1.00 0.00 O ATOM 0 H GLU A 92 13.194 -4.580 0.340 1.00 0.00 H new ATOM 0 HA GLU A 92 10.647 -3.354 0.620 1.00 0.00 H new ATOM 0 HB2 GLU A 92 11.419 -5.850 0.808 1.00 0.00 H new ATOM 0 HB3 GLU A 92 11.816 -5.448 2.467 1.00 0.00 H new ATOM 0 HG2 GLU A 92 9.497 -4.798 2.912 1.00 0.00 H new ATOM 0 HG3 GLU A 92 9.071 -5.046 1.230 1.00 0.00 H new ATOM 1309 N ILE A 93 10.727 -1.920 2.622 1.00 0.00 N ATOM 1310 CA ILE A 93 10.772 -1.014 3.763 1.00 0.00 C ATOM 1311 C ILE A 93 10.716 -1.783 5.079 1.00 0.00 C ATOM 1312 O ILE A 93 10.170 -2.883 5.160 1.00 0.00 O ATOM 1313 CB ILE A 93 9.613 0.000 3.724 1.00 0.00 C ATOM 1314 CG1 ILE A 93 8.273 -0.730 3.615 1.00 0.00 C ATOM 1315 CG2 ILE A 93 9.793 0.965 2.562 1.00 0.00 C ATOM 1316 CD1 ILE A 93 7.079 0.154 3.901 1.00 0.00 C ATOM 0 H ILE A 93 9.941 -1.765 1.991 1.00 0.00 H new ATOM 0 HA ILE A 93 11.717 -0.475 3.700 1.00 0.00 H new ATOM 0 HB ILE A 93 9.619 0.573 4.651 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.175 -1.146 2.612 1.00 0.00 H new ATOM 0 HG13 ILE A 93 8.268 -1.570 4.310 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.966 1.675 2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 93 10.733 1.504 2.679 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.809 0.408 1.625 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.163 -0.429 3.805 1.00 0.00 H new ATOM 0 HD12 ILE A 93 7.153 0.549 4.914 1.00 0.00 H new ATOM 0 HD13 ILE A 93 7.059 0.980 3.190 1.00 0.00 H new ATOM 1328 N PRO A 94 11.292 -1.191 6.135 1.00 0.00 N ATOM 1329 CA PRO A 94 11.319 -1.802 7.468 1.00 0.00 C ATOM 1330 C PRO A 94 9.939 -1.838 8.116 1.00 0.00 C ATOM 1331 O PRO A 94 9.793 -2.260 9.264 1.00 0.00 O ATOM 1332 CB PRO A 94 12.257 -0.887 8.258 1.00 0.00 C ATOM 1333 CG PRO A 94 12.174 0.430 7.567 1.00 0.00 C ATOM 1334 CD PRO A 94 11.961 0.120 6.111 1.00 0.00 C ATOM 0 HA PRO A 94 11.645 -2.842 7.434 1.00 0.00 H new ATOM 0 HB2 PRO A 94 11.947 -0.807 9.300 1.00 0.00 H new ATOM 0 HB3 PRO A 94 13.277 -1.271 8.257 1.00 0.00 H new ATOM 0 HG2 PRO A 94 11.353 1.028 7.963 1.00 0.00 H new ATOM 0 HG3 PRO A 94 13.087 1.006 7.714 1.00 0.00 H new ATOM 0 HD2 PRO A 94 11.345 0.877 5.625 1.00 0.00 H new ATOM 0 HD3 PRO A 94 12.904 0.080 5.567 1.00 0.00 H new ATOM 1342 N TYR A 95 8.930 -1.394 7.375 1.00 0.00 N ATOM 1343 CA TYR A 95 7.562 -1.375 7.879 1.00 0.00 C ATOM 1344 C TYR A 95 6.714 -2.442 7.195 1.00 0.00 C ATOM 1345 O TYR A 95 5.607 -2.750 7.638 1.00 0.00 O ATOM 1346 CB TYR A 95 6.937 0.005 7.664 1.00 0.00 C ATOM 1347 CG TYR A 95 7.776 1.141 8.204 1.00 0.00 C ATOM 1348 CD1 TYR A 95 8.881 1.608 7.503 1.00 0.00 C ATOM 1349 CD2 TYR A 95 7.464 1.746 9.415 1.00 0.00 C ATOM 1350 CE1 TYR A 95 9.651 2.645 7.993 1.00 0.00 C ATOM 1351 CE2 TYR A 95 8.228 2.785 9.911 1.00 0.00 C ATOM 1352 CZ TYR A 95 9.320 3.231 9.197 1.00 0.00 C ATOM 1353 OH TYR A 95 10.084 4.264 9.689 1.00 0.00 O ATOM 0 H TYR A 95 9.034 -1.042 6.423 1.00 0.00 H new ATOM 0 HA TYR A 95 7.592 -1.591 8.947 1.00 0.00 H new ATOM 0 HB2 TYR A 95 6.776 0.159 6.597 1.00 0.00 H new ATOM 0 HB3 TYR A 95 5.957 0.029 8.141 1.00 0.00 H new ATOM 0 HD1 TYR A 95 9.142 1.153 6.559 1.00 0.00 H new ATOM 0 HD2 TYR A 95 6.610 1.399 9.978 1.00 0.00 H new ATOM 0 HE1 TYR A 95 10.508 2.995 7.436 1.00 0.00 H new ATOM 0 HE2 TYR A 95 7.971 3.246 10.853 1.00 0.00 H new ATOM 0 HH TYR A 95 9.715 4.565 10.546 1.00 0.00 H new ATOM 1363 N SER A 96 7.242 -3.004 6.112 1.00 0.00 N ATOM 1364 CA SER A 96 6.533 -4.035 5.364 1.00 0.00 C ATOM 1365 C SER A 96 6.990 -5.427 5.790 1.00 0.00 C ATOM 1366 O SER A 96 8.110 -5.623 6.263 1.00 0.00 O ATOM 1367 CB SER A 96 6.758 -3.850 3.862 1.00 0.00 C ATOM 1368 OG SER A 96 6.756 -5.097 3.188 1.00 0.00 O ATOM 0 H SER A 96 8.158 -2.763 5.733 1.00 0.00 H new ATOM 0 HA SER A 96 5.469 -3.939 5.580 1.00 0.00 H new ATOM 0 HB2 SER A 96 5.978 -3.210 3.451 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.708 -3.343 3.693 1.00 0.00 H new ATOM 0 HG SER A 96 6.900 -4.951 2.230 1.00 0.00 H new ATOM 1374 N PRO A 97 6.103 -6.418 5.620 1.00 0.00 N ATOM 1375 CA PRO A 97 4.767 -6.197 5.059 1.00 0.00 C ATOM 1376 C PRO A 97 3.862 -5.417 6.007 1.00 0.00 C ATOM 1377 O PRO A 97 3.915 -5.601 7.224 1.00 0.00 O ATOM 1378 CB PRO A 97 4.229 -7.615 4.852 1.00 0.00 C ATOM 1379 CG PRO A 97 4.969 -8.449 5.841 1.00 0.00 C ATOM 1380 CD PRO A 97 6.335 -7.832 5.963 1.00 0.00 C ATOM 0 HA PRO A 97 4.802 -5.603 4.146 1.00 0.00 H new ATOM 0 HB2 PRO A 97 3.153 -7.659 5.023 1.00 0.00 H new ATOM 0 HB3 PRO A 97 4.404 -7.960 3.833 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.458 -8.459 6.804 1.00 0.00 H new ATOM 0 HG3 PRO A 97 5.037 -9.484 5.506 1.00 0.00 H new ATOM 0 HD2 PRO A 97 6.736 -7.940 6.971 1.00 0.00 H new ATOM 0 HD3 PRO A 97 7.049 -8.298 5.284 1.00 0.00 H new ATOM 1388 N PHE A 98 3.031 -4.548 5.443 1.00 0.00 N ATOM 1389 CA PHE A 98 2.114 -3.739 6.239 1.00 0.00 C ATOM 1390 C PHE A 98 0.824 -4.503 6.524 1.00 0.00 C ATOM 1391 O PHE A 98 0.220 -5.082 5.621 1.00 0.00 O ATOM 1392 CB PHE A 98 1.795 -2.430 5.515 1.00 0.00 C ATOM 1393 CG PHE A 98 2.718 -1.303 5.881 1.00 0.00 C ATOM 1394 CD1 PHE A 98 2.867 -0.913 7.203 1.00 0.00 C ATOM 1395 CD2 PHE A 98 3.437 -0.633 4.905 1.00 0.00 C ATOM 1396 CE1 PHE A 98 3.715 0.124 7.543 1.00 0.00 C ATOM 1397 CE2 PHE A 98 4.287 0.405 5.238 1.00 0.00 C ATOM 1398 CZ PHE A 98 4.426 0.783 6.559 1.00 0.00 C ATOM 0 H PHE A 98 2.973 -4.385 4.438 1.00 0.00 H new ATOM 0 HA PHE A 98 2.599 -3.512 7.188 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.847 -2.597 4.439 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.770 -2.138 5.743 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.314 -1.426 7.976 1.00 0.00 H new ATOM 0 HD2 PHE A 98 3.332 -0.925 3.871 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.822 0.419 8.577 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.841 0.919 4.467 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.090 1.593 6.822 1.00 0.00 H new ATOM 1408 N ARG A 99 0.407 -4.498 7.786 1.00 0.00 N ATOM 1409 CA ARG A 99 -0.809 -5.191 8.192 1.00 0.00 C ATOM 1410 C ARG A 99 -1.974 -4.213 8.322 1.00 0.00 C ATOM 1411 O ARG A 99 -1.900 -3.242 9.074 1.00 0.00 O ATOM 1412 CB ARG A 99 -0.589 -5.918 9.520 1.00 0.00 C ATOM 1413 CG ARG A 99 -0.035 -5.025 10.618 1.00 0.00 C ATOM 1414 CD ARG A 99 1.485 -5.042 10.636 1.00 0.00 C ATOM 1415 NE ARG A 99 2.041 -3.780 11.118 1.00 0.00 N ATOM 1416 CZ ARG A 99 3.247 -3.669 11.663 1.00 0.00 C ATOM 1417 NH1 ARG A 99 4.020 -4.738 11.793 1.00 0.00 N ATOM 1418 NH2 ARG A 99 3.683 -2.486 12.078 1.00 0.00 N ATOM 0 H ARG A 99 0.894 -4.021 8.545 1.00 0.00 H new ATOM 0 HA ARG A 99 -1.054 -5.922 7.422 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -1.536 -6.344 9.853 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.096 -6.750 9.360 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -0.387 -4.004 10.470 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -0.415 -5.356 11.584 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.831 -5.857 11.272 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.857 -5.242 9.631 1.00 0.00 H new ATOM 0 HE ARG A 99 1.472 -2.938 11.031 1.00 0.00 H new ATOM 0 HH11 ARG A 99 3.689 -5.649 11.474 1.00 0.00 H new ATOM 0 HH12 ARG A 99 4.946 -4.650 12.212 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.092 -1.661 11.979 1.00 0.00 H new ATOM 0 HH22 ARG A 99 4.609 -2.402 12.496 1.00 0.00 H new ATOM 1432 N ILE A 100 -3.047 -4.478 7.583 1.00 0.00 N ATOM 1433 CA ILE A 100 -4.226 -3.622 7.616 1.00 0.00 C ATOM 1434 C ILE A 100 -5.501 -4.449 7.748 1.00 0.00 C ATOM 1435 O ILE A 100 -5.610 -5.537 7.182 1.00 0.00 O ATOM 1436 CB ILE A 100 -4.323 -2.748 6.352 1.00 0.00 C ATOM 1437 CG1 ILE A 100 -2.955 -2.155 6.010 1.00 0.00 C ATOM 1438 CG2 ILE A 100 -5.351 -1.644 6.549 1.00 0.00 C ATOM 1439 CD1 ILE A 100 -2.524 -1.048 6.946 1.00 0.00 C ATOM 0 H ILE A 100 -3.124 -5.278 6.955 1.00 0.00 H new ATOM 0 HA ILE A 100 -4.123 -2.975 8.487 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.646 -3.373 5.519 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.208 -2.949 6.032 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.980 -1.769 4.991 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.408 -1.035 5.647 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.326 -2.087 6.750 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.056 -1.018 7.391 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.546 -0.676 6.643 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.250 -0.236 6.907 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.466 -1.434 7.964 1.00 0.00 H new ATOM 1451 N HIS A 101 -6.465 -3.924 8.499 1.00 0.00 N ATOM 1452 CA HIS A 101 -7.734 -4.612 8.704 1.00 0.00 C ATOM 1453 C HIS A 101 -8.875 -3.863 8.021 1.00 0.00 C ATOM 1454 O HIS A 101 -9.026 -2.654 8.192 1.00 0.00 O ATOM 1455 CB HIS A 101 -8.026 -4.755 10.198 1.00 0.00 C ATOM 1456 CG HIS A 101 -8.839 -5.967 10.536 1.00 0.00 C ATOM 1457 ND1 HIS A 101 -8.388 -6.965 11.374 1.00 0.00 N ATOM 1458 CD2 HIS A 101 -10.081 -6.337 10.145 1.00 0.00 C ATOM 1459 CE1 HIS A 101 -9.318 -7.898 11.482 1.00 0.00 C ATOM 1460 NE2 HIS A 101 -10.355 -7.540 10.747 1.00 0.00 N ATOM 0 H HIS A 101 -6.391 -3.025 8.975 1.00 0.00 H new ATOM 0 HA HIS A 101 -7.656 -5.604 8.260 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -7.082 -4.797 10.742 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -8.553 -3.866 10.544 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -10.734 -5.788 9.483 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -9.243 -8.800 12.071 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -11.220 -8.071 10.643 1.00 0.00 H new ATOM 1469 N ALA A 102 -9.673 -4.589 7.245 1.00 0.00 N ATOM 1470 CA ALA A 102 -10.799 -3.994 6.537 1.00 0.00 C ATOM 1471 C ALA A 102 -12.126 -4.449 7.135 1.00 0.00 C ATOM 1472 O ALA A 102 -12.469 -5.631 7.082 1.00 0.00 O ATOM 1473 CB ALA A 102 -10.737 -4.342 5.058 1.00 0.00 C ATOM 0 H ALA A 102 -9.560 -5.591 7.091 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.733 -2.911 6.646 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -11.585 -3.891 4.542 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.809 -3.961 4.633 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.773 -5.425 4.937 1.00 0.00 H new ATOM 1479 N LEU A 103 -12.868 -3.506 7.703 1.00 0.00 N ATOM 1480 CA LEU A 103 -14.159 -3.811 8.312 1.00 0.00 C ATOM 1481 C LEU A 103 -15.286 -3.683 7.293 1.00 0.00 C ATOM 1482 O LEU A 103 -15.296 -2.783 6.452 1.00 0.00 O ATOM 1483 CB LEU A 103 -14.418 -2.879 9.497 1.00 0.00 C ATOM 1484 CG LEU A 103 -13.282 -2.750 10.512 1.00 0.00 C ATOM 1485 CD1 LEU A 103 -13.478 -1.517 11.380 1.00 0.00 C ATOM 1486 CD2 LEU A 103 -13.191 -4.002 11.373 1.00 0.00 C ATOM 0 H LEU A 103 -12.599 -2.524 7.755 1.00 0.00 H new ATOM 0 HA LEU A 103 -14.132 -4.841 8.667 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -14.646 -1.886 9.109 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -15.308 -3.229 10.021 1.00 0.00 H new ATOM 0 HG LEU A 103 -12.345 -2.639 9.967 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -12.660 -1.442 12.096 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -13.492 -0.627 10.750 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.423 -1.596 11.917 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -12.377 -3.892 12.090 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -14.130 -4.144 11.909 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -13.001 -4.867 10.738 1.00 0.00 H new ATOM 1498 N PRO A 104 -16.260 -4.601 7.369 1.00 0.00 N ATOM 1499 CA PRO A 104 -17.412 -4.610 6.462 1.00 0.00 C ATOM 1500 C PRO A 104 -18.359 -3.442 6.716 1.00 0.00 C ATOM 1501 O PRO A 104 -19.189 -3.488 7.624 1.00 0.00 O ATOM 1502 CB PRO A 104 -18.104 -5.938 6.780 1.00 0.00 C ATOM 1503 CG PRO A 104 -17.705 -6.247 8.182 1.00 0.00 C ATOM 1504 CD PRO A 104 -16.313 -5.701 8.346 1.00 0.00 C ATOM 0 HA PRO A 104 -17.110 -4.510 5.419 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -19.187 -5.853 6.686 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -17.786 -6.724 6.095 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -18.391 -5.787 8.893 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -17.727 -7.321 8.366 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -16.138 -5.345 9.361 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -15.557 -6.459 8.139 1.00 0.00 H new