USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 572 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 Single : A 29 SER OG : rot 22:sc= 0.554 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc=-0.00533 X(o=-0.0053,f=-0.046) USER MOD Single : A 45 LYS NZ :NH3+ -168:sc= 1.22 (180deg=1.04) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0957 USER MOD Single : A 54 THR OG1 : rot 81:sc= 0.649 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.27 K(o=-0.27,f=-2.3!) USER MOD Single : A 62 MET CE :methyl 157:sc= -0.0694 (180deg=-0.509) USER MOD Single : A 63 LYS NZ :NH3+ 156:sc= 1.21 (180deg=0.924) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 81:sc= 0.00486 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0357 F(o=-1.3!,f=-0.036) USER MOD Single : A 69 SER OG : rot 180:sc= -0.0912 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00635 USER MOD Single : A 80 SER OG : rot 82:sc= 1.25 USER MOD Single : A 81 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.05) USER MOD Single : A 84 HIS :FLIP no HD1:sc= 0.027 F(o=-0.74,f=0.027) USER MOD Single : A 86 HIS : no HD1:sc= -0.408 K(o=-0.41,f=-1.3) USER MOD Single : A 94 ASN : amide:sc=-0.00184 K(o=-0.0018,f=-1.2) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0.14 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N SER A 29 13.046 12.335 -0.305 1.00 10.00 N ATOM 38 CA SER A 29 13.814 11.950 0.868 1.00 10.00 C ATOM 39 C SER A 29 14.605 10.667 0.605 1.00 10.00 C ATOM 40 O SER A 29 14.079 9.557 0.735 1.00 10.00 O ATOM 41 CB SER A 29 12.878 11.762 2.062 1.00 10.00 C ATOM 42 OG SER A 29 11.763 12.637 1.973 1.00 10.00 O ATOM 0 HA SER A 29 14.525 12.745 1.093 1.00 10.00 H new ATOM 0 HB2 SER A 29 12.533 10.729 2.100 1.00 10.00 H new ATOM 0 HB3 SER A 29 13.421 11.951 2.988 1.00 10.00 H new ATOM 0 HG SER A 29 11.634 12.909 1.040 1.00 10.00 H new ATOM 48 N SER A 30 15.858 10.826 0.202 1.00 10.00 N ATOM 49 CA SER A 30 16.715 9.686 -0.066 1.00 10.00 C ATOM 50 C SER A 30 17.293 9.154 1.243 1.00 10.00 C ATOM 51 O SER A 30 17.502 9.915 2.194 1.00 10.00 O ATOM 52 CB SER A 30 17.836 10.091 -1.023 1.00 10.00 C ATOM 53 OG SER A 30 17.314 10.675 -2.206 1.00 10.00 O ATOM 0 H SER A 30 16.301 11.733 0.054 1.00 10.00 H new ATOM 0 HA SER A 30 16.128 8.896 -0.534 1.00 10.00 H new ATOM 0 HB2 SER A 30 18.502 10.798 -0.529 1.00 10.00 H new ATOM 0 HB3 SER A 30 18.433 9.216 -1.279 1.00 10.00 H new ATOM 0 HG SER A 30 18.052 10.926 -2.800 1.00 10.00 H new ATOM 59 N GLY A 31 17.542 7.855 1.289 1.00 10.00 N ATOM 60 CA GLY A 31 18.080 7.240 2.485 1.00 10.00 C ATOM 61 C GLY A 31 17.011 6.524 3.284 1.00 10.00 C ATOM 62 O GLY A 31 16.575 7.009 4.331 1.00 10.00 O ATOM 0 H GLY A 31 17.380 7.211 0.514 1.00 10.00 H new ATOM 0 HA2 GLY A 31 18.861 6.532 2.209 1.00 10.00 H new ATOM 0 HA3 GLY A 31 18.547 8.004 3.107 1.00 10.00 H new ATOM 66 N VAL A 32 16.580 5.373 2.792 1.00 10.00 N ATOM 67 CA VAL A 32 15.551 4.594 3.467 1.00 10.00 C ATOM 68 C VAL A 32 16.149 3.747 4.582 1.00 10.00 C ATOM 69 O VAL A 32 17.356 3.511 4.615 1.00 10.00 O ATOM 70 CB VAL A 32 14.792 3.674 2.481 1.00 10.00 C ATOM 71 CG1 VAL A 32 14.284 4.471 1.296 1.00 10.00 C ATOM 72 CG2 VAL A 32 15.668 2.521 2.008 1.00 10.00 C ATOM 0 H VAL A 32 16.926 4.957 1.928 1.00 10.00 H new ATOM 0 HA VAL A 32 14.846 5.307 3.894 1.00 10.00 H new ATOM 0 HB VAL A 32 13.940 3.250 3.012 1.00 10.00 H new ATOM 0 HG11 VAL A 32 13.753 3.808 0.613 1.00 10.00 H new ATOM 0 HG12 VAL A 32 13.607 5.251 1.645 1.00 10.00 H new ATOM 0 HG13 VAL A 32 15.126 4.928 0.777 1.00 10.00 H new ATOM 0 HG21 VAL A 32 15.104 1.895 1.317 1.00 10.00 H new ATOM 0 HG22 VAL A 32 16.549 2.917 1.502 1.00 10.00 H new ATOM 0 HG23 VAL A 32 15.979 1.925 2.866 1.00 10.00 H new ATOM 82 N HIS A 33 15.302 3.306 5.494 1.00 10.00 N ATOM 83 CA HIS A 33 15.738 2.463 6.596 1.00 10.00 C ATOM 84 C HIS A 33 15.374 1.012 6.304 1.00 10.00 C ATOM 85 O HIS A 33 14.760 0.720 5.276 1.00 10.00 O ATOM 86 CB HIS A 33 15.097 2.923 7.910 1.00 10.00 C ATOM 87 CG HIS A 33 15.828 4.053 8.574 1.00 10.00 C ATOM 88 ND1 HIS A 33 16.730 3.832 9.591 1.00 10.00 N ATOM 89 CD2 HIS A 33 15.768 5.384 8.319 1.00 10.00 C ATOM 90 CE1 HIS A 33 17.197 5.025 9.924 1.00 10.00 C ATOM 91 NE2 HIS A 33 16.645 5.988 9.181 1.00 10.00 N ATOM 0 H HIS A 33 14.304 3.518 5.494 1.00 10.00 H new ATOM 0 HA HIS A 33 16.820 2.545 6.700 1.00 10.00 H new ATOM 0 HB2 HIS A 33 14.070 3.231 7.715 1.00 10.00 H new ATOM 0 HB3 HIS A 33 15.051 2.078 8.597 1.00 10.00 H new ATOM 0 HD2 HIS A 33 15.150 5.872 7.580 1.00 10.00 H new ATOM 0 HE1 HIS A 33 17.931 5.198 10.698 1.00 10.00 H new ATOM 0 HE2 HIS A 33 16.840 6.987 9.244 1.00 10.00 H new ATOM 99 N VAL A 34 15.739 0.101 7.198 1.00 10.00 N ATOM 100 CA VAL A 34 15.434 -1.316 7.000 1.00 10.00 C ATOM 101 C VAL A 34 13.997 -1.638 7.420 1.00 10.00 C ATOM 102 O VAL A 34 13.576 -2.796 7.416 1.00 10.00 O ATOM 103 CB VAL A 34 16.415 -2.230 7.766 1.00 10.00 C ATOM 104 CG1 VAL A 34 17.843 -1.984 7.304 1.00 10.00 C ATOM 105 CG2 VAL A 34 16.289 -2.030 9.272 1.00 10.00 C ATOM 0 H VAL A 34 16.242 0.312 8.060 1.00 10.00 H new ATOM 0 HA VAL A 34 15.545 -1.512 5.934 1.00 10.00 H new ATOM 0 HB VAL A 34 16.156 -3.266 7.546 1.00 10.00 H new ATOM 0 HG11 VAL A 34 18.521 -2.636 7.854 1.00 10.00 H new ATOM 0 HG12 VAL A 34 17.922 -2.195 6.238 1.00 10.00 H new ATOM 0 HG13 VAL A 34 18.111 -0.944 7.489 1.00 10.00 H new ATOM 0 HG21 VAL A 34 16.991 -2.686 9.786 1.00 10.00 H new ATOM 0 HG22 VAL A 34 16.512 -0.993 9.521 1.00 10.00 H new ATOM 0 HG23 VAL A 34 15.273 -2.268 9.587 1.00 10.00 H new ATOM 115 N GLU A 35 13.253 -0.600 7.782 1.00 10.00 N ATOM 116 CA GLU A 35 11.868 -0.744 8.202 1.00 10.00 C ATOM 117 C GLU A 35 11.109 0.547 7.925 1.00 10.00 C ATOM 118 O GLU A 35 11.269 1.540 8.637 1.00 10.00 O ATOM 119 CB GLU A 35 11.795 -1.099 9.689 1.00 10.00 C ATOM 120 CG GLU A 35 10.372 -1.267 10.207 1.00 10.00 C ATOM 121 CD GLU A 35 10.303 -1.372 11.716 1.00 10.00 C ATOM 122 OE1 GLU A 35 10.483 -0.341 12.393 1.00 10.00 O ATOM 123 OE2 GLU A 35 10.057 -2.485 12.232 1.00 10.00 O ATOM 0 H GLU A 35 13.593 0.362 7.792 1.00 10.00 H new ATOM 0 HA GLU A 35 11.408 -1.553 7.635 1.00 10.00 H new ATOM 0 HB2 GLU A 35 12.347 -2.023 9.861 1.00 10.00 H new ATOM 0 HB3 GLU A 35 12.293 -0.319 10.265 1.00 10.00 H new ATOM 0 HG2 GLU A 35 9.769 -0.420 9.879 1.00 10.00 H new ATOM 0 HG3 GLU A 35 9.933 -2.162 9.765 1.00 10.00 H new ATOM 130 N ASP A 36 10.310 0.540 6.871 1.00 10.00 N ATOM 131 CA ASP A 36 9.529 1.707 6.491 1.00 10.00 C ATOM 132 C ASP A 36 8.098 1.307 6.132 1.00 10.00 C ATOM 133 O ASP A 36 7.358 2.074 5.519 1.00 10.00 O ATOM 134 CB ASP A 36 10.194 2.458 5.322 1.00 10.00 C ATOM 135 CG ASP A 36 10.347 1.622 4.060 1.00 10.00 C ATOM 136 OD1 ASP A 36 10.247 0.375 4.133 1.00 10.00 O ATOM 137 OD2 ASP A 36 10.603 2.212 2.988 1.00 10.00 O ATOM 0 H ASP A 36 10.184 -0.266 6.259 1.00 10.00 H new ATOM 0 HA ASP A 36 9.491 2.381 7.347 1.00 10.00 H new ATOM 0 HB2 ASP A 36 9.604 3.344 5.090 1.00 10.00 H new ATOM 0 HB3 ASP A 36 11.178 2.804 5.638 1.00 10.00 H new ATOM 142 N ALA A 37 7.710 0.105 6.554 1.00 10.00 N ATOM 143 CA ALA A 37 6.371 -0.418 6.293 1.00 10.00 C ATOM 144 C ALA A 37 5.303 0.448 6.955 1.00 10.00 C ATOM 145 O ALA A 37 4.262 0.741 6.362 1.00 10.00 O ATOM 146 CB ALA A 37 6.273 -1.855 6.787 1.00 10.00 C ATOM 0 H ALA A 37 8.310 -0.529 7.082 1.00 10.00 H new ATOM 0 HA ALA A 37 6.196 -0.397 5.217 1.00 10.00 H new ATOM 0 HB1 ALA A 37 5.273 -2.240 6.590 1.00 10.00 H new ATOM 0 HB2 ALA A 37 7.007 -2.470 6.266 1.00 10.00 H new ATOM 0 HB3 ALA A 37 6.469 -1.885 7.859 1.00 10.00 H new ATOM 152 N LEU A 38 5.576 0.868 8.182 1.00 10.00 N ATOM 153 CA LEU A 38 4.646 1.703 8.931 1.00 10.00 C ATOM 154 C LEU A 38 4.591 3.113 8.345 1.00 10.00 C ATOM 155 O LEU A 38 3.552 3.772 8.389 1.00 10.00 O ATOM 156 CB LEU A 38 5.029 1.757 10.422 1.00 10.00 C ATOM 157 CG LEU A 38 6.293 2.552 10.763 1.00 10.00 C ATOM 158 CD1 LEU A 38 6.268 2.979 12.223 1.00 10.00 C ATOM 159 CD2 LEU A 38 7.542 1.728 10.477 1.00 10.00 C ATOM 0 H LEU A 38 6.436 0.644 8.682 1.00 10.00 H new ATOM 0 HA LEU A 38 3.656 1.255 8.849 1.00 10.00 H new ATOM 0 HB2 LEU A 38 4.194 2.186 10.976 1.00 10.00 H new ATOM 0 HB3 LEU A 38 5.158 0.736 10.781 1.00 10.00 H new ATOM 0 HG LEU A 38 6.318 3.443 10.135 1.00 10.00 H new ATOM 0 HD11 LEU A 38 7.172 3.543 12.453 1.00 10.00 H new ATOM 0 HD12 LEU A 38 5.394 3.605 12.404 1.00 10.00 H new ATOM 0 HD13 LEU A 38 6.220 2.096 12.860 1.00 10.00 H new ATOM 0 HD21 LEU A 38 8.428 2.312 10.726 1.00 10.00 H new ATOM 0 HD22 LEU A 38 7.525 0.820 11.079 1.00 10.00 H new ATOM 0 HD23 LEU A 38 7.568 1.462 9.420 1.00 10.00 H new ATOM 171 N THR A 39 5.709 3.558 7.780 1.00 10.00 N ATOM 172 CA THR A 39 5.803 4.876 7.180 1.00 10.00 C ATOM 173 C THR A 39 4.870 4.994 5.977 1.00 10.00 C ATOM 174 O THR A 39 4.160 5.987 5.826 1.00 10.00 O ATOM 175 CB THR A 39 7.250 5.158 6.745 1.00 10.00 C ATOM 176 OG1 THR A 39 8.150 4.378 7.551 1.00 10.00 O ATOM 177 CG2 THR A 39 7.586 6.635 6.891 1.00 10.00 C ATOM 0 H THR A 39 6.570 3.014 7.727 1.00 10.00 H new ATOM 0 HA THR A 39 5.501 5.611 7.926 1.00 10.00 H new ATOM 0 HB THR A 39 7.356 4.885 5.695 1.00 10.00 H new ATOM 0 HG1 THR A 39 9.073 4.555 7.274 1.00 10.00 H new ATOM 0 HG21 THR A 39 8.615 6.807 6.577 1.00 10.00 H new ATOM 0 HG22 THR A 39 6.913 7.224 6.268 1.00 10.00 H new ATOM 0 HG23 THR A 39 7.470 6.933 7.933 1.00 10.00 H new ATOM 185 N TYR A 40 4.856 3.960 5.141 1.00 10.00 N ATOM 186 CA TYR A 40 4.004 3.938 3.958 1.00 10.00 C ATOM 187 C TYR A 40 2.537 3.869 4.367 1.00 10.00 C ATOM 188 O TYR A 40 1.680 4.505 3.757 1.00 10.00 O ATOM 189 CB TYR A 40 4.353 2.754 3.054 1.00 10.00 C ATOM 190 CG TYR A 40 3.660 2.796 1.713 1.00 10.00 C ATOM 191 CD1 TYR A 40 2.656 1.891 1.404 1.00 10.00 C ATOM 192 CD2 TYR A 40 4.014 3.736 0.757 1.00 10.00 C ATOM 193 CE1 TYR A 40 2.025 1.918 0.176 1.00 10.00 C ATOM 194 CE2 TYR A 40 3.387 3.773 -0.471 1.00 10.00 C ATOM 195 CZ TYR A 40 2.395 2.863 -0.759 1.00 10.00 C ATOM 196 OH TYR A 40 1.778 2.894 -1.986 1.00 10.00 O ATOM 0 H TYR A 40 5.427 3.124 5.262 1.00 10.00 H new ATOM 0 HA TYR A 40 4.175 4.858 3.399 1.00 10.00 H new ATOM 0 HB2 TYR A 40 5.431 2.733 2.896 1.00 10.00 H new ATOM 0 HB3 TYR A 40 4.087 1.828 3.563 1.00 10.00 H new ATOM 0 HD1 TYR A 40 2.363 1.153 2.136 1.00 10.00 H new ATOM 0 HD2 TYR A 40 4.793 4.451 0.977 1.00 10.00 H new ATOM 0 HE1 TYR A 40 1.247 1.204 -0.051 1.00 10.00 H new ATOM 0 HE2 TYR A 40 3.673 4.513 -1.204 1.00 10.00 H new ATOM 0 HH TYR A 40 2.156 3.621 -2.524 1.00 10.00 H new ATOM 206 N LEU A 41 2.260 3.102 5.417 1.00 10.00 N ATOM 207 CA LEU A 41 0.895 2.950 5.915 1.00 10.00 C ATOM 208 C LEU A 41 0.350 4.288 6.396 1.00 10.00 C ATOM 209 O LEU A 41 -0.804 4.638 6.140 1.00 10.00 O ATOM 210 CB LEU A 41 0.863 1.943 7.066 1.00 10.00 C ATOM 211 CG LEU A 41 -0.012 0.706 6.841 1.00 10.00 C ATOM 212 CD1 LEU A 41 -1.452 1.107 6.573 1.00 10.00 C ATOM 213 CD2 LEU A 41 0.529 -0.126 5.690 1.00 10.00 C ATOM 0 H LEU A 41 2.961 2.576 5.940 1.00 10.00 H new ATOM 0 HA LEU A 41 0.271 2.586 5.098 1.00 10.00 H new ATOM 0 HB2 LEU A 41 1.883 1.613 7.264 1.00 10.00 H new ATOM 0 HB3 LEU A 41 0.513 2.455 7.963 1.00 10.00 H new ATOM 0 HG LEU A 41 0.012 0.102 7.748 1.00 10.00 H new ATOM 0 HD11 LEU A 41 -2.055 0.213 6.416 1.00 10.00 H new ATOM 0 HD12 LEU A 41 -1.840 1.662 7.427 1.00 10.00 H new ATOM 0 HD13 LEU A 41 -1.495 1.735 5.683 1.00 10.00 H new ATOM 0 HD21 LEU A 41 -0.105 -1.001 5.544 1.00 10.00 H new ATOM 0 HD22 LEU A 41 0.536 0.473 4.780 1.00 10.00 H new ATOM 0 HD23 LEU A 41 1.545 -0.448 5.920 1.00 10.00 H new ATOM 225 N ASP A 42 1.203 5.035 7.082 1.00 10.00 N ATOM 226 CA ASP A 42 0.836 6.341 7.613 1.00 10.00 C ATOM 227 C ASP A 42 0.575 7.332 6.485 1.00 10.00 C ATOM 228 O ASP A 42 -0.315 8.176 6.588 1.00 10.00 O ATOM 229 CB ASP A 42 1.936 6.869 8.533 1.00 10.00 C ATOM 230 CG ASP A 42 1.456 8.011 9.404 1.00 10.00 C ATOM 231 OD1 ASP A 42 0.370 7.887 10.011 1.00 10.00 O ATOM 232 OD2 ASP A 42 2.164 9.038 9.488 1.00 10.00 O ATOM 0 H ASP A 42 2.163 4.756 7.286 1.00 10.00 H new ATOM 0 HA ASP A 42 -0.082 6.227 8.189 1.00 10.00 H new ATOM 0 HB2 ASP A 42 2.297 6.059 9.166 1.00 10.00 H new ATOM 0 HB3 ASP A 42 2.781 7.204 7.931 1.00 10.00 H new ATOM 237 N GLN A 43 1.345 7.212 5.405 1.00 10.00 N ATOM 238 CA GLN A 43 1.195 8.088 4.242 1.00 10.00 C ATOM 239 C GLN A 43 -0.208 7.972 3.657 1.00 10.00 C ATOM 240 O GLN A 43 -0.856 8.978 3.353 1.00 10.00 O ATOM 241 CB GLN A 43 2.232 7.734 3.175 1.00 10.00 C ATOM 242 CG GLN A 43 3.654 8.126 3.547 1.00 10.00 C ATOM 243 CD GLN A 43 3.904 9.615 3.418 1.00 10.00 C ATOM 244 OE1 GLN A 43 3.702 10.378 4.360 1.00 10.00 O ATOM 245 NE2 GLN A 43 4.353 10.037 2.247 1.00 10.00 N ATOM 0 H GLN A 43 2.082 6.514 5.310 1.00 10.00 H new ATOM 0 HA GLN A 43 1.354 9.116 4.567 1.00 10.00 H new ATOM 0 HB2 GLN A 43 2.198 6.660 2.990 1.00 10.00 H new ATOM 0 HB3 GLN A 43 1.962 8.227 2.241 1.00 10.00 H new ATOM 0 HG2 GLN A 43 3.855 7.816 4.572 1.00 10.00 H new ATOM 0 HG3 GLN A 43 4.354 7.588 2.908 1.00 10.00 H new ATOM 0 HE21 GLN A 43 4.508 9.371 1.490 1.00 10.00 H new ATOM 0 HE22 GLN A 43 4.544 11.028 2.101 1.00 10.00 H new ATOM 254 N VAL A 44 -0.670 6.734 3.519 1.00 10.00 N ATOM 255 CA VAL A 44 -1.999 6.454 2.987 1.00 10.00 C ATOM 256 C VAL A 44 -3.070 7.112 3.857 1.00 10.00 C ATOM 257 O VAL A 44 -4.089 7.605 3.361 1.00 10.00 O ATOM 258 CB VAL A 44 -2.259 4.928 2.913 1.00 10.00 C ATOM 259 CG1 VAL A 44 -3.648 4.634 2.362 1.00 10.00 C ATOM 260 CG2 VAL A 44 -1.203 4.241 2.058 1.00 10.00 C ATOM 0 H VAL A 44 -0.138 5.901 3.771 1.00 10.00 H new ATOM 0 HA VAL A 44 -2.048 6.866 1.979 1.00 10.00 H new ATOM 0 HB VAL A 44 -2.200 4.534 3.927 1.00 10.00 H new ATOM 0 HG11 VAL A 44 -3.803 3.556 2.321 1.00 10.00 H new ATOM 0 HG12 VAL A 44 -4.400 5.084 3.011 1.00 10.00 H new ATOM 0 HG13 VAL A 44 -3.737 5.051 1.359 1.00 10.00 H new ATOM 0 HG21 VAL A 44 -1.405 3.171 2.020 1.00 10.00 H new ATOM 0 HG22 VAL A 44 -1.229 4.651 1.048 1.00 10.00 H new ATOM 0 HG23 VAL A 44 -0.218 4.409 2.492 1.00 10.00 H new ATOM 270 N LYS A 45 -2.810 7.130 5.155 1.00 10.00 N ATOM 271 CA LYS A 45 -3.723 7.721 6.118 1.00 10.00 C ATOM 272 C LYS A 45 -3.800 9.236 5.936 1.00 10.00 C ATOM 273 O LYS A 45 -4.860 9.833 6.107 1.00 10.00 O ATOM 274 CB LYS A 45 -3.263 7.387 7.541 1.00 10.00 C ATOM 275 CG LYS A 45 -4.188 7.910 8.632 1.00 10.00 C ATOM 276 CD LYS A 45 -3.595 7.694 10.020 1.00 10.00 C ATOM 277 CE LYS A 45 -2.952 8.963 10.567 1.00 10.00 C ATOM 278 NZ LYS A 45 -1.777 9.398 9.766 1.00 10.00 N ATOM 0 H LYS A 45 -1.964 6.737 5.568 1.00 10.00 H new ATOM 0 HA LYS A 45 -4.717 7.306 5.952 1.00 10.00 H new ATOM 0 HB2 LYS A 45 -3.178 6.305 7.639 1.00 10.00 H new ATOM 0 HB3 LYS A 45 -2.266 7.800 7.696 1.00 10.00 H new ATOM 0 HG2 LYS A 45 -4.372 8.973 8.475 1.00 10.00 H new ATOM 0 HG3 LYS A 45 -5.152 7.406 8.565 1.00 10.00 H new ATOM 0 HD2 LYS A 45 -4.378 7.361 10.701 1.00 10.00 H new ATOM 0 HD3 LYS A 45 -2.850 6.899 9.977 1.00 10.00 H new ATOM 0 HE2 LYS A 45 -3.692 9.763 10.584 1.00 10.00 H new ATOM 0 HE3 LYS A 45 -2.642 8.794 11.598 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 -1.257 10.135 10.284 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 -1.151 8.585 9.599 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 -2.100 9.779 8.854 1.00 10.00 H new ATOM 292 N ILE A 46 -2.678 9.849 5.571 1.00 10.00 N ATOM 293 CA ILE A 46 -2.620 11.294 5.382 1.00 10.00 C ATOM 294 C ILE A 46 -3.272 11.698 4.063 1.00 10.00 C ATOM 295 O ILE A 46 -4.075 12.634 4.018 1.00 10.00 O ATOM 296 CB ILE A 46 -1.165 11.821 5.396 1.00 10.00 C ATOM 297 CG1 ILE A 46 -0.382 11.246 6.577 1.00 10.00 C ATOM 298 CG2 ILE A 46 -1.154 13.345 5.448 1.00 10.00 C ATOM 299 CD1 ILE A 46 1.078 11.649 6.587 1.00 10.00 C ATOM 0 H ILE A 46 -1.796 9.366 5.400 1.00 10.00 H new ATOM 0 HA ILE A 46 -3.164 11.737 6.216 1.00 10.00 H new ATOM 0 HB ILE A 46 -0.679 11.495 4.476 1.00 10.00 H new ATOM 0 HG12 ILE A 46 -0.848 11.574 7.506 1.00 10.00 H new ATOM 0 HG13 ILE A 46 -0.450 10.158 6.553 1.00 10.00 H new ATOM 0 HG21 ILE A 46 -0.124 13.701 5.457 1.00 10.00 H new ATOM 0 HG22 ILE A 46 -1.668 13.743 4.573 1.00 10.00 H new ATOM 0 HG23 ILE A 46 -1.663 13.682 6.351 1.00 10.00 H new ATOM 0 HD11 ILE A 46 1.572 11.206 7.452 1.00 10.00 H new ATOM 0 HD12 ILE A 46 1.559 11.297 5.674 1.00 10.00 H new ATOM 0 HD13 ILE A 46 1.155 12.735 6.642 1.00 10.00 H new ATOM 311 N ARG A 47 -2.919 10.986 2.994 1.00 10.00 N ATOM 312 CA ARG A 47 -3.450 11.274 1.663 1.00 10.00 C ATOM 313 C ARG A 47 -4.970 11.175 1.629 1.00 10.00 C ATOM 314 O ARG A 47 -5.645 12.058 1.100 1.00 10.00 O ATOM 315 CB ARG A 47 -2.854 10.316 0.633 1.00 10.00 C ATOM 316 CG ARG A 47 -1.670 10.891 -0.123 1.00 10.00 C ATOM 317 CD ARG A 47 -2.103 11.958 -1.116 1.00 10.00 C ATOM 318 NE ARG A 47 -0.958 12.569 -1.787 1.00 10.00 N ATOM 319 CZ ARG A 47 -1.044 13.302 -2.897 1.00 10.00 C ATOM 320 NH1 ARG A 47 -2.221 13.528 -3.469 1.00 10.00 N ATOM 321 NH2 ARG A 47 0.057 13.816 -3.434 1.00 10.00 N ATOM 0 H ARG A 47 -2.266 10.203 3.024 1.00 10.00 H new ATOM 0 HA ARG A 47 -3.169 12.298 1.416 1.00 10.00 H new ATOM 0 HB2 ARG A 47 -2.542 9.402 1.138 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -3.629 10.037 -0.081 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -0.959 11.319 0.584 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -1.152 10.091 -0.651 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -2.767 11.516 -1.859 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -2.674 12.728 -0.597 1.00 10.00 H new ATOM 0 HE ARG A 47 -0.034 12.425 -1.380 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -3.070 13.139 -3.059 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -2.276 14.090 -4.318 1.00 10.00 H new ATOM 0 HH21 ARG A 47 0.963 13.649 -2.997 1.00 10.00 H new ATOM 0 HH22 ARG A 47 -0.004 14.378 -4.283 1.00 10.00 H new ATOM 335 N PHE A 48 -5.510 10.106 2.191 1.00 10.00 N ATOM 336 CA PHE A 48 -6.954 9.916 2.209 1.00 10.00 C ATOM 337 C PHE A 48 -7.526 10.211 3.590 1.00 10.00 C ATOM 338 O PHE A 48 -8.211 9.380 4.188 1.00 10.00 O ATOM 339 CB PHE A 48 -7.312 8.496 1.771 1.00 10.00 C ATOM 340 CG PHE A 48 -7.231 8.297 0.280 1.00 10.00 C ATOM 341 CD1 PHE A 48 -8.336 8.526 -0.525 1.00 10.00 C ATOM 342 CD2 PHE A 48 -6.048 7.892 -0.317 1.00 10.00 C ATOM 343 CE1 PHE A 48 -8.264 8.353 -1.894 1.00 10.00 C ATOM 344 CE2 PHE A 48 -5.971 7.718 -1.687 1.00 10.00 C ATOM 345 CZ PHE A 48 -7.080 7.949 -2.475 1.00 10.00 C ATOM 0 H PHE A 48 -4.976 9.361 2.638 1.00 10.00 H new ATOM 0 HA PHE A 48 -7.397 10.619 1.503 1.00 10.00 H new ATOM 0 HB2 PHE A 48 -6.641 7.791 2.262 1.00 10.00 H new ATOM 0 HB3 PHE A 48 -8.322 8.262 2.108 1.00 10.00 H new ATOM 0 HD1 PHE A 48 -9.266 8.844 -0.076 1.00 10.00 H new ATOM 0 HD2 PHE A 48 -5.176 7.710 0.294 1.00 10.00 H new ATOM 0 HE1 PHE A 48 -9.134 8.534 -2.508 1.00 10.00 H new ATOM 0 HE2 PHE A 48 -5.043 7.401 -2.140 1.00 10.00 H new ATOM 0 HZ PHE A 48 -7.021 7.814 -3.545 1.00 10.00 H new ATOM 355 N GLY A 49 -7.237 11.400 4.095 1.00 10.00 N ATOM 356 CA GLY A 49 -7.739 11.793 5.394 1.00 10.00 C ATOM 357 C GLY A 49 -9.185 12.230 5.321 1.00 10.00 C ATOM 358 O GLY A 49 -9.971 11.964 6.232 1.00 10.00 O ATOM 0 H GLY A 49 -6.663 12.101 3.627 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -7.645 10.959 6.089 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -7.131 12.607 5.789 1.00 10.00 H new ATOM 362 N SER A 50 -9.541 12.892 4.228 1.00 10.00 N ATOM 363 CA SER A 50 -10.904 13.365 4.020 1.00 10.00 C ATOM 364 C SER A 50 -11.784 12.260 3.436 1.00 10.00 C ATOM 365 O SER A 50 -12.949 12.487 3.104 1.00 10.00 O ATOM 366 CB SER A 50 -10.893 14.580 3.093 1.00 10.00 C ATOM 367 OG SER A 50 -9.667 14.665 2.383 1.00 10.00 O ATOM 0 H SER A 50 -8.900 13.115 3.467 1.00 10.00 H new ATOM 0 HA SER A 50 -11.322 13.653 4.985 1.00 10.00 H new ATOM 0 HB2 SER A 50 -11.722 14.512 2.388 1.00 10.00 H new ATOM 0 HB3 SER A 50 -11.044 15.489 3.676 1.00 10.00 H new ATOM 0 HG SER A 50 -9.683 15.449 1.795 1.00 10.00 H new ATOM 373 N ASP A 51 -11.216 11.068 3.314 1.00 10.00 N ATOM 374 CA ASP A 51 -11.939 9.922 2.781 1.00 10.00 C ATOM 375 C ASP A 51 -11.605 8.677 3.589 1.00 10.00 C ATOM 376 O ASP A 51 -10.669 7.940 3.268 1.00 10.00 O ATOM 377 CB ASP A 51 -11.602 9.701 1.304 1.00 10.00 C ATOM 378 CG ASP A 51 -12.550 8.722 0.637 1.00 10.00 C ATOM 379 OD1 ASP A 51 -12.545 7.529 1.001 1.00 10.00 O ATOM 380 OD2 ASP A 51 -13.302 9.143 -0.266 1.00 10.00 O ATOM 0 H ASP A 51 -10.251 10.869 3.579 1.00 10.00 H new ATOM 0 HA ASP A 51 -13.008 10.123 2.858 1.00 10.00 H new ATOM 0 HB2 ASP A 51 -11.640 10.655 0.778 1.00 10.00 H new ATOM 0 HB3 ASP A 51 -10.581 9.330 1.218 1.00 10.00 H new ATOM 385 N PRO A 52 -12.355 8.436 4.674 1.00 10.00 N ATOM 386 CA PRO A 52 -12.130 7.279 5.540 1.00 10.00 C ATOM 387 C PRO A 52 -12.526 5.964 4.876 1.00 10.00 C ATOM 388 O PRO A 52 -12.050 4.900 5.268 1.00 10.00 O ATOM 389 CB PRO A 52 -13.018 7.556 6.754 1.00 10.00 C ATOM 390 CG PRO A 52 -14.083 8.476 6.266 1.00 10.00 C ATOM 391 CD PRO A 52 -13.472 9.279 5.147 1.00 10.00 C ATOM 0 HA PRO A 52 -11.075 7.162 5.788 1.00 10.00 H new ATOM 0 HB2 PRO A 52 -13.446 6.633 7.146 1.00 10.00 H new ATOM 0 HB3 PRO A 52 -12.446 8.011 7.563 1.00 10.00 H new ATOM 0 HG2 PRO A 52 -14.949 7.915 5.914 1.00 10.00 H new ATOM 0 HG3 PRO A 52 -14.430 9.128 7.067 1.00 10.00 H new ATOM 0 HD2 PRO A 52 -14.193 9.470 4.352 1.00 10.00 H new ATOM 0 HD3 PRO A 52 -13.120 10.249 5.497 1.00 10.00 H new ATOM 399 N ALA A 53 -13.381 6.046 3.859 1.00 10.00 N ATOM 400 CA ALA A 53 -13.846 4.862 3.152 1.00 10.00 C ATOM 401 C ALA A 53 -12.694 4.138 2.466 1.00 10.00 C ATOM 402 O ALA A 53 -12.555 2.918 2.589 1.00 10.00 O ATOM 403 CB ALA A 53 -14.919 5.232 2.143 1.00 10.00 C ATOM 0 H ALA A 53 -13.765 6.923 3.508 1.00 10.00 H new ATOM 0 HA ALA A 53 -14.277 4.182 3.887 1.00 10.00 H new ATOM 0 HB1 ALA A 53 -15.255 4.335 1.624 1.00 10.00 H new ATOM 0 HB2 ALA A 53 -15.763 5.689 2.660 1.00 10.00 H new ATOM 0 HB3 ALA A 53 -14.511 5.938 1.420 1.00 10.00 H new ATOM 409 N THR A 54 -11.863 4.892 1.758 1.00 10.00 N ATOM 410 CA THR A 54 -10.725 4.315 1.060 1.00 10.00 C ATOM 411 C THR A 54 -9.747 3.691 2.052 1.00 10.00 C ATOM 412 O THR A 54 -9.255 2.578 1.847 1.00 10.00 O ATOM 413 CB THR A 54 -10.003 5.376 0.209 1.00 10.00 C ATOM 414 OG1 THR A 54 -10.965 6.144 -0.522 1.00 10.00 O ATOM 415 CG2 THR A 54 -9.041 4.724 -0.769 1.00 10.00 C ATOM 0 H THR A 54 -11.957 5.902 1.653 1.00 10.00 H new ATOM 0 HA THR A 54 -11.101 3.537 0.396 1.00 10.00 H new ATOM 0 HB THR A 54 -9.438 6.024 0.879 1.00 10.00 H new ATOM 0 HG1 THR A 54 -11.343 6.835 0.061 1.00 10.00 H new ATOM 0 HG21 THR A 54 -8.544 5.494 -1.358 1.00 10.00 H new ATOM 0 HG22 THR A 54 -8.295 4.150 -0.218 1.00 10.00 H new ATOM 0 HG23 THR A 54 -9.593 4.059 -1.433 1.00 10.00 H new ATOM 423 N TYR A 55 -9.493 4.399 3.146 1.00 10.00 N ATOM 424 CA TYR A 55 -8.581 3.917 4.172 1.00 10.00 C ATOM 425 C TYR A 55 -9.130 2.659 4.842 1.00 10.00 C ATOM 426 O TYR A 55 -8.389 1.721 5.134 1.00 10.00 O ATOM 427 CB TYR A 55 -8.352 5.013 5.212 1.00 10.00 C ATOM 428 CG TYR A 55 -7.306 4.673 6.254 1.00 10.00 C ATOM 429 CD1 TYR A 55 -5.963 4.566 5.914 1.00 10.00 C ATOM 430 CD2 TYR A 55 -7.662 4.472 7.583 1.00 10.00 C ATOM 431 CE1 TYR A 55 -5.006 4.270 6.866 1.00 10.00 C ATOM 432 CE2 TYR A 55 -6.709 4.174 8.540 1.00 10.00 C ATOM 433 CZ TYR A 55 -5.385 4.076 8.176 1.00 10.00 C ATOM 434 OH TYR A 55 -4.437 3.782 9.127 1.00 10.00 O ATOM 0 H TYR A 55 -9.907 5.310 3.344 1.00 10.00 H new ATOM 0 HA TYR A 55 -7.631 3.662 3.702 1.00 10.00 H new ATOM 0 HB2 TYR A 55 -8.054 5.928 4.700 1.00 10.00 H new ATOM 0 HB3 TYR A 55 -9.296 5.223 5.716 1.00 10.00 H new ATOM 0 HD1 TYR A 55 -5.662 4.717 4.888 1.00 10.00 H new ATOM 0 HD2 TYR A 55 -8.700 4.550 7.873 1.00 10.00 H new ATOM 0 HE1 TYR A 55 -3.966 4.191 6.584 1.00 10.00 H new ATOM 0 HE2 TYR A 55 -7.002 4.019 9.568 1.00 10.00 H new ATOM 0 HH TYR A 55 -4.871 3.677 10.000 1.00 10.00 H new ATOM 444 N ASN A 56 -10.437 2.649 5.079 1.00 10.00 N ATOM 445 CA ASN A 56 -11.097 1.516 5.712 1.00 10.00 C ATOM 446 C ASN A 56 -11.038 0.287 4.813 1.00 10.00 C ATOM 447 O ASN A 56 -10.895 -0.842 5.290 1.00 10.00 O ATOM 448 CB ASN A 56 -12.552 1.861 6.038 1.00 10.00 C ATOM 449 CG ASN A 56 -12.931 1.495 7.458 1.00 10.00 C ATOM 450 OD1 ASN A 56 -12.076 1.379 8.332 1.00 10.00 O ATOM 451 ND2 ASN A 56 -14.217 1.326 7.701 1.00 10.00 N ATOM 0 H ASN A 56 -11.063 3.418 4.840 1.00 10.00 H new ATOM 0 HA ASN A 56 -10.572 1.291 6.640 1.00 10.00 H new ATOM 0 HB2 ASN A 56 -12.712 2.929 5.887 1.00 10.00 H new ATOM 0 HB3 ASN A 56 -13.210 1.339 5.344 1.00 10.00 H new ATOM 0 HD21 ASN A 56 -14.531 1.090 8.642 1.00 10.00 H new ATOM 0 HD22 ASN A 56 -14.897 1.431 6.948 1.00 10.00 H new ATOM 458 N GLY A 57 -11.141 0.523 3.507 1.00 10.00 N ATOM 459 CA GLY A 57 -11.086 -0.560 2.546 1.00 10.00 C ATOM 460 C GLY A 57 -9.698 -1.163 2.466 1.00 10.00 C ATOM 461 O GLY A 57 -9.544 -2.368 2.255 1.00 10.00 O ATOM 0 H GLY A 57 -11.262 1.450 3.099 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -11.803 -1.332 2.825 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -11.381 -0.191 1.564 1.00 10.00 H new ATOM 465 N PHE A 58 -8.686 -0.317 2.647 1.00 10.00 N ATOM 466 CA PHE A 58 -7.295 -0.751 2.605 1.00 10.00 C ATOM 467 C PHE A 58 -7.037 -1.812 3.675 1.00 10.00 C ATOM 468 O PHE A 58 -6.262 -2.752 3.468 1.00 10.00 O ATOM 469 CB PHE A 58 -6.366 0.453 2.808 1.00 10.00 C ATOM 470 CG PHE A 58 -4.913 0.151 2.575 1.00 10.00 C ATOM 471 CD1 PHE A 58 -4.043 0.004 3.643 1.00 10.00 C ATOM 472 CD2 PHE A 58 -4.418 0.022 1.286 1.00 10.00 C ATOM 473 CE1 PHE A 58 -2.706 -0.266 3.429 1.00 10.00 C ATOM 474 CE2 PHE A 58 -3.081 -0.248 1.067 1.00 10.00 C ATOM 475 CZ PHE A 58 -2.222 -0.391 2.140 1.00 10.00 C ATOM 0 H PHE A 58 -8.807 0.680 2.825 1.00 10.00 H new ATOM 0 HA PHE A 58 -7.091 -1.191 1.629 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -6.673 1.253 2.134 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -6.490 0.827 3.824 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -4.414 0.102 4.653 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -5.085 0.134 0.444 1.00 10.00 H new ATOM 0 HE1 PHE A 58 -2.037 -0.380 4.270 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -2.708 -0.347 0.058 1.00 10.00 H new ATOM 0 HZ PHE A 58 -1.176 -0.600 1.972 1.00 10.00 H new ATOM 485 N LEU A 59 -7.712 -1.663 4.811 1.00 10.00 N ATOM 486 CA LEU A 59 -7.583 -2.598 5.920 1.00 10.00 C ATOM 487 C LEU A 59 -8.064 -3.990 5.510 1.00 10.00 C ATOM 488 O LEU A 59 -7.439 -5.002 5.837 1.00 10.00 O ATOM 489 CB LEU A 59 -8.390 -2.100 7.122 1.00 10.00 C ATOM 490 CG LEU A 59 -7.739 -0.973 7.927 1.00 10.00 C ATOM 491 CD1 LEU A 59 -8.779 -0.234 8.751 1.00 10.00 C ATOM 492 CD2 LEU A 59 -6.644 -1.530 8.822 1.00 10.00 C ATOM 0 H LEU A 59 -8.360 -0.895 4.987 1.00 10.00 H new ATOM 0 HA LEU A 59 -6.531 -2.662 6.197 1.00 10.00 H new ATOM 0 HB2 LEU A 59 -9.362 -1.757 6.768 1.00 10.00 H new ATOM 0 HB3 LEU A 59 -8.573 -2.942 7.790 1.00 10.00 H new ATOM 0 HG LEU A 59 -7.291 -0.264 7.231 1.00 10.00 H new ATOM 0 HD11 LEU A 59 -8.296 0.563 9.316 1.00 10.00 H new ATOM 0 HD12 LEU A 59 -9.531 0.195 8.088 1.00 10.00 H new ATOM 0 HD13 LEU A 59 -9.258 -0.929 9.441 1.00 10.00 H new ATOM 0 HD21 LEU A 59 -6.189 -0.718 9.389 1.00 10.00 H new ATOM 0 HD22 LEU A 59 -7.072 -2.258 9.511 1.00 10.00 H new ATOM 0 HD23 LEU A 59 -5.884 -2.014 8.209 1.00 10.00 H new ATOM 504 N GLU A 60 -9.167 -4.030 4.771 1.00 10.00 N ATOM 505 CA GLU A 60 -9.742 -5.287 4.312 1.00 10.00 C ATOM 506 C GLU A 60 -8.819 -5.964 3.304 1.00 10.00 C ATOM 507 O GLU A 60 -8.783 -7.193 3.205 1.00 10.00 O ATOM 508 CB GLU A 60 -11.120 -5.050 3.683 1.00 10.00 C ATOM 509 CG GLU A 60 -12.123 -4.384 4.612 1.00 10.00 C ATOM 510 CD GLU A 60 -12.216 -5.082 5.949 1.00 10.00 C ATOM 511 OE1 GLU A 60 -12.698 -6.232 5.997 1.00 10.00 O ATOM 512 OE2 GLU A 60 -11.804 -4.484 6.963 1.00 10.00 O ATOM 0 H GLU A 60 -9.683 -3.201 4.476 1.00 10.00 H new ATOM 0 HA GLU A 60 -9.858 -5.942 5.175 1.00 10.00 H new ATOM 0 HB2 GLU A 60 -10.999 -4.432 2.793 1.00 10.00 H new ATOM 0 HB3 GLU A 60 -11.526 -6.006 3.354 1.00 10.00 H new ATOM 0 HG2 GLU A 60 -11.837 -3.344 4.767 1.00 10.00 H new ATOM 0 HG3 GLU A 60 -13.105 -4.377 4.139 1.00 10.00 H new ATOM 519 N ILE A 61 -8.075 -5.155 2.559 1.00 10.00 N ATOM 520 CA ILE A 61 -7.142 -5.664 1.562 1.00 10.00 C ATOM 521 C ILE A 61 -6.015 -6.439 2.235 1.00 10.00 C ATOM 522 O ILE A 61 -5.685 -7.556 1.833 1.00 10.00 O ATOM 523 CB ILE A 61 -6.544 -4.512 0.725 1.00 10.00 C ATOM 524 CG1 ILE A 61 -7.648 -3.820 -0.078 1.00 10.00 C ATOM 525 CG2 ILE A 61 -5.442 -5.028 -0.195 1.00 10.00 C ATOM 526 CD1 ILE A 61 -7.167 -2.622 -0.871 1.00 10.00 C ATOM 0 H ILE A 61 -8.101 -4.138 2.628 1.00 10.00 H new ATOM 0 HA ILE A 61 -7.694 -6.330 0.899 1.00 10.00 H new ATOM 0 HB ILE A 61 -6.098 -3.782 1.401 1.00 10.00 H new ATOM 0 HG12 ILE A 61 -8.094 -4.542 -0.762 1.00 10.00 H new ATOM 0 HG13 ILE A 61 -8.435 -3.500 0.605 1.00 10.00 H new ATOM 0 HG21 ILE A 61 -5.035 -4.200 -0.775 1.00 10.00 H new ATOM 0 HG22 ILE A 61 -4.649 -5.476 0.403 1.00 10.00 H new ATOM 0 HG23 ILE A 61 -5.854 -5.777 -0.871 1.00 10.00 H new ATOM 0 HD11 ILE A 61 -8.005 -2.185 -1.414 1.00 10.00 H new ATOM 0 HD12 ILE A 61 -6.748 -1.880 -0.191 1.00 10.00 H new ATOM 0 HD13 ILE A 61 -6.401 -2.938 -1.580 1.00 10.00 H new ATOM 538 N MET A 62 -5.440 -5.844 3.276 1.00 10.00 N ATOM 539 CA MET A 62 -4.345 -6.474 4.000 1.00 10.00 C ATOM 540 C MET A 62 -4.816 -7.737 4.717 1.00 10.00 C ATOM 541 O MET A 62 -4.036 -8.662 4.940 1.00 10.00 O ATOM 542 CB MET A 62 -3.727 -5.498 5.000 1.00 10.00 C ATOM 543 CG MET A 62 -3.060 -4.299 4.340 1.00 10.00 C ATOM 544 SD MET A 62 -1.824 -3.507 5.394 1.00 10.00 S ATOM 545 CE MET A 62 -0.539 -4.758 5.409 1.00 10.00 C ATOM 0 H MET A 62 -5.714 -4.929 3.635 1.00 10.00 H new ATOM 0 HA MET A 62 -3.584 -6.757 3.273 1.00 10.00 H new ATOM 0 HB2 MET A 62 -4.503 -5.145 5.679 1.00 10.00 H new ATOM 0 HB3 MET A 62 -2.991 -6.027 5.605 1.00 10.00 H new ATOM 0 HG2 MET A 62 -2.586 -4.619 3.412 1.00 10.00 H new ATOM 0 HG3 MET A 62 -3.823 -3.568 4.072 1.00 10.00 H new ATOM 0 HE1 MET A 62 0.418 -4.294 5.649 1.00 10.00 H new ATOM 0 HE2 MET A 62 -0.775 -5.513 6.159 1.00 10.00 H new ATOM 0 HE3 MET A 62 -0.478 -5.229 4.428 1.00 10.00 H new ATOM 555 N LYS A 63 -6.098 -7.774 5.059 1.00 10.00 N ATOM 556 CA LYS A 63 -6.680 -8.926 5.743 1.00 10.00 C ATOM 557 C LYS A 63 -6.613 -10.174 4.866 1.00 10.00 C ATOM 558 O LYS A 63 -6.281 -11.261 5.345 1.00 10.00 O ATOM 559 CB LYS A 63 -8.130 -8.637 6.130 1.00 10.00 C ATOM 560 CG LYS A 63 -8.272 -7.777 7.373 1.00 10.00 C ATOM 561 CD LYS A 63 -9.732 -7.455 7.654 1.00 10.00 C ATOM 562 CE LYS A 63 -9.885 -6.597 8.899 1.00 10.00 C ATOM 563 NZ LYS A 63 -11.260 -6.037 9.021 1.00 10.00 N ATOM 0 H LYS A 63 -6.757 -7.018 4.874 1.00 10.00 H new ATOM 0 HA LYS A 63 -6.100 -9.110 6.647 1.00 10.00 H new ATOM 0 HB2 LYS A 63 -8.627 -8.140 5.297 1.00 10.00 H new ATOM 0 HB3 LYS A 63 -8.648 -9.582 6.292 1.00 10.00 H new ATOM 0 HG2 LYS A 63 -7.840 -8.296 8.229 1.00 10.00 H new ATOM 0 HG3 LYS A 63 -7.711 -6.851 7.244 1.00 10.00 H new ATOM 0 HD2 LYS A 63 -10.162 -6.935 6.798 1.00 10.00 H new ATOM 0 HD3 LYS A 63 -10.292 -8.382 7.779 1.00 10.00 H new ATOM 0 HE2 LYS A 63 -9.656 -7.194 9.782 1.00 10.00 H new ATOM 0 HE3 LYS A 63 -9.162 -5.782 8.869 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 -11.458 -5.818 10.018 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 -11.332 -5.168 8.455 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 -11.951 -6.734 8.676 1.00 10.00 H new ATOM 577 N GLU A 64 -6.905 -10.004 3.575 1.00 10.00 N ATOM 578 CA GLU A 64 -6.878 -11.121 2.627 1.00 10.00 C ATOM 579 C GLU A 64 -5.461 -11.675 2.495 1.00 10.00 C ATOM 580 O GLU A 64 -5.263 -12.876 2.297 1.00 10.00 O ATOM 581 CB GLU A 64 -7.399 -10.684 1.250 1.00 10.00 C ATOM 582 CG GLU A 64 -8.778 -10.044 1.284 1.00 10.00 C ATOM 583 CD GLU A 64 -9.329 -9.767 -0.103 1.00 10.00 C ATOM 584 OE1 GLU A 64 -10.481 -10.170 -0.380 1.00 10.00 O ATOM 585 OE2 GLU A 64 -8.620 -9.154 -0.927 1.00 10.00 O ATOM 0 H GLU A 64 -7.162 -9.107 3.163 1.00 10.00 H new ATOM 0 HA GLU A 64 -7.531 -11.904 3.012 1.00 10.00 H new ATOM 0 HB2 GLU A 64 -6.693 -9.978 0.813 1.00 10.00 H new ATOM 0 HB3 GLU A 64 -7.429 -11.553 0.592 1.00 10.00 H new ATOM 0 HG2 GLU A 64 -9.465 -10.699 1.819 1.00 10.00 H new ATOM 0 HG3 GLU A 64 -8.727 -9.110 1.844 1.00 10.00 H new ATOM 592 N PHE A 65 -4.481 -10.785 2.612 1.00 10.00 N ATOM 593 CA PHE A 65 -3.080 -11.165 2.513 1.00 10.00 C ATOM 594 C PHE A 65 -2.630 -11.877 3.783 1.00 10.00 C ATOM 595 O PHE A 65 -1.919 -12.880 3.727 1.00 10.00 O ATOM 596 CB PHE A 65 -2.210 -9.924 2.248 1.00 10.00 C ATOM 597 CG PHE A 65 -0.740 -10.151 2.469 1.00 10.00 C ATOM 598 CD1 PHE A 65 -0.077 -9.500 3.497 1.00 10.00 C ATOM 599 CD2 PHE A 65 -0.026 -11.013 1.654 1.00 10.00 C ATOM 600 CE1 PHE A 65 1.274 -9.706 3.710 1.00 10.00 C ATOM 601 CE2 PHE A 65 1.324 -11.223 1.860 1.00 10.00 C ATOM 602 CZ PHE A 65 1.976 -10.569 2.890 1.00 10.00 C ATOM 0 H PHE A 65 -4.635 -9.790 2.776 1.00 10.00 H new ATOM 0 HA PHE A 65 -2.963 -11.854 1.676 1.00 10.00 H new ATOM 0 HB2 PHE A 65 -2.366 -9.596 1.220 1.00 10.00 H new ATOM 0 HB3 PHE A 65 -2.544 -9.113 2.896 1.00 10.00 H new ATOM 0 HD1 PHE A 65 -0.622 -8.824 4.139 1.00 10.00 H new ATOM 0 HD2 PHE A 65 -0.530 -11.527 0.849 1.00 10.00 H new ATOM 0 HE1 PHE A 65 1.779 -9.194 4.515 1.00 10.00 H new ATOM 0 HE2 PHE A 65 1.870 -11.897 1.217 1.00 10.00 H new ATOM 0 HZ PHE A 65 3.031 -10.732 3.053 1.00 10.00 H new ATOM 612 N LYS A 66 -3.074 -11.361 4.925 1.00 10.00 N ATOM 613 CA LYS A 66 -2.721 -11.927 6.225 1.00 10.00 C ATOM 614 C LYS A 66 -3.241 -13.353 6.368 1.00 10.00 C ATOM 615 O LYS A 66 -2.608 -14.193 7.006 1.00 10.00 O ATOM 616 CB LYS A 66 -3.280 -11.064 7.355 1.00 10.00 C ATOM 617 CG LYS A 66 -2.537 -9.755 7.554 1.00 10.00 C ATOM 618 CD LYS A 66 -3.230 -8.867 8.578 1.00 10.00 C ATOM 619 CE LYS A 66 -3.224 -9.490 9.967 1.00 10.00 C ATOM 620 NZ LYS A 66 -1.883 -9.425 10.608 1.00 10.00 N ATOM 0 H LYS A 66 -3.684 -10.545 4.977 1.00 10.00 H new ATOM 0 HA LYS A 66 -1.633 -11.946 6.290 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -4.328 -10.848 7.149 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -3.248 -11.633 8.284 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -1.518 -9.961 7.881 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -2.467 -9.228 6.603 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -2.733 -7.897 8.613 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -4.259 -8.687 8.265 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -3.951 -8.976 10.597 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -3.541 -10.530 9.898 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -1.928 -9.861 11.551 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -1.193 -9.937 10.022 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -1.590 -8.431 10.699 1.00 10.00 H new ATOM 634 N SER A 67 -4.398 -13.620 5.781 1.00 10.00 N ATOM 635 CA SER A 67 -4.998 -14.945 5.842 1.00 10.00 C ATOM 636 C SER A 67 -4.397 -15.869 4.788 1.00 10.00 C ATOM 637 O SER A 67 -4.763 -17.040 4.697 1.00 10.00 O ATOM 638 CB SER A 67 -6.508 -14.843 5.660 1.00 10.00 C ATOM 639 OG SER A 67 -7.094 -14.115 6.725 1.00 10.00 O ATOM 0 H SER A 67 -4.941 -12.935 5.256 1.00 10.00 H new ATOM 0 HA SER A 67 -4.786 -15.372 6.822 1.00 10.00 H new ATOM 0 HB2 SER A 67 -6.733 -14.354 4.712 1.00 10.00 H new ATOM 0 HB3 SER A 67 -6.942 -15.842 5.614 1.00 10.00 H new ATOM 0 HG SER A 67 -6.987 -13.154 6.562 1.00 10.00 H new ATOM 645 N GLN A 68 -3.463 -15.330 4.000 1.00 10.00 N ATOM 646 CA GLN A 68 -2.780 -16.087 2.948 1.00 10.00 C ATOM 647 C GLN A 68 -3.755 -16.551 1.870 1.00 10.00 C ATOM 648 O GLN A 68 -3.492 -17.515 1.147 1.00 10.00 O ATOM 649 CB GLN A 68 -2.038 -17.287 3.548 1.00 10.00 C ATOM 650 CG GLN A 68 -1.016 -16.897 4.597 1.00 10.00 C ATOM 651 CD GLN A 68 -0.454 -18.087 5.348 1.00 10.00 C ATOM 652 OE1 GLN A 68 -1.275 -19.102 5.572 1.00 10.00 O flip ATOM 653 NE2 GLN A 68 0.715 -18.087 5.738 1.00 10.00 N flip ATOM 0 H GLN A 68 -3.160 -14.359 4.073 1.00 10.00 H new ATOM 0 HA GLN A 68 -2.055 -15.422 2.478 1.00 10.00 H new ATOM 0 HB2 GLN A 68 -2.763 -17.968 3.993 1.00 10.00 H new ATOM 0 HB3 GLN A 68 -1.537 -17.833 2.748 1.00 10.00 H new ATOM 0 HG2 GLN A 68 -0.199 -16.358 4.117 1.00 10.00 H new ATOM 0 HG3 GLN A 68 -1.477 -16.211 5.307 1.00 10.00 H new ATOM 0 HE21 GLN A 68 1.317 -17.286 5.546 1.00 10.00 H new ATOM 0 HE22 GLN A 68 1.081 -18.888 6.253 1.00 10.00 H new ATOM 662 N SER A 69 -4.878 -15.856 1.764 1.00 10.00 N ATOM 663 CA SER A 69 -5.878 -16.181 0.762 1.00 10.00 C ATOM 664 C SER A 69 -5.410 -15.655 -0.589 1.00 10.00 C ATOM 665 O SER A 69 -5.515 -16.334 -1.611 1.00 10.00 O ATOM 666 CB SER A 69 -7.222 -15.561 1.144 1.00 10.00 C ATOM 667 OG SER A 69 -7.304 -15.357 2.547 1.00 10.00 O ATOM 0 H SER A 69 -5.118 -15.064 2.360 1.00 10.00 H new ATOM 0 HA SER A 69 -6.007 -17.262 0.703 1.00 10.00 H new ATOM 0 HB2 SER A 69 -7.349 -14.610 0.626 1.00 10.00 H new ATOM 0 HB3 SER A 69 -8.033 -16.212 0.819 1.00 10.00 H new ATOM 0 HG SER A 69 -8.171 -14.958 2.769 1.00 10.00 H new ATOM 673 N ILE A 70 -4.856 -14.449 -0.576 1.00 10.00 N ATOM 674 CA ILE A 70 -4.352 -13.825 -1.786 1.00 10.00 C ATOM 675 C ILE A 70 -2.841 -13.654 -1.696 1.00 10.00 C ATOM 676 O ILE A 70 -2.254 -13.789 -0.617 1.00 10.00 O ATOM 677 CB ILE A 70 -5.012 -12.450 -2.041 1.00 10.00 C ATOM 678 CG1 ILE A 70 -4.573 -11.424 -0.994 1.00 10.00 C ATOM 679 CG2 ILE A 70 -6.527 -12.593 -2.039 1.00 10.00 C ATOM 680 CD1 ILE A 70 -4.997 -10.005 -1.309 1.00 10.00 C ATOM 0 H ILE A 70 -4.745 -13.884 0.266 1.00 10.00 H new ATOM 0 HA ILE A 70 -4.602 -14.480 -2.620 1.00 10.00 H new ATOM 0 HB ILE A 70 -4.688 -12.091 -3.018 1.00 10.00 H new ATOM 0 HG12 ILE A 70 -4.984 -11.709 -0.026 1.00 10.00 H new ATOM 0 HG13 ILE A 70 -3.487 -11.456 -0.901 1.00 10.00 H new ATOM 0 HG21 ILE A 70 -6.985 -11.620 -2.219 1.00 10.00 H new ATOM 0 HG22 ILE A 70 -6.828 -13.287 -2.824 1.00 10.00 H new ATOM 0 HG23 ILE A 70 -6.855 -12.975 -1.072 1.00 10.00 H new ATOM 0 HD11 ILE A 70 -4.649 -9.338 -0.521 1.00 10.00 H new ATOM 0 HD12 ILE A 70 -4.564 -9.699 -2.261 1.00 10.00 H new ATOM 0 HD13 ILE A 70 -6.084 -9.956 -1.372 1.00 10.00 H new ATOM 692 N ASP A 71 -2.219 -13.370 -2.827 1.00 10.00 N ATOM 693 CA ASP A 71 -0.778 -13.178 -2.886 1.00 10.00 C ATOM 694 C ASP A 71 -0.465 -11.806 -3.463 1.00 10.00 C ATOM 695 O ASP A 71 -1.361 -10.969 -3.567 1.00 10.00 O ATOM 696 CB ASP A 71 -0.136 -14.281 -3.734 1.00 10.00 C ATOM 697 CG ASP A 71 -0.261 -15.656 -3.097 1.00 10.00 C ATOM 698 OD1 ASP A 71 0.538 -15.973 -2.190 1.00 10.00 O ATOM 699 OD2 ASP A 71 -1.163 -16.424 -3.499 1.00 10.00 O ATOM 0 H ASP A 71 -2.693 -13.266 -3.724 1.00 10.00 H new ATOM 0 HA ASP A 71 -0.365 -13.235 -1.879 1.00 10.00 H new ATOM 0 HB2 ASP A 71 -0.604 -14.297 -4.718 1.00 10.00 H new ATOM 0 HB3 ASP A 71 0.918 -14.050 -3.886 1.00 10.00 H new ATOM 704 N THR A 72 0.791 -11.578 -3.841 1.00 10.00 N ATOM 705 CA THR A 72 1.206 -10.298 -4.406 1.00 10.00 C ATOM 706 C THR A 72 0.265 -9.831 -5.529 1.00 10.00 C ATOM 707 O THR A 72 -0.287 -8.731 -5.444 1.00 10.00 O ATOM 708 CB THR A 72 2.656 -10.365 -4.920 1.00 10.00 C ATOM 709 OG1 THR A 72 3.482 -11.022 -3.949 1.00 10.00 O ATOM 710 CG2 THR A 72 3.196 -8.969 -5.194 1.00 10.00 C ATOM 0 H THR A 72 1.540 -12.266 -3.765 1.00 10.00 H new ATOM 0 HA THR A 72 1.152 -9.565 -3.601 1.00 10.00 H new ATOM 0 HB THR A 72 2.668 -10.929 -5.852 1.00 10.00 H new ATOM 0 HG1 THR A 72 4.404 -11.065 -4.279 1.00 10.00 H new ATOM 0 HG21 THR A 72 4.222 -9.040 -5.556 1.00 10.00 H new ATOM 0 HG22 THR A 72 2.578 -8.481 -5.948 1.00 10.00 H new ATOM 0 HG23 THR A 72 3.176 -8.384 -4.274 1.00 10.00 H new ATOM 718 N PRO A 73 0.040 -10.659 -6.581 1.00 10.00 N ATOM 719 CA PRO A 73 -0.858 -10.299 -7.689 1.00 10.00 C ATOM 720 C PRO A 73 -2.264 -9.942 -7.211 1.00 10.00 C ATOM 721 O PRO A 73 -2.927 -9.066 -7.776 1.00 10.00 O ATOM 722 CB PRO A 73 -0.896 -11.566 -8.559 1.00 10.00 C ATOM 723 CG PRO A 73 -0.327 -12.654 -7.714 1.00 10.00 C ATOM 724 CD PRO A 73 0.651 -11.984 -6.801 1.00 10.00 C ATOM 0 HA PRO A 73 -0.504 -9.415 -8.219 1.00 10.00 H new ATOM 0 HB2 PRO A 73 -1.916 -11.800 -8.865 1.00 10.00 H new ATOM 0 HB3 PRO A 73 -0.313 -11.433 -9.470 1.00 10.00 H new ATOM 0 HG2 PRO A 73 -1.109 -13.160 -7.148 1.00 10.00 H new ATOM 0 HG3 PRO A 73 0.163 -13.411 -8.327 1.00 10.00 H new ATOM 0 HD2 PRO A 73 0.774 -12.533 -5.867 1.00 10.00 H new ATOM 0 HD3 PRO A 73 1.638 -11.903 -7.255 1.00 10.00 H new ATOM 732 N GLY A 74 -2.709 -10.618 -6.160 1.00 10.00 N ATOM 733 CA GLY A 74 -4.024 -10.362 -5.619 1.00 10.00 C ATOM 734 C GLY A 74 -4.105 -9.010 -4.947 1.00 10.00 C ATOM 735 O GLY A 74 -5.069 -8.267 -5.145 1.00 10.00 O ATOM 0 H GLY A 74 -2.179 -11.341 -5.673 1.00 10.00 H new ATOM 0 HA2 GLY A 74 -4.762 -10.414 -6.419 1.00 10.00 H new ATOM 0 HA3 GLY A 74 -4.278 -11.141 -4.900 1.00 10.00 H new ATOM 739 N VAL A 75 -3.088 -8.689 -4.152 1.00 10.00 N ATOM 740 CA VAL A 75 -3.041 -7.414 -3.452 1.00 10.00 C ATOM 741 C VAL A 75 -3.035 -6.268 -4.458 1.00 10.00 C ATOM 742 O VAL A 75 -3.780 -5.303 -4.308 1.00 10.00 O ATOM 743 CB VAL A 75 -1.797 -7.301 -2.539 1.00 10.00 C ATOM 744 CG1 VAL A 75 -1.761 -5.952 -1.839 1.00 10.00 C ATOM 745 CG2 VAL A 75 -1.766 -8.436 -1.527 1.00 10.00 C ATOM 0 H VAL A 75 -2.287 -9.296 -3.978 1.00 10.00 H new ATOM 0 HA VAL A 75 -3.929 -7.355 -2.822 1.00 10.00 H new ATOM 0 HB VAL A 75 -0.908 -7.381 -3.165 1.00 10.00 H new ATOM 0 HG11 VAL A 75 -0.878 -5.896 -1.203 1.00 10.00 H new ATOM 0 HG12 VAL A 75 -1.723 -5.157 -2.583 1.00 10.00 H new ATOM 0 HG13 VAL A 75 -2.656 -5.835 -1.228 1.00 10.00 H new ATOM 0 HG21 VAL A 75 -0.883 -8.337 -0.896 1.00 10.00 H new ATOM 0 HG22 VAL A 75 -2.662 -8.395 -0.907 1.00 10.00 H new ATOM 0 HG23 VAL A 75 -1.731 -9.391 -2.052 1.00 10.00 H new ATOM 755 N ILE A 76 -2.209 -6.402 -5.493 1.00 10.00 N ATOM 756 CA ILE A 76 -2.098 -5.382 -6.536 1.00 10.00 C ATOM 757 C ILE A 76 -3.463 -5.083 -7.157 1.00 10.00 C ATOM 758 O ILE A 76 -3.806 -3.921 -7.387 1.00 10.00 O ATOM 759 CB ILE A 76 -1.106 -5.809 -7.640 1.00 10.00 C ATOM 760 CG1 ILE A 76 0.295 -5.994 -7.046 1.00 10.00 C ATOM 761 CG2 ILE A 76 -1.075 -4.781 -8.765 1.00 10.00 C ATOM 762 CD1 ILE A 76 1.267 -6.698 -7.970 1.00 10.00 C ATOM 0 H ILE A 76 -1.603 -7.211 -5.633 1.00 10.00 H new ATOM 0 HA ILE A 76 -1.719 -4.477 -6.061 1.00 10.00 H new ATOM 0 HB ILE A 76 -1.440 -6.759 -8.057 1.00 10.00 H new ATOM 0 HG12 ILE A 76 0.700 -5.016 -6.786 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.214 -6.562 -6.119 1.00 10.00 H new ATOM 0 HG21 ILE A 76 -0.370 -5.102 -9.532 1.00 10.00 H new ATOM 0 HG22 ILE A 76 -2.069 -4.690 -9.202 1.00 10.00 H new ATOM 0 HG23 ILE A 76 -0.764 -3.815 -8.367 1.00 10.00 H new ATOM 0 HD11 ILE A 76 2.235 -6.790 -7.478 1.00 10.00 H new ATOM 0 HD12 ILE A 76 0.886 -7.690 -8.211 1.00 10.00 H new ATOM 0 HD13 ILE A 76 1.380 -6.120 -8.887 1.00 10.00 H new ATOM 774 N ARG A 77 -4.243 -6.132 -7.416 1.00 10.00 N ATOM 775 CA ARG A 77 -5.577 -5.979 -7.993 1.00 10.00 C ATOM 776 C ARG A 77 -6.442 -5.119 -7.079 1.00 10.00 C ATOM 777 O ARG A 77 -7.136 -4.209 -7.531 1.00 10.00 O ATOM 778 CB ARG A 77 -6.231 -7.349 -8.211 1.00 10.00 C ATOM 779 CG ARG A 77 -7.641 -7.270 -8.777 1.00 10.00 C ATOM 780 CD ARG A 77 -8.184 -8.639 -9.148 1.00 10.00 C ATOM 781 NE ARG A 77 -8.423 -9.476 -7.978 1.00 10.00 N ATOM 782 CZ ARG A 77 -9.166 -10.579 -8.000 1.00 10.00 C ATOM 783 NH1 ARG A 77 -9.745 -10.976 -9.124 1.00 10.00 N ATOM 784 NH2 ARG A 77 -9.332 -11.285 -6.894 1.00 10.00 N ATOM 0 H ARG A 77 -3.973 -7.099 -7.235 1.00 10.00 H new ATOM 0 HA ARG A 77 -5.485 -5.486 -8.961 1.00 10.00 H new ATOM 0 HB2 ARG A 77 -5.609 -7.935 -8.888 1.00 10.00 H new ATOM 0 HB3 ARG A 77 -6.259 -7.883 -7.261 1.00 10.00 H new ATOM 0 HG2 ARG A 77 -8.300 -6.805 -8.044 1.00 10.00 H new ATOM 0 HG3 ARG A 77 -7.642 -6.629 -9.658 1.00 10.00 H new ATOM 0 HD2 ARG A 77 -9.115 -8.520 -9.703 1.00 10.00 H new ATOM 0 HD3 ARG A 77 -7.479 -9.139 -9.812 1.00 10.00 H new ATOM 0 HE ARG A 77 -7.997 -9.200 -7.093 1.00 10.00 H new ATOM 0 HH11 ARG A 77 -9.622 -10.435 -9.980 1.00 10.00 H new ATOM 0 HH12 ARG A 77 -10.313 -11.823 -9.133 1.00 10.00 H new ATOM 0 HH21 ARG A 77 -8.890 -10.983 -6.025 1.00 10.00 H new ATOM 0 HH22 ARG A 77 -9.902 -12.131 -6.910 1.00 10.00 H new ATOM 798 N ARG A 78 -6.376 -5.406 -5.787 1.00 10.00 N ATOM 799 CA ARG A 78 -7.134 -4.658 -4.791 1.00 10.00 C ATOM 800 C ARG A 78 -6.676 -3.209 -4.760 1.00 10.00 C ATOM 801 O ARG A 78 -7.492 -2.289 -4.781 1.00 10.00 O ATOM 802 CB ARG A 78 -6.951 -5.280 -3.409 1.00 10.00 C ATOM 803 CG ARG A 78 -7.772 -6.533 -3.178 1.00 10.00 C ATOM 804 CD ARG A 78 -9.245 -6.209 -2.991 1.00 10.00 C ATOM 805 NE ARG A 78 -9.983 -7.342 -2.435 1.00 10.00 N ATOM 806 CZ ARG A 78 -11.267 -7.595 -2.679 1.00 10.00 C ATOM 807 NH1 ARG A 78 -11.964 -6.785 -3.466 1.00 10.00 N ATOM 808 NH2 ARG A 78 -11.853 -8.650 -2.130 1.00 10.00 N ATOM 0 H ARG A 78 -5.802 -6.156 -5.401 1.00 10.00 H new ATOM 0 HA ARG A 78 -8.189 -4.695 -5.063 1.00 10.00 H new ATOM 0 HB2 ARG A 78 -5.897 -5.518 -3.267 1.00 10.00 H new ATOM 0 HB3 ARG A 78 -7.215 -4.541 -2.652 1.00 10.00 H new ATOM 0 HG2 ARG A 78 -7.652 -7.209 -4.025 1.00 10.00 H new ATOM 0 HG3 ARG A 78 -7.399 -7.056 -2.297 1.00 10.00 H new ATOM 0 HD2 ARG A 78 -9.347 -5.349 -2.329 1.00 10.00 H new ATOM 0 HD3 ARG A 78 -9.680 -5.927 -3.950 1.00 10.00 H new ATOM 0 HE ARG A 78 -9.481 -7.981 -1.819 1.00 10.00 H new ATOM 0 HH11 ARG A 78 -11.516 -5.969 -3.883 1.00 10.00 H new ATOM 0 HH12 ARG A 78 -12.948 -6.978 -3.653 1.00 10.00 H new ATOM 0 HH21 ARG A 78 -11.320 -9.269 -1.520 1.00 10.00 H new ATOM 0 HH22 ARG A 78 -12.837 -8.842 -2.318 1.00 10.00 H new ATOM 822 N VAL A 79 -5.365 -3.025 -4.733 1.00 10.00 N ATOM 823 CA VAL A 79 -4.763 -1.695 -4.693 1.00 10.00 C ATOM 824 C VAL A 79 -5.193 -0.857 -5.897 1.00 10.00 C ATOM 825 O VAL A 79 -5.548 0.312 -5.753 1.00 10.00 O ATOM 826 CB VAL A 79 -3.220 -1.780 -4.655 1.00 10.00 C ATOM 827 CG1 VAL A 79 -2.586 -0.393 -4.617 1.00 10.00 C ATOM 828 CG2 VAL A 79 -2.759 -2.598 -3.459 1.00 10.00 C ATOM 0 H VAL A 79 -4.688 -3.788 -4.738 1.00 10.00 H new ATOM 0 HA VAL A 79 -5.115 -1.213 -3.781 1.00 10.00 H new ATOM 0 HB VAL A 79 -2.895 -2.276 -5.570 1.00 10.00 H new ATOM 0 HG11 VAL A 79 -1.501 -0.490 -4.591 1.00 10.00 H new ATOM 0 HG12 VAL A 79 -2.879 0.166 -5.506 1.00 10.00 H new ATOM 0 HG13 VAL A 79 -2.925 0.138 -3.727 1.00 10.00 H new ATOM 0 HG21 VAL A 79 -1.670 -2.647 -3.449 1.00 10.00 H new ATOM 0 HG22 VAL A 79 -3.109 -2.128 -2.540 1.00 10.00 H new ATOM 0 HG23 VAL A 79 -3.167 -3.607 -3.529 1.00 10.00 H new ATOM 838 N SER A 80 -5.182 -1.471 -7.070 1.00 10.00 N ATOM 839 CA SER A 80 -5.557 -0.789 -8.303 1.00 10.00 C ATOM 840 C SER A 80 -7.033 -0.402 -8.304 1.00 10.00 C ATOM 841 O SER A 80 -7.400 0.664 -8.789 1.00 10.00 O ATOM 842 CB SER A 80 -5.250 -1.678 -9.508 1.00 10.00 C ATOM 843 OG SER A 80 -3.932 -2.207 -9.433 1.00 10.00 O ATOM 0 H SER A 80 -4.916 -2.448 -7.196 1.00 10.00 H new ATOM 0 HA SER A 80 -4.970 0.127 -8.368 1.00 10.00 H new ATOM 0 HB2 SER A 80 -5.971 -2.495 -9.554 1.00 10.00 H new ATOM 0 HB3 SER A 80 -5.362 -1.102 -10.426 1.00 10.00 H new ATOM 0 HG SER A 80 -3.926 -2.988 -8.842 1.00 10.00 H new ATOM 849 N GLN A 81 -7.875 -1.274 -7.762 1.00 10.00 N ATOM 850 CA GLN A 81 -9.307 -1.013 -7.700 1.00 10.00 C ATOM 851 C GLN A 81 -9.628 -0.001 -6.603 1.00 10.00 C ATOM 852 O GLN A 81 -10.689 0.628 -6.612 1.00 10.00 O ATOM 853 CB GLN A 81 -10.071 -2.313 -7.444 1.00 10.00 C ATOM 854 CG GLN A 81 -10.145 -3.237 -8.650 1.00 10.00 C ATOM 855 CD GLN A 81 -11.044 -2.699 -9.745 1.00 10.00 C ATOM 856 OE1 GLN A 81 -12.243 -2.960 -9.761 1.00 10.00 O ATOM 857 NE2 GLN A 81 -10.468 -1.954 -10.673 1.00 10.00 N ATOM 0 H GLN A 81 -7.591 -2.167 -7.360 1.00 10.00 H new ATOM 0 HA GLN A 81 -9.617 -0.597 -8.658 1.00 10.00 H new ATOM 0 HB2 GLN A 81 -9.595 -2.845 -6.620 1.00 10.00 H new ATOM 0 HB3 GLN A 81 -11.084 -2.070 -7.123 1.00 10.00 H new ATOM 0 HG2 GLN A 81 -9.142 -3.387 -9.050 1.00 10.00 H new ATOM 0 HG3 GLN A 81 -10.511 -4.214 -8.332 1.00 10.00 H new ATOM 0 HE21 GLN A 81 -9.468 -1.760 -10.623 1.00 10.00 H new ATOM 0 HE22 GLN A 81 -11.024 -1.573 -11.439 1.00 10.00 H new ATOM 866 N LEU A 82 -8.706 0.145 -5.658 1.00 10.00 N ATOM 867 CA LEU A 82 -8.880 1.076 -4.552 1.00 10.00 C ATOM 868 C LEU A 82 -8.375 2.465 -4.933 1.00 10.00 C ATOM 869 O LEU A 82 -9.105 3.450 -4.825 1.00 10.00 O ATOM 870 CB LEU A 82 -8.136 0.569 -3.312 1.00 10.00 C ATOM 871 CG LEU A 82 -8.381 1.363 -2.027 1.00 10.00 C ATOM 872 CD1 LEU A 82 -9.758 1.058 -1.460 1.00 10.00 C ATOM 873 CD2 LEU A 82 -7.302 1.069 -1.000 1.00 10.00 C ATOM 0 H LEU A 82 -7.827 -0.372 -5.637 1.00 10.00 H new ATOM 0 HA LEU A 82 -9.944 1.144 -4.325 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -8.421 -0.468 -3.137 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -7.067 0.574 -3.524 1.00 10.00 H new ATOM 0 HG LEU A 82 -8.340 2.425 -2.271 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -9.911 1.633 -0.547 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -10.520 1.328 -2.191 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -9.831 -0.006 -1.235 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -7.495 1.644 -0.094 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -7.306 0.005 -0.762 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -6.329 1.347 -1.405 1.00 10.00 H new ATOM 885 N PHE A 83 -7.128 2.537 -5.394 1.00 10.00 N ATOM 886 CA PHE A 83 -6.519 3.803 -5.797 1.00 10.00 C ATOM 887 C PHE A 83 -6.614 3.986 -7.311 1.00 10.00 C ATOM 888 O PHE A 83 -5.656 4.405 -7.959 1.00 10.00 O ATOM 889 CB PHE A 83 -5.049 3.863 -5.365 1.00 10.00 C ATOM 890 CG PHE A 83 -4.828 3.649 -3.894 1.00 10.00 C ATOM 891 CD1 PHE A 83 -5.438 4.464 -2.957 1.00 10.00 C ATOM 892 CD2 PHE A 83 -4.002 2.631 -3.453 1.00 10.00 C ATOM 893 CE1 PHE A 83 -5.227 4.265 -1.606 1.00 10.00 C ATOM 894 CE2 PHE A 83 -3.787 2.425 -2.104 1.00 10.00 C ATOM 895 CZ PHE A 83 -4.401 3.245 -1.178 1.00 10.00 C ATOM 0 H PHE A 83 -6.516 1.728 -5.498 1.00 10.00 H new ATOM 0 HA PHE A 83 -7.065 4.608 -5.304 1.00 10.00 H new ATOM 0 HB2 PHE A 83 -4.489 3.109 -5.918 1.00 10.00 H new ATOM 0 HB3 PHE A 83 -4.639 4.834 -5.645 1.00 10.00 H new ATOM 0 HD1 PHE A 83 -6.086 5.264 -3.285 1.00 10.00 H new ATOM 0 HD2 PHE A 83 -3.518 1.988 -4.173 1.00 10.00 H new ATOM 0 HE1 PHE A 83 -5.709 4.908 -0.884 1.00 10.00 H new ATOM 0 HE2 PHE A 83 -3.141 1.625 -1.775 1.00 10.00 H new ATOM 0 HZ PHE A 83 -4.236 3.089 -0.122 1.00 10.00 H new ATOM 905 N HIS A 84 -7.783 3.693 -7.867 1.00 10.00 N ATOM 906 CA HIS A 84 -8.002 3.804 -9.310 1.00 10.00 C ATOM 907 C HIS A 84 -8.017 5.265 -9.762 1.00 10.00 C ATOM 908 O HIS A 84 -7.941 5.555 -10.957 1.00 10.00 O ATOM 909 CB HIS A 84 -9.304 3.092 -9.724 1.00 10.00 C ATOM 910 CG HIS A 84 -10.549 3.676 -9.126 1.00 10.00 C ATOM 911 ND1 HIS A 84 -10.947 3.719 -7.833 1.00 10.00 N flip ATOM 912 CD2 HIS A 84 -11.510 4.264 -9.915 1.00 10.00 C flip ATOM 913 CE1 HIS A 84 -12.165 4.339 -7.821 1.00 10.00 C flip ATOM 914 NE2 HIS A 84 -12.466 4.647 -9.089 1.00 10.00 N flip ATOM 0 H HIS A 84 -8.598 3.376 -7.342 1.00 10.00 H new ATOM 0 HA HIS A 84 -7.168 3.310 -9.809 1.00 10.00 H new ATOM 0 HB2 HIS A 84 -9.390 3.121 -10.810 1.00 10.00 H new ATOM 0 HB3 HIS A 84 -9.236 2.042 -9.438 1.00 10.00 H new ATOM 0 HD2 HIS A 84 -11.487 4.387 -10.988 1.00 10.00 H new ATOM 0 HE1 HIS A 84 -12.772 4.543 -6.951 1.00 10.00 H new ATOM 0 HE2 HIS A 84 -13.323 5.117 -9.379 1.00 10.00 H new ATOM 922 N GLU A 85 -8.117 6.179 -8.809 1.00 10.00 N ATOM 923 CA GLU A 85 -8.128 7.598 -9.119 1.00 10.00 C ATOM 924 C GLU A 85 -6.731 8.187 -8.949 1.00 10.00 C ATOM 925 O GLU A 85 -6.457 9.306 -9.385 1.00 10.00 O ATOM 926 CB GLU A 85 -9.113 8.326 -8.207 1.00 10.00 C ATOM 927 CG GLU A 85 -10.505 7.722 -8.213 1.00 10.00 C ATOM 928 CD GLU A 85 -11.425 8.379 -9.215 1.00 10.00 C ATOM 929 OE1 GLU A 85 -11.260 8.156 -10.433 1.00 10.00 O ATOM 930 OE2 GLU A 85 -12.333 9.120 -8.785 1.00 10.00 O ATOM 0 H GLU A 85 -8.192 5.962 -7.815 1.00 10.00 H new ATOM 0 HA GLU A 85 -8.441 7.726 -10.155 1.00 10.00 H new ATOM 0 HB2 GLU A 85 -8.726 8.317 -7.188 1.00 10.00 H new ATOM 0 HB3 GLU A 85 -9.177 9.370 -8.515 1.00 10.00 H new ATOM 0 HG2 GLU A 85 -10.433 6.658 -8.436 1.00 10.00 H new ATOM 0 HG3 GLU A 85 -10.938 7.810 -7.217 1.00 10.00 H new ATOM 937 N HIS A 86 -5.843 7.420 -8.324 1.00 10.00 N ATOM 938 CA HIS A 86 -4.480 7.876 -8.079 1.00 10.00 C ATOM 939 C HIS A 86 -3.469 6.774 -8.397 1.00 10.00 C ATOM 940 O HIS A 86 -2.939 6.128 -7.498 1.00 10.00 O ATOM 941 CB HIS A 86 -4.323 8.322 -6.620 1.00 10.00 C ATOM 942 CG HIS A 86 -5.340 9.339 -6.175 1.00 10.00 C ATOM 943 ND1 HIS A 86 -6.496 8.964 -5.524 1.00 10.00 N ATOM 944 CD2 HIS A 86 -5.335 10.687 -6.320 1.00 10.00 C ATOM 945 CE1 HIS A 86 -7.163 10.082 -5.294 1.00 10.00 C ATOM 946 NE2 HIS A 86 -6.499 11.150 -5.759 1.00 10.00 N ATOM 0 H HIS A 86 -6.043 6.481 -7.979 1.00 10.00 H new ATOM 0 HA HIS A 86 -4.285 8.724 -8.736 1.00 10.00 H new ATOM 0 HB2 HIS A 86 -4.394 7.447 -5.974 1.00 10.00 H new ATOM 0 HB3 HIS A 86 -3.325 8.739 -6.484 1.00 10.00 H new ATOM 0 HD2 HIS A 86 -4.564 11.282 -6.787 1.00 10.00 H new ATOM 0 HE1 HIS A 86 -8.120 10.129 -4.796 1.00 10.00 H new ATOM 0 HE2 HIS A 86 -6.802 12.123 -5.706 1.00 10.00 H new ATOM 954 N PRO A 87 -3.180 6.554 -9.692 1.00 10.00 N ATOM 955 CA PRO A 87 -2.230 5.522 -10.126 1.00 10.00 C ATOM 956 C PRO A 87 -0.819 5.779 -9.609 1.00 10.00 C ATOM 957 O PRO A 87 -0.017 4.856 -9.474 1.00 10.00 O ATOM 958 CB PRO A 87 -2.262 5.611 -11.654 1.00 10.00 C ATOM 959 CG PRO A 87 -2.813 6.961 -11.962 1.00 10.00 C ATOM 960 CD PRO A 87 -3.752 7.291 -10.839 1.00 10.00 C ATOM 0 HA PRO A 87 -2.502 4.539 -9.742 1.00 10.00 H new ATOM 0 HB2 PRO A 87 -1.264 5.489 -12.075 1.00 10.00 H new ATOM 0 HB3 PRO A 87 -2.886 4.826 -12.080 1.00 10.00 H new ATOM 0 HG2 PRO A 87 -2.016 7.701 -12.034 1.00 10.00 H new ATOM 0 HG3 PRO A 87 -3.334 6.960 -12.919 1.00 10.00 H new ATOM 0 HD2 PRO A 87 -3.791 8.364 -10.649 1.00 10.00 H new ATOM 0 HD3 PRO A 87 -4.770 6.968 -11.057 1.00 10.00 H new ATOM 968 N ASP A 88 -0.531 7.036 -9.298 1.00 10.00 N ATOM 969 CA ASP A 88 0.778 7.424 -8.786 1.00 10.00 C ATOM 970 C ASP A 88 1.046 6.784 -7.429 1.00 10.00 C ATOM 971 O ASP A 88 2.198 6.609 -7.034 1.00 10.00 O ATOM 972 CB ASP A 88 0.869 8.948 -8.670 1.00 10.00 C ATOM 973 CG ASP A 88 1.036 9.629 -10.013 1.00 10.00 C ATOM 974 OD1 ASP A 88 2.159 10.080 -10.332 1.00 10.00 O ATOM 975 OD2 ASP A 88 0.042 9.717 -10.764 1.00 10.00 O ATOM 0 H ASP A 88 -1.190 7.809 -9.392 1.00 10.00 H new ATOM 0 HA ASP A 88 1.534 7.071 -9.488 1.00 10.00 H new ATOM 0 HB2 ASP A 88 -0.031 9.326 -8.186 1.00 10.00 H new ATOM 0 HB3 ASP A 88 1.710 9.210 -8.028 1.00 10.00 H new ATOM 980 N LEU A 89 -0.020 6.430 -6.721 1.00 10.00 N ATOM 981 CA LEU A 89 0.109 5.806 -5.417 1.00 10.00 C ATOM 982 C LEU A 89 0.239 4.289 -5.560 1.00 10.00 C ATOM 983 O LEU A 89 0.883 3.634 -4.744 1.00 10.00 O ATOM 984 CB LEU A 89 -1.099 6.149 -4.535 1.00 10.00 C ATOM 985 CG LEU A 89 -1.339 7.644 -4.290 1.00 10.00 C ATOM 986 CD1 LEU A 89 -2.548 7.848 -3.391 1.00 10.00 C ATOM 987 CD2 LEU A 89 -0.110 8.288 -3.666 1.00 10.00 C ATOM 0 H LEU A 89 -0.982 6.566 -7.031 1.00 10.00 H new ATOM 0 HA LEU A 89 1.011 6.192 -4.941 1.00 10.00 H new ATOM 0 HB2 LEU A 89 -1.993 5.727 -4.994 1.00 10.00 H new ATOM 0 HB3 LEU A 89 -0.973 5.657 -3.571 1.00 10.00 H new ATOM 0 HG LEU A 89 -1.532 8.120 -5.251 1.00 10.00 H new ATOM 0 HD11 LEU A 89 -2.704 8.914 -3.227 1.00 10.00 H new ATOM 0 HD12 LEU A 89 -3.431 7.421 -3.866 1.00 10.00 H new ATOM 0 HD13 LEU A 89 -2.377 7.355 -2.434 1.00 10.00 H new ATOM 0 HD21 LEU A 89 -0.300 9.348 -3.500 1.00 10.00 H new ATOM 0 HD22 LEU A 89 0.110 7.805 -2.714 1.00 10.00 H new ATOM 0 HD23 LEU A 89 0.741 8.172 -4.337 1.00 10.00 H new ATOM 999 N ILE A 90 -0.377 3.738 -6.604 1.00 10.00 N ATOM 1000 CA ILE A 90 -0.336 2.299 -6.852 1.00 10.00 C ATOM 1001 C ILE A 90 1.092 1.834 -7.126 1.00 10.00 C ATOM 1002 O ILE A 90 1.583 0.893 -6.498 1.00 10.00 O ATOM 1003 CB ILE A 90 -1.233 1.899 -8.044 1.00 10.00 C ATOM 1004 CG1 ILE A 90 -2.657 2.433 -7.856 1.00 10.00 C ATOM 1005 CG2 ILE A 90 -1.244 0.382 -8.218 1.00 10.00 C ATOM 1006 CD1 ILE A 90 -3.543 2.187 -9.054 1.00 10.00 C ATOM 0 H ILE A 90 -0.911 4.268 -7.293 1.00 10.00 H new ATOM 0 HA ILE A 90 -0.712 1.813 -5.952 1.00 10.00 H new ATOM 0 HB ILE A 90 -0.821 2.346 -8.948 1.00 10.00 H new ATOM 0 HG12 ILE A 90 -3.102 1.963 -6.979 1.00 10.00 H new ATOM 0 HG13 ILE A 90 -2.614 3.504 -7.657 1.00 10.00 H new ATOM 0 HG21 ILE A 90 -1.881 0.117 -9.062 1.00 10.00 H new ATOM 0 HG22 ILE A 90 -0.229 0.030 -8.404 1.00 10.00 H new ATOM 0 HG23 ILE A 90 -1.630 -0.085 -7.312 1.00 10.00 H new ATOM 0 HD11 ILE A 90 -4.538 2.588 -8.859 1.00 10.00 H new ATOM 0 HD12 ILE A 90 -3.118 2.680 -9.928 1.00 10.00 H new ATOM 0 HD13 ILE A 90 -3.614 1.115 -9.240 1.00 10.00 H new ATOM 1018 N VAL A 91 1.748 2.503 -8.065 1.00 10.00 N ATOM 1019 CA VAL A 91 3.121 2.173 -8.429 1.00 10.00 C ATOM 1020 C VAL A 91 4.054 2.395 -7.243 1.00 10.00 C ATOM 1021 O VAL A 91 5.087 1.734 -7.113 1.00 10.00 O ATOM 1022 CB VAL A 91 3.602 3.008 -9.639 1.00 10.00 C ATOM 1023 CG1 VAL A 91 4.959 2.513 -10.128 1.00 10.00 C ATOM 1024 CG2 VAL A 91 2.577 2.952 -10.764 1.00 10.00 C ATOM 0 H VAL A 91 1.350 3.281 -8.591 1.00 10.00 H new ATOM 0 HA VAL A 91 3.143 1.121 -8.712 1.00 10.00 H new ATOM 0 HB VAL A 91 3.710 4.045 -9.320 1.00 10.00 H new ATOM 0 HG11 VAL A 91 5.280 3.113 -10.979 1.00 10.00 H new ATOM 0 HG12 VAL A 91 5.690 2.603 -9.325 1.00 10.00 H new ATOM 0 HG13 VAL A 91 4.878 1.469 -10.430 1.00 10.00 H new ATOM 0 HG21 VAL A 91 2.930 3.544 -11.608 1.00 10.00 H new ATOM 0 HG22 VAL A 91 2.439 1.918 -11.079 1.00 10.00 H new ATOM 0 HG23 VAL A 91 1.627 3.354 -10.411 1.00 10.00 H new ATOM 1034 N GLY A 92 3.665 3.312 -6.368 1.00 10.00 N ATOM 1035 CA GLY A 92 4.452 3.595 -5.188 1.00 10.00 C ATOM 1036 C GLY A 92 4.615 2.364 -4.324 1.00 10.00 C ATOM 1037 O GLY A 92 5.681 2.134 -3.758 1.00 10.00 O ATOM 0 H GLY A 92 2.814 3.867 -6.457 1.00 10.00 H new ATOM 0 HA2 GLY A 92 5.433 3.966 -5.484 1.00 10.00 H new ATOM 0 HA3 GLY A 92 3.973 4.386 -4.611 1.00 10.00 H new ATOM 1041 N PHE A 93 3.557 1.562 -4.246 1.00 10.00 N ATOM 1042 CA PHE A 93 3.569 0.333 -3.466 1.00 10.00 C ATOM 1043 C PHE A 93 4.535 -0.678 -4.080 1.00 10.00 C ATOM 1044 O PHE A 93 5.261 -1.371 -3.368 1.00 10.00 O ATOM 1045 CB PHE A 93 2.150 -0.249 -3.389 1.00 10.00 C ATOM 1046 CG PHE A 93 2.093 -1.716 -3.050 1.00 10.00 C ATOM 1047 CD1 PHE A 93 2.507 -2.169 -1.810 1.00 10.00 C ATOM 1048 CD2 PHE A 93 1.623 -2.636 -3.973 1.00 10.00 C ATOM 1049 CE1 PHE A 93 2.453 -3.512 -1.492 1.00 10.00 C ATOM 1050 CE2 PHE A 93 1.567 -3.980 -3.665 1.00 10.00 C ATOM 1051 CZ PHE A 93 1.982 -4.421 -2.423 1.00 10.00 C ATOM 0 H PHE A 93 2.673 1.746 -4.720 1.00 10.00 H new ATOM 0 HA PHE A 93 3.910 0.557 -2.455 1.00 10.00 H new ATOM 0 HB2 PHE A 93 1.584 0.306 -2.641 1.00 10.00 H new ATOM 0 HB3 PHE A 93 1.654 -0.091 -4.347 1.00 10.00 H new ATOM 0 HD1 PHE A 93 2.877 -1.463 -1.081 1.00 10.00 H new ATOM 0 HD2 PHE A 93 1.297 -2.297 -4.945 1.00 10.00 H new ATOM 0 HE1 PHE A 93 2.777 -3.852 -0.520 1.00 10.00 H new ATOM 0 HE2 PHE A 93 1.199 -4.687 -4.394 1.00 10.00 H new ATOM 0 HZ PHE A 93 1.939 -5.472 -2.180 1.00 10.00 H new ATOM 1061 N ASN A 94 4.552 -0.737 -5.405 1.00 10.00 N ATOM 1062 CA ASN A 94 5.425 -1.665 -6.120 1.00 10.00 C ATOM 1063 C ASN A 94 6.893 -1.334 -5.855 1.00 10.00 C ATOM 1064 O ASN A 94 7.736 -2.223 -5.756 1.00 10.00 O ATOM 1065 CB ASN A 94 5.140 -1.615 -7.623 1.00 10.00 C ATOM 1066 CG ASN A 94 5.433 -2.932 -8.330 1.00 10.00 C ATOM 1067 OD1 ASN A 94 6.166 -3.783 -7.825 1.00 10.00 O ATOM 1068 ND2 ASN A 94 4.876 -3.098 -9.520 1.00 10.00 N ATOM 0 H ASN A 94 3.972 -0.154 -6.009 1.00 10.00 H new ATOM 0 HA ASN A 94 5.223 -2.673 -5.756 1.00 10.00 H new ATOM 0 HB2 ASN A 94 4.094 -1.350 -7.780 1.00 10.00 H new ATOM 0 HB3 ASN A 94 5.740 -0.825 -8.075 1.00 10.00 H new ATOM 0 HD21 ASN A 94 5.049 -3.953 -10.049 1.00 10.00 H new ATOM 0 HD22 ASN A 94 4.274 -2.371 -9.907 1.00 10.00 H new ATOM 1075 N ALA A 95 7.187 -0.047 -5.717 1.00 10.00 N ATOM 1076 CA ALA A 95 8.550 0.399 -5.468 1.00 10.00 C ATOM 1077 C ALA A 95 8.831 0.471 -3.971 1.00 10.00 C ATOM 1078 O ALA A 95 9.932 0.831 -3.548 1.00 10.00 O ATOM 1079 CB ALA A 95 8.786 1.753 -6.124 1.00 10.00 C ATOM 0 H ALA A 95 6.500 0.705 -5.773 1.00 10.00 H new ATOM 0 HA ALA A 95 9.237 -0.326 -5.905 1.00 10.00 H new ATOM 0 HB1 ALA A 95 9.809 2.077 -5.931 1.00 10.00 H new ATOM 0 HB2 ALA A 95 8.628 1.669 -7.199 1.00 10.00 H new ATOM 0 HB3 ALA A 95 8.090 2.483 -5.711 1.00 10.00 H new ATOM 1085 N PHE A 96 7.835 0.117 -3.169 1.00 10.00 N ATOM 1086 CA PHE A 96 7.974 0.142 -1.721 1.00 10.00 C ATOM 1087 C PHE A 96 8.088 -1.273 -1.164 1.00 10.00 C ATOM 1088 O PHE A 96 8.173 -1.465 0.049 1.00 10.00 O ATOM 1089 CB PHE A 96 6.782 0.863 -1.081 1.00 10.00 C ATOM 1090 CG PHE A 96 7.138 2.175 -0.435 1.00 10.00 C ATOM 1091 CD1 PHE A 96 7.129 3.349 -1.170 1.00 10.00 C ATOM 1092 CD2 PHE A 96 7.477 2.233 0.909 1.00 10.00 C ATOM 1093 CE1 PHE A 96 7.451 4.555 -0.576 1.00 10.00 C ATOM 1094 CE2 PHE A 96 7.801 3.438 1.508 1.00 10.00 C ATOM 1095 CZ PHE A 96 7.789 4.602 0.762 1.00 10.00 C ATOM 0 H PHE A 96 6.920 -0.191 -3.499 1.00 10.00 H new ATOM 0 HA PHE A 96 8.887 0.685 -1.478 1.00 10.00 H new ATOM 0 HB2 PHE A 96 6.024 1.039 -1.844 1.00 10.00 H new ATOM 0 HB3 PHE A 96 6.335 0.210 -0.332 1.00 10.00 H new ATOM 0 HD1 PHE A 96 6.868 3.322 -2.218 1.00 10.00 H new ATOM 0 HD2 PHE A 96 7.488 1.326 1.495 1.00 10.00 H new ATOM 0 HE1 PHE A 96 7.438 5.463 -1.160 1.00 10.00 H new ATOM 0 HE2 PHE A 96 8.063 3.469 2.555 1.00 10.00 H new ATOM 0 HZ PHE A 96 8.043 5.545 1.224 1.00 10.00 H new ATOM 1105 N LEU A 97 8.096 -2.255 -2.054 1.00 10.00 N ATOM 1106 CA LEU A 97 8.197 -3.651 -1.651 1.00 10.00 C ATOM 1107 C LEU A 97 9.588 -3.965 -1.102 1.00 10.00 C ATOM 1108 O LEU A 97 10.589 -3.831 -1.811 1.00 10.00 O ATOM 1109 CB LEU A 97 7.878 -4.564 -2.836 1.00 10.00 C ATOM 1110 CG LEU A 97 6.397 -4.629 -3.232 1.00 10.00 C ATOM 1111 CD1 LEU A 97 6.247 -5.236 -4.616 1.00 10.00 C ATOM 1112 CD2 LEU A 97 5.601 -5.436 -2.212 1.00 10.00 C ATOM 0 H LEU A 97 8.034 -2.111 -3.062 1.00 10.00 H new ATOM 0 HA LEU A 97 7.472 -3.830 -0.857 1.00 10.00 H new ATOM 0 HB2 LEU A 97 8.453 -4.227 -3.698 1.00 10.00 H new ATOM 0 HB3 LEU A 97 8.219 -5.572 -2.599 1.00 10.00 H new ATOM 0 HG LEU A 97 6.002 -3.613 -3.250 1.00 10.00 H new ATOM 0 HD11 LEU A 97 5.191 -5.276 -4.883 1.00 10.00 H new ATOM 0 HD12 LEU A 97 6.782 -4.624 -5.342 1.00 10.00 H new ATOM 0 HD13 LEU A 97 6.660 -6.245 -4.618 1.00 10.00 H new ATOM 0 HD21 LEU A 97 4.554 -5.469 -2.512 1.00 10.00 H new ATOM 0 HD22 LEU A 97 5.997 -6.450 -2.162 1.00 10.00 H new ATOM 0 HD23 LEU A 97 5.683 -4.966 -1.232 1.00 10.00 H new ATOM 1124 N PRO A 98 9.671 -4.370 0.175 1.00 10.00 N ATOM 1125 CA PRO A 98 10.945 -4.699 0.813 1.00 10.00 C ATOM 1126 C PRO A 98 11.549 -5.999 0.280 1.00 10.00 C ATOM 1127 O PRO A 98 12.755 -6.086 0.043 1.00 10.00 O ATOM 1128 CB PRO A 98 10.582 -4.844 2.292 1.00 10.00 C ATOM 1129 CG PRO A 98 9.129 -5.167 2.318 1.00 10.00 C ATOM 1130 CD PRO A 98 8.526 -4.519 1.102 1.00 10.00 C ATOM 0 HA PRO A 98 11.700 -3.937 0.620 1.00 10.00 H new ATOM 0 HB2 PRO A 98 11.167 -5.633 2.764 1.00 10.00 H new ATOM 0 HB3 PRO A 98 10.789 -3.924 2.838 1.00 10.00 H new ATOM 0 HG2 PRO A 98 8.971 -6.245 2.302 1.00 10.00 H new ATOM 0 HG3 PRO A 98 8.664 -4.790 3.229 1.00 10.00 H new ATOM 0 HD2 PRO A 98 7.739 -5.136 0.669 1.00 10.00 H new ATOM 0 HD3 PRO A 98 8.079 -3.555 1.343 1.00 10.00 H new ATOM 1138 N SER A 99 10.705 -7.005 0.089 1.00 10.00 N ATOM 1139 CA SER A 99 11.148 -8.292 -0.413 1.00 10.00 C ATOM 1140 C SER A 99 10.984 -8.352 -1.926 1.00 10.00 C ATOM 1141 O SER A 99 10.103 -7.697 -2.491 1.00 10.00 O ATOM 1142 CB SER A 99 10.349 -9.412 0.250 1.00 10.00 C ATOM 1143 OG SER A 99 10.323 -9.249 1.659 1.00 10.00 O ATOM 0 H SER A 99 9.704 -6.950 0.277 1.00 10.00 H new ATOM 0 HA SER A 99 12.203 -8.421 -0.173 1.00 10.00 H new ATOM 0 HB2 SER A 99 9.331 -9.417 -0.138 1.00 10.00 H new ATOM 0 HB3 SER A 99 10.790 -10.377 -0.001 1.00 10.00 H new ATOM 0 HG SER A 99 9.805 -9.976 2.063 1.00 10.00 H new ATOM 1149 N GLY A 100 11.845 -9.116 -2.580 1.00 10.00 N ATOM 1150 CA GLY A 100 11.776 -9.239 -4.018 1.00 10.00 C ATOM 1151 C GLY A 100 12.821 -10.200 -4.550 1.00 10.00 C ATOM 1152 O GLY A 100 13.114 -11.216 -3.911 1.00 10.00 O ATOM 0 H GLY A 100 12.591 -9.653 -2.138 1.00 10.00 H new ATOM 0 HA2 GLY A 100 10.783 -9.585 -4.306 1.00 10.00 H new ATOM 0 HA3 GLY A 100 11.917 -8.259 -4.474 1.00 10.00 H new ATOM 1156 N PRO A 101 13.419 -9.892 -5.708 1.00 10.00 N ATOM 1157 CA PRO A 101 14.439 -10.742 -6.321 1.00 10.00 C ATOM 1158 C PRO A 101 15.818 -10.544 -5.692 1.00 10.00 C ATOM 1159 O PRO A 101 16.795 -11.169 -6.105 1.00 10.00 O ATOM 1160 CB PRO A 101 14.433 -10.282 -7.775 1.00 10.00 C ATOM 1161 CG PRO A 101 14.021 -8.851 -7.734 1.00 10.00 C ATOM 1162 CD PRO A 101 13.145 -8.683 -6.517 1.00 10.00 C ATOM 0 HA PRO A 101 14.228 -11.804 -6.192 1.00 10.00 H new ATOM 0 HB2 PRO A 101 15.418 -10.395 -8.227 1.00 10.00 H new ATOM 0 HB3 PRO A 101 13.739 -10.874 -8.372 1.00 10.00 H new ATOM 0 HG2 PRO A 101 14.893 -8.199 -7.675 1.00 10.00 H new ATOM 0 HG3 PRO A 101 13.480 -8.579 -8.640 1.00 10.00 H new ATOM 0 HD2 PRO A 101 13.392 -7.773 -5.970 1.00 10.00 H new ATOM 0 HD3 PRO A 101 12.092 -8.616 -6.790 1.00 10.00 H new ATOM 1170 N SER A 102 15.888 -9.670 -4.699 1.00 10.00 N ATOM 1171 CA SER A 102 17.132 -9.391 -4.004 1.00 10.00 C ATOM 1172 C SER A 102 17.470 -10.526 -3.043 1.00 10.00 C ATOM 1173 O SER A 102 16.590 -11.289 -2.637 1.00 10.00 O ATOM 1174 CB SER A 102 17.007 -8.071 -3.249 1.00 10.00 C ATOM 1175 OG SER A 102 15.647 -7.682 -3.140 1.00 10.00 O ATOM 0 H SER A 102 15.088 -9.138 -4.355 1.00 10.00 H new ATOM 0 HA SER A 102 17.939 -9.311 -4.732 1.00 10.00 H new ATOM 0 HB2 SER A 102 17.442 -8.172 -2.255 1.00 10.00 H new ATOM 0 HB3 SER A 102 17.572 -7.296 -3.766 1.00 10.00 H new ATOM 0 HG SER A 102 15.587 -6.835 -2.651 1.00 10.00 H new ATOM 1181 N SER A 103 18.738 -10.643 -2.690 1.00 10.00 N ATOM 1182 CA SER A 103 19.194 -11.687 -1.786 1.00 10.00 C ATOM 1183 C SER A 103 18.682 -11.458 -0.366 1.00 10.00 C ATOM 1184 O SER A 103 18.657 -10.327 0.122 1.00 10.00 O ATOM 1185 CB SER A 103 20.716 -11.732 -1.803 1.00 10.00 C ATOM 1186 OG SER A 103 21.200 -11.675 -3.134 1.00 10.00 O ATOM 0 H SER A 103 19.477 -10.022 -3.019 1.00 10.00 H new ATOM 0 HA SER A 103 18.794 -12.643 -2.125 1.00 10.00 H new ATOM 0 HB2 SER A 103 21.117 -10.897 -1.228 1.00 10.00 H new ATOM 0 HB3 SER A 103 21.064 -12.646 -1.322 1.00 10.00 H new ATOM 0 HG SER A 103 22.180 -11.703 -3.127 1.00 10.00 H new ATOM 1192 N GLY A 104 18.273 -12.533 0.288 1.00 10.00 N ATOM 1193 CA GLY A 104 17.770 -12.427 1.643 1.00 10.00 C ATOM 1194 C GLY A 104 16.289 -12.736 1.729 1.00 10.00 C ATOM 1195 O GLY A 104 15.598 -12.770 0.704 1.00 10.00 O ATOM 0 H GLY A 104 18.280 -13.479 -0.094 1.00 10.00 H new ATOM 0 HA2 GLY A 104 18.320 -13.112 2.288 1.00 10.00 H new ATOM 0 HA3 GLY A 104 17.952 -11.420 2.019 1.00 10.00 H new