USER MOD reduce.3.24.130724 H: found=0, std=0, add=1005, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1005 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 86 GLN :FLIP amide:sc= 0.381 F(o=-0.8,f=0.39) USER MOD Set 1.2: A 87 TYR OH : rot 180:sc= 0.0112 USER MOD Set 2.1: A 5 SER OG : rot -68:sc= 0.242 USER MOD Set 2.2: A 6 ASN :FLIP amide:sc= -0.739 F(o=-1.7,f=-0.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -153:sc= -0.1 (180deg=-0.645) USER MOD Single : A 2 SER OG : rot -45:sc= 0.146 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -80:sc= -1.42 USER MOD Single : A 9 GLN : amide:sc= -0.0337 K(o=-0.034,f=-1.6!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 86:sc= 0.421! USER MOD Single : A 22 TYR OH : rot 69:sc= 0.734 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN :FLIP amide:sc= -0.0143 F(o=-1.7!,f=-0.014) USER MOD Single : A 28 GLN : amide:sc= -1.22 K(o=-1.2,f=-5.6!) USER MOD Single : A 29 ASN : amide:sc= -0.149 X(o=-0.15,f=-0.089) USER MOD Single : A 30 THR OG1 : rot 97:sc= 0.73 USER MOD Single : A 31 THR OG1 : rot -88:sc= 0.827 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 38 GLN :FLIP amide:sc= -1.89 F(o=-4!,f=-1.9) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN :FLIP amide:sc= -3.53! C(o=-5.6!,f=-3.5!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 91:sc= 0.864 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -79:sc= 0.0219! USER MOD Single : A 73 LYS NZ :NH3+ 158:sc= -0.0195 (180deg=-0.761) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 SER OG : rot 180:sc= -0.836! USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= -0.0613 X(o=-0.061,f=-0.2) USER MOD Single : A 93 GLN : amide:sc= -0.234 X(o=-0.23,f=0) USER MOD Single : A 95 LYS NZ :NH3+ -149:sc= -0.0562 (180deg=-0.456) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 100:sc= 0.265 USER MOD Single : A 99 GLN : amide:sc= -0.225 K(o=-0.22,f=-2.1!) USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 SER OG : rot -55:sc= 0.85 USER MOD Single : A 107 LYS NZ :NH3+ 161:sc= -0.126 (180deg=-0.828) USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.939 USER MOD Single : A 111 HIS :FLIP no HD1:sc= -0.973 F(o=-2.2!,f=-0.97) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -47.298 5.653 21.234 1.00 0.00 N ATOM 2 CA MET A 1 -46.905 6.288 19.943 1.00 0.00 C ATOM 3 C MET A 1 -45.639 7.111 20.148 1.00 0.00 C ATOM 4 O MET A 1 -45.622 8.055 20.937 1.00 0.00 O ATOM 5 CB MET A 1 -48.039 7.192 19.456 1.00 0.00 C ATOM 6 CG MET A 1 -49.243 6.337 19.059 1.00 0.00 C ATOM 7 SD MET A 1 -50.703 7.393 18.890 1.00 0.00 S ATOM 8 CE MET A 1 -51.932 6.160 19.384 1.00 0.00 C ATOM 0 H1 MET A 1 -47.830 4.780 21.044 1.00 0.00 H new ATOM 0 H2 MET A 1 -46.444 5.426 21.783 1.00 0.00 H new ATOM 0 H3 MET A 1 -47.894 6.310 21.777 1.00 0.00 H new ATOM 0 HA MET A 1 -46.715 5.516 19.197 1.00 0.00 H new ATOM 0 HB2 MET A 1 -48.321 7.893 20.241 1.00 0.00 H new ATOM 0 HB3 MET A 1 -47.705 7.785 18.605 1.00 0.00 H new ATOM 0 HG2 MET A 1 -49.043 5.822 18.120 1.00 0.00 H new ATOM 0 HG3 MET A 1 -49.421 5.569 19.812 1.00 0.00 H new ATOM 0 HE1 MET A 1 -52.927 6.604 19.351 1.00 0.00 H new ATOM 0 HE2 MET A 1 -51.891 5.312 18.701 1.00 0.00 H new ATOM 0 HE3 MET A 1 -51.720 5.820 20.398 1.00 0.00 H new ATOM 20 N SER A 2 -44.580 6.748 19.431 1.00 0.00 N ATOM 21 CA SER A 2 -43.315 7.465 19.544 1.00 0.00 C ATOM 22 C SER A 2 -43.028 8.243 18.264 1.00 0.00 C ATOM 23 O SER A 2 -42.375 7.740 17.351 1.00 0.00 O ATOM 24 CB SER A 2 -42.177 6.479 19.816 1.00 0.00 C ATOM 25 OG SER A 2 -41.152 6.662 18.847 1.00 0.00 O ATOM 0 H SER A 2 -44.572 5.970 18.772 1.00 0.00 H new ATOM 0 HA SER A 2 -43.388 8.168 20.374 1.00 0.00 H new ATOM 0 HB2 SER A 2 -41.777 6.635 20.818 1.00 0.00 H new ATOM 0 HB3 SER A 2 -42.551 5.456 19.778 1.00 0.00 H new ATOM 0 HG SER A 2 -41.554 6.745 17.957 1.00 0.00 H new ATOM 31 N THR A 3 -43.524 9.475 18.205 1.00 0.00 N ATOM 32 CA THR A 3 -43.315 10.315 17.033 1.00 0.00 C ATOM 33 C THR A 3 -41.824 10.498 16.769 1.00 0.00 C ATOM 34 O THR A 3 -41.417 10.851 15.663 1.00 0.00 O ATOM 35 CB THR A 3 -43.971 11.681 17.246 1.00 0.00 C ATOM 36 OG1 THR A 3 -43.511 12.240 18.468 1.00 0.00 O ATOM 37 CG2 THR A 3 -45.491 11.516 17.298 1.00 0.00 C ATOM 0 H THR A 3 -44.069 9.910 18.949 1.00 0.00 H new ATOM 0 HA THR A 3 -43.769 9.827 16.171 1.00 0.00 H new ATOM 0 HB THR A 3 -43.708 12.344 16.422 1.00 0.00 H new ATOM 0 HG1 THR A 3 -43.929 13.116 18.605 1.00 0.00 H new ATOM 0 HG21 THR A 3 -45.958 12.489 17.450 1.00 0.00 H new ATOM 0 HG22 THR A 3 -45.843 11.087 16.360 1.00 0.00 H new ATOM 0 HG23 THR A 3 -45.757 10.854 18.122 1.00 0.00 H new ATOM 45 N LEU A 4 -41.014 10.254 17.795 1.00 0.00 N ATOM 46 CA LEU A 4 -39.569 10.392 17.665 1.00 0.00 C ATOM 47 C LEU A 4 -39.043 9.491 16.552 1.00 0.00 C ATOM 48 O LEU A 4 -38.086 9.839 15.860 1.00 0.00 O ATOM 49 CB LEU A 4 -38.889 10.025 18.986 1.00 0.00 C ATOM 50 CG LEU A 4 -39.683 10.617 20.152 1.00 0.00 C ATOM 51 CD1 LEU A 4 -40.539 9.525 20.794 1.00 0.00 C ATOM 52 CD2 LEU A 4 -38.714 11.181 21.193 1.00 0.00 C ATOM 0 H LEU A 4 -41.332 9.962 18.719 1.00 0.00 H new ATOM 0 HA LEU A 4 -39.342 11.429 17.415 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -38.828 8.941 19.087 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -37.867 10.404 18.999 1.00 0.00 H new ATOM 0 HG LEU A 4 -40.328 11.415 19.784 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -41.104 9.947 21.625 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -41.229 9.121 20.053 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -39.894 8.727 21.162 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -39.278 11.603 22.024 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -38.069 10.382 21.560 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -38.103 11.960 20.737 1.00 0.00 H new ATOM 64 N SER A 5 -39.673 8.333 16.386 1.00 0.00 N ATOM 65 CA SER A 5 -39.258 7.390 15.354 1.00 0.00 C ATOM 66 C SER A 5 -39.691 7.879 13.975 1.00 0.00 C ATOM 67 O SER A 5 -38.974 7.700 12.990 1.00 0.00 O ATOM 68 CB SER A 5 -39.870 6.015 15.625 1.00 0.00 C ATOM 69 OG SER A 5 -40.920 5.778 14.696 1.00 0.00 O ATOM 0 H SER A 5 -40.467 8.026 16.948 1.00 0.00 H new ATOM 0 HA SER A 5 -38.171 7.314 15.375 1.00 0.00 H new ATOM 0 HB2 SER A 5 -39.108 5.241 15.536 1.00 0.00 H new ATOM 0 HB3 SER A 5 -40.253 5.969 16.644 1.00 0.00 H new ATOM 0 HG SER A 5 -41.663 6.390 14.879 1.00 0.00 H new ATOM 75 N ASN A 6 -40.866 8.498 13.912 1.00 0.00 N ATOM 76 CA ASN A 6 -41.380 9.010 12.647 1.00 0.00 C ATOM 77 C ASN A 6 -40.633 10.275 12.241 1.00 0.00 C ATOM 78 O ASN A 6 -40.423 10.531 11.056 1.00 0.00 O ATOM 79 CB ASN A 6 -42.874 9.319 12.773 1.00 0.00 C ATOM 80 CG ASN A 6 -43.569 8.228 13.582 1.00 0.00 C ATOM 81 OD1 ASN A 6 -43.128 7.002 13.522 1.00 0.00 O flip ATOM 82 ND2 ASN A 6 -44.541 8.502 14.286 1.00 0.00 N flip ATOM 0 H ASN A 6 -41.475 8.656 14.715 1.00 0.00 H new ATOM 0 HA ASN A 6 -41.231 8.248 11.882 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -43.014 10.286 13.257 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -43.323 9.390 11.782 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -44.884 9.462 14.331 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -45.004 7.769 14.824 1.00 0.00 H new ATOM 89 N PHE A 7 -40.236 11.064 13.234 1.00 0.00 N ATOM 90 CA PHE A 7 -39.514 12.303 12.970 1.00 0.00 C ATOM 91 C PHE A 7 -38.067 12.008 12.586 1.00 0.00 C ATOM 92 O PHE A 7 -37.474 12.717 11.774 1.00 0.00 O ATOM 93 CB PHE A 7 -39.544 13.199 14.208 1.00 0.00 C ATOM 94 CG PHE A 7 -38.854 14.506 13.901 1.00 0.00 C ATOM 95 CD1 PHE A 7 -39.429 15.404 12.994 1.00 0.00 C ATOM 96 CD2 PHE A 7 -37.639 14.818 14.521 1.00 0.00 C ATOM 97 CE1 PHE A 7 -38.789 16.616 12.708 1.00 0.00 C ATOM 98 CE2 PHE A 7 -36.999 16.030 14.235 1.00 0.00 C ATOM 99 CZ PHE A 7 -37.574 16.929 13.329 1.00 0.00 C ATOM 0 H PHE A 7 -40.400 10.870 14.222 1.00 0.00 H new ATOM 0 HA PHE A 7 -40.001 12.816 12.140 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -40.574 13.382 14.512 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -39.049 12.701 15.042 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -40.366 15.162 12.515 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -37.195 14.124 15.220 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -39.232 17.309 12.009 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -36.061 16.271 14.714 1.00 0.00 H new ATOM 0 HZ PHE A 7 -37.080 17.864 13.109 1.00 0.00 H new ATOM 109 N THR A 8 -37.506 10.958 13.175 1.00 0.00 N ATOM 110 CA THR A 8 -36.128 10.580 12.885 1.00 0.00 C ATOM 111 C THR A 8 -35.932 10.393 11.383 1.00 0.00 C ATOM 112 O THR A 8 -34.887 10.746 10.835 1.00 0.00 O ATOM 113 CB THR A 8 -35.777 9.282 13.618 1.00 0.00 C ATOM 114 OG1 THR A 8 -36.949 8.745 14.216 1.00 0.00 O ATOM 115 CG2 THR A 8 -34.736 9.567 14.703 1.00 0.00 C ATOM 0 H THR A 8 -37.979 10.358 13.851 1.00 0.00 H new ATOM 0 HA THR A 8 -35.469 11.377 13.229 1.00 0.00 H new ATOM 0 HB THR A 8 -35.368 8.565 12.906 1.00 0.00 H new ATOM 0 HG1 THR A 8 -37.137 9.221 15.052 1.00 0.00 H new ATOM 0 HG21 THR A 8 -34.489 8.641 15.222 1.00 0.00 H new ATOM 0 HG22 THR A 8 -33.836 9.977 14.245 1.00 0.00 H new ATOM 0 HG23 THR A 8 -35.141 10.286 15.416 1.00 0.00 H new ATOM 123 N GLN A 9 -36.943 9.836 10.724 1.00 0.00 N ATOM 124 CA GLN A 9 -36.871 9.608 9.285 1.00 0.00 C ATOM 125 C GLN A 9 -36.708 10.928 8.539 1.00 0.00 C ATOM 126 O GLN A 9 -36.042 10.991 7.506 1.00 0.00 O ATOM 127 CB GLN A 9 -38.141 8.903 8.804 1.00 0.00 C ATOM 128 CG GLN A 9 -38.309 7.584 9.560 1.00 0.00 C ATOM 129 CD GLN A 9 -39.282 6.676 8.815 1.00 0.00 C ATOM 130 OE1 GLN A 9 -39.879 7.088 7.819 1.00 0.00 O ATOM 131 NE2 GLN A 9 -39.480 5.458 9.240 1.00 0.00 N ATOM 0 H GLN A 9 -37.815 9.536 11.159 1.00 0.00 H new ATOM 0 HA GLN A 9 -36.005 8.979 9.080 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -39.009 9.542 8.968 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -38.082 8.715 7.732 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -37.343 7.089 9.663 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -38.678 7.777 10.567 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -38.985 5.119 10.065 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -40.130 4.845 8.747 1.00 0.00 H new ATOM 140 N THR A 10 -37.323 11.980 9.069 1.00 0.00 N ATOM 141 CA THR A 10 -37.241 13.296 8.445 1.00 0.00 C ATOM 142 C THR A 10 -35.888 13.943 8.726 1.00 0.00 C ATOM 143 O THR A 10 -35.288 14.558 7.844 1.00 0.00 O ATOM 144 CB THR A 10 -38.359 14.195 8.977 1.00 0.00 C ATOM 145 OG1 THR A 10 -39.617 13.597 8.699 1.00 0.00 O ATOM 146 CG2 THR A 10 -38.282 15.564 8.299 1.00 0.00 C ATOM 0 H THR A 10 -37.880 11.948 9.923 1.00 0.00 H new ATOM 0 HA THR A 10 -37.353 13.173 7.368 1.00 0.00 H new ATOM 0 HB THR A 10 -38.245 14.319 10.054 1.00 0.00 H new ATOM 0 HG1 THR A 10 -40.334 14.171 9.041 1.00 0.00 H new ATOM 0 HG21 THR A 10 -39.079 16.203 8.679 1.00 0.00 H new ATOM 0 HG22 THR A 10 -37.316 16.022 8.513 1.00 0.00 H new ATOM 0 HG23 THR A 10 -38.396 15.443 7.222 1.00 0.00 H new ATOM 154 N LEU A 11 -35.416 13.805 9.960 1.00 0.00 N ATOM 155 CA LEU A 11 -34.135 14.384 10.347 1.00 0.00 C ATOM 156 C LEU A 11 -33.020 13.900 9.426 1.00 0.00 C ATOM 157 O LEU A 11 -32.143 14.673 9.038 1.00 0.00 O ATOM 158 CB LEU A 11 -33.806 14.001 11.791 1.00 0.00 C ATOM 159 CG LEU A 11 -32.366 14.405 12.109 1.00 0.00 C ATOM 160 CD1 LEU A 11 -32.324 15.138 13.452 1.00 0.00 C ATOM 161 CD2 LEU A 11 -31.491 13.151 12.186 1.00 0.00 C ATOM 0 H LEU A 11 -35.897 13.301 10.705 1.00 0.00 H new ATOM 0 HA LEU A 11 -34.211 15.468 10.263 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -34.494 14.497 12.476 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -33.934 12.928 11.932 1.00 0.00 H new ATOM 0 HG LEU A 11 -31.992 15.063 11.325 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -31.297 15.425 13.678 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -32.947 16.031 13.399 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -32.698 14.481 14.237 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -30.464 13.437 12.413 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -31.866 12.493 12.970 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -31.519 12.628 11.230 1.00 0.00 H new ATOM 173 N GLU A 12 -33.055 12.617 9.083 1.00 0.00 N ATOM 174 CA GLU A 12 -32.038 12.040 8.211 1.00 0.00 C ATOM 175 C GLU A 12 -32.006 12.755 6.863 1.00 0.00 C ATOM 176 O GLU A 12 -30.939 12.951 6.283 1.00 0.00 O ATOM 177 CB GLU A 12 -32.321 10.552 7.994 1.00 0.00 C ATOM 178 CG GLU A 12 -31.464 10.032 6.838 1.00 0.00 C ATOM 179 CD GLU A 12 -31.285 8.523 6.961 1.00 0.00 C ATOM 180 OE1 GLU A 12 -30.568 8.101 7.854 1.00 0.00 O ATOM 181 OE2 GLU A 12 -31.867 7.810 6.160 1.00 0.00 O ATOM 0 H GLU A 12 -33.771 11.960 9.393 1.00 0.00 H new ATOM 0 HA GLU A 12 -31.068 12.162 8.692 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -32.101 9.993 8.904 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -33.378 10.400 7.774 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -31.937 10.274 5.886 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -30.491 10.524 6.845 1.00 0.00 H new ATOM 188 N ASP A 13 -33.179 13.137 6.370 1.00 0.00 N ATOM 189 CA ASP A 13 -33.274 13.825 5.085 1.00 0.00 C ATOM 190 C ASP A 13 -32.675 15.226 5.173 1.00 0.00 C ATOM 191 O ASP A 13 -32.028 15.694 4.236 1.00 0.00 O ATOM 192 CB ASP A 13 -34.737 13.923 4.651 1.00 0.00 C ATOM 193 CG ASP A 13 -35.157 12.640 3.940 1.00 0.00 C ATOM 194 OD1 ASP A 13 -35.270 11.626 4.609 1.00 0.00 O ATOM 195 OD2 ASP A 13 -35.360 12.691 2.738 1.00 0.00 O ATOM 0 H ASP A 13 -34.073 12.984 6.836 1.00 0.00 H new ATOM 0 HA ASP A 13 -32.712 13.250 4.349 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -35.372 14.091 5.520 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -34.872 14.777 3.987 1.00 0.00 H new ATOM 200 N VAL A 14 -32.894 15.888 6.303 1.00 0.00 N ATOM 201 CA VAL A 14 -32.369 17.233 6.502 1.00 0.00 C ATOM 202 C VAL A 14 -30.877 17.166 6.787 1.00 0.00 C ATOM 203 O VAL A 14 -30.087 17.903 6.196 1.00 0.00 O ATOM 204 CB VAL A 14 -33.092 17.913 7.666 1.00 0.00 C ATOM 205 CG1 VAL A 14 -32.543 19.329 7.855 1.00 0.00 C ATOM 206 CG2 VAL A 14 -34.589 17.987 7.357 1.00 0.00 C ATOM 0 H VAL A 14 -33.427 15.519 7.090 1.00 0.00 H new ATOM 0 HA VAL A 14 -32.535 17.816 5.596 1.00 0.00 H new ATOM 0 HB VAL A 14 -32.932 17.338 8.578 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -33.059 19.812 8.685 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -31.476 19.280 8.071 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -32.702 19.906 6.944 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -35.108 18.471 8.184 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -34.744 18.563 6.445 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -34.983 16.980 7.221 1.00 0.00 H new ATOM 216 N PHE A 15 -30.496 16.260 7.679 1.00 0.00 N ATOM 217 CA PHE A 15 -29.093 16.086 8.015 1.00 0.00 C ATOM 218 C PHE A 15 -28.313 15.760 6.750 1.00 0.00 C ATOM 219 O PHE A 15 -27.155 16.148 6.601 1.00 0.00 O ATOM 220 CB PHE A 15 -28.926 14.957 9.035 1.00 0.00 C ATOM 221 CG PHE A 15 -28.715 15.548 10.409 1.00 0.00 C ATOM 222 CD1 PHE A 15 -29.499 16.627 10.834 1.00 0.00 C ATOM 223 CD2 PHE A 15 -27.736 15.017 11.258 1.00 0.00 C ATOM 224 CE1 PHE A 15 -29.304 17.176 12.107 1.00 0.00 C ATOM 225 CE2 PHE A 15 -27.540 15.566 12.531 1.00 0.00 C ATOM 226 CZ PHE A 15 -28.325 16.646 12.956 1.00 0.00 C ATOM 0 H PHE A 15 -31.134 15.640 8.178 1.00 0.00 H new ATOM 0 HA PHE A 15 -28.712 17.008 8.454 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -29.809 14.318 9.034 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -28.077 14.329 8.763 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -30.255 17.036 10.180 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -27.132 14.184 10.931 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -29.909 18.009 12.434 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -26.784 15.157 13.185 1.00 0.00 H new ATOM 0 HZ PHE A 15 -28.175 17.069 13.938 1.00 0.00 H new ATOM 236 N ARG A 16 -28.969 15.051 5.833 1.00 0.00 N ATOM 237 CA ARG A 16 -28.334 14.686 4.571 1.00 0.00 C ATOM 238 C ARG A 16 -28.007 15.944 3.775 1.00 0.00 C ATOM 239 O ARG A 16 -26.907 16.089 3.243 1.00 0.00 O ATOM 240 CB ARG A 16 -29.264 13.788 3.749 1.00 0.00 C ATOM 241 CG ARG A 16 -28.537 12.493 3.381 1.00 0.00 C ATOM 242 CD ARG A 16 -29.545 11.478 2.839 1.00 0.00 C ATOM 243 NE ARG A 16 -28.850 10.378 2.182 1.00 0.00 N ATOM 244 CZ ARG A 16 -28.592 10.409 0.879 1.00 0.00 C ATOM 245 NH1 ARG A 16 -28.967 11.434 0.164 1.00 0.00 N ATOM 246 NH2 ARG A 16 -27.967 9.413 0.313 1.00 0.00 N ATOM 0 H ARG A 16 -29.929 14.722 5.939 1.00 0.00 H new ATOM 0 HA ARG A 16 -27.414 14.142 4.786 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -30.165 13.561 4.320 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -29.582 14.308 2.845 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -27.770 12.694 2.633 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -28.030 12.086 4.256 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -30.159 11.094 3.654 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -30.219 11.965 2.134 1.00 0.00 H new ATOM 0 HE ARG A 16 -28.557 9.571 2.732 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -29.458 12.211 0.605 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -28.769 11.458 -0.836 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -27.676 8.610 0.871 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -27.769 9.437 -0.687 1.00 0.00 H new ATOM 260 N ARG A 17 -28.974 16.852 3.707 1.00 0.00 N ATOM 261 CA ARG A 17 -28.787 18.102 2.984 1.00 0.00 C ATOM 262 C ARG A 17 -27.847 19.020 3.755 1.00 0.00 C ATOM 263 O ARG A 17 -27.028 19.724 3.166 1.00 0.00 O ATOM 264 CB ARG A 17 -30.137 18.794 2.787 1.00 0.00 C ATOM 265 CG ARG A 17 -29.951 20.045 1.925 1.00 0.00 C ATOM 266 CD ARG A 17 -31.319 20.565 1.476 1.00 0.00 C ATOM 267 NE ARG A 17 -31.769 21.630 2.364 1.00 0.00 N ATOM 268 CZ ARG A 17 -33.064 21.863 2.556 1.00 0.00 C ATOM 269 NH1 ARG A 17 -33.956 21.127 1.954 1.00 0.00 N ATOM 270 NH2 ARG A 17 -33.443 22.826 3.351 1.00 0.00 N ATOM 0 H ARG A 17 -29.891 16.746 4.142 1.00 0.00 H new ATOM 0 HA ARG A 17 -28.348 17.883 2.011 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -30.840 18.112 2.309 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -30.562 19.066 3.753 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -29.426 20.814 2.491 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -29.336 19.812 1.056 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -31.257 20.936 0.453 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -32.044 19.751 1.476 1.00 0.00 H new ATOM 0 HE ARG A 17 -31.079 22.206 2.846 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -33.661 20.372 1.335 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -34.949 21.306 2.102 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -32.746 23.400 3.825 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -34.436 23.005 3.498 1.00 0.00 H new ATOM 284 N ILE A 18 -27.969 19.005 5.078 1.00 0.00 N ATOM 285 CA ILE A 18 -27.124 19.839 5.922 1.00 0.00 C ATOM 286 C ILE A 18 -25.693 19.304 5.939 1.00 0.00 C ATOM 287 O ILE A 18 -24.738 20.068 6.022 1.00 0.00 O ATOM 288 CB ILE A 18 -27.695 19.885 7.347 1.00 0.00 C ATOM 289 CG1 ILE A 18 -27.695 21.333 7.844 1.00 0.00 C ATOM 290 CG2 ILE A 18 -26.851 19.022 8.291 1.00 0.00 C ATOM 291 CD1 ILE A 18 -28.966 22.035 7.364 1.00 0.00 C ATOM 0 H ILE A 18 -28.640 18.428 5.585 1.00 0.00 H new ATOM 0 HA ILE A 18 -27.107 20.850 5.515 1.00 0.00 H new ATOM 0 HB ILE A 18 -28.713 19.496 7.333 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -27.643 21.355 8.933 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -26.814 21.857 7.472 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -27.270 19.066 9.296 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -26.855 17.990 7.941 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -25.827 19.396 8.308 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -28.968 23.066 7.717 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -28.998 22.024 6.275 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -29.840 21.515 7.758 1.00 0.00 H new ATOM 303 N PHE A 19 -25.564 17.986 5.854 1.00 0.00 N ATOM 304 CA PHE A 19 -24.257 17.341 5.856 1.00 0.00 C ATOM 305 C PHE A 19 -23.539 17.619 4.545 1.00 0.00 C ATOM 306 O PHE A 19 -22.406 18.099 4.535 1.00 0.00 O ATOM 307 CB PHE A 19 -24.421 15.831 6.042 1.00 0.00 C ATOM 308 CG PHE A 19 -23.073 15.160 5.936 1.00 0.00 C ATOM 309 CD1 PHE A 19 -22.522 14.890 4.678 1.00 0.00 C ATOM 310 CD2 PHE A 19 -22.374 14.808 7.097 1.00 0.00 C ATOM 311 CE1 PHE A 19 -21.272 14.266 4.581 1.00 0.00 C ATOM 312 CE2 PHE A 19 -21.125 14.185 7.000 1.00 0.00 C ATOM 313 CZ PHE A 19 -20.574 13.914 5.742 1.00 0.00 C ATOM 0 H PHE A 19 -26.351 17.341 5.783 1.00 0.00 H new ATOM 0 HA PHE A 19 -23.667 17.742 6.680 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -24.868 15.620 7.013 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -25.098 15.432 5.286 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -23.061 15.163 3.782 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -22.799 15.017 8.068 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -20.847 14.056 3.611 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -20.586 13.913 7.896 1.00 0.00 H new ATOM 0 HZ PHE A 19 -19.610 13.433 5.667 1.00 0.00 H new ATOM 323 N ILE A 20 -24.218 17.340 3.438 1.00 0.00 N ATOM 324 CA ILE A 20 -23.639 17.594 2.130 1.00 0.00 C ATOM 325 C ILE A 20 -23.404 19.088 1.986 1.00 0.00 C ATOM 326 O ILE A 20 -22.384 19.527 1.456 1.00 0.00 O ATOM 327 CB ILE A 20 -24.584 17.110 1.030 1.00 0.00 C ATOM 328 CG1 ILE A 20 -24.643 15.580 1.043 1.00 0.00 C ATOM 329 CG2 ILE A 20 -24.071 17.588 -0.329 1.00 0.00 C ATOM 330 CD1 ILE A 20 -25.800 15.107 0.160 1.00 0.00 C ATOM 0 H ILE A 20 -25.157 16.943 3.422 1.00 0.00 H new ATOM 0 HA ILE A 20 -22.696 17.056 2.036 1.00 0.00 H new ATOM 0 HB ILE A 20 -25.581 17.513 1.205 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -23.702 15.166 0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -24.778 15.219 2.063 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -24.744 17.243 -1.114 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -24.029 18.677 -0.339 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -23.074 17.185 -0.504 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -25.843 14.018 0.169 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -26.738 15.510 0.542 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -25.645 15.456 -0.861 1.00 0.00 H new ATOM 342 N THR A 21 -24.361 19.859 2.488 1.00 0.00 N ATOM 343 CA THR A 21 -24.270 21.309 2.449 1.00 0.00 C ATOM 344 C THR A 21 -23.263 21.795 3.487 1.00 0.00 C ATOM 345 O THR A 21 -22.514 22.741 3.241 1.00 0.00 O ATOM 346 CB THR A 21 -25.641 21.932 2.723 1.00 0.00 C ATOM 347 OG1 THR A 21 -26.590 21.408 1.803 1.00 0.00 O ATOM 348 CG2 THR A 21 -25.555 23.450 2.558 1.00 0.00 C ATOM 0 H THR A 21 -25.209 19.501 2.927 1.00 0.00 H new ATOM 0 HA THR A 21 -23.936 21.614 1.457 1.00 0.00 H new ATOM 0 HB THR A 21 -25.951 21.695 3.741 1.00 0.00 H new ATOM 0 HG1 THR A 21 -26.958 20.570 2.154 1.00 0.00 H new ATOM 0 HG21 THR A 21 -26.532 23.893 2.753 1.00 0.00 H new ATOM 0 HG22 THR A 21 -24.827 23.852 3.262 1.00 0.00 H new ATOM 0 HG23 THR A 21 -25.245 23.688 1.540 1.00 0.00 H new ATOM 356 N TYR A 22 -23.246 21.141 4.651 1.00 0.00 N ATOM 357 CA TYR A 22 -22.313 21.529 5.709 1.00 0.00 C ATOM 358 C TYR A 22 -20.883 21.300 5.242 1.00 0.00 C ATOM 359 O TYR A 22 -20.003 22.131 5.464 1.00 0.00 O ATOM 360 CB TYR A 22 -22.574 20.724 6.985 1.00 0.00 C ATOM 361 CG TYR A 22 -21.405 20.877 7.930 1.00 0.00 C ATOM 362 CD1 TYR A 22 -20.225 20.157 7.707 1.00 0.00 C ATOM 363 CD2 TYR A 22 -21.504 21.735 9.031 1.00 0.00 C ATOM 364 CE1 TYR A 22 -19.143 20.298 8.584 1.00 0.00 C ATOM 365 CE2 TYR A 22 -20.422 21.876 9.908 1.00 0.00 C ATOM 366 CZ TYR A 22 -19.242 21.156 9.685 1.00 0.00 C ATOM 367 OH TYR A 22 -18.175 21.295 10.550 1.00 0.00 O ATOM 0 H TYR A 22 -23.855 20.356 4.882 1.00 0.00 H new ATOM 0 HA TYR A 22 -22.461 22.586 5.930 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -23.490 21.070 7.464 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -22.721 19.672 6.740 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -20.150 19.493 6.859 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -22.415 22.288 9.204 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -18.232 19.745 8.411 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -20.497 22.540 10.756 1.00 0.00 H new ATOM 0 HH TYR A 22 -17.443 21.761 10.094 1.00 0.00 H new ATOM 377 N MET A 23 -20.668 20.172 4.577 1.00 0.00 N ATOM 378 CA MET A 23 -19.349 19.843 4.058 1.00 0.00 C ATOM 379 C MET A 23 -19.009 20.777 2.905 1.00 0.00 C ATOM 380 O MET A 23 -17.839 21.037 2.622 1.00 0.00 O ATOM 381 CB MET A 23 -19.321 18.393 3.568 1.00 0.00 C ATOM 382 CG MET A 23 -19.061 17.456 4.748 1.00 0.00 C ATOM 383 SD MET A 23 -17.306 17.508 5.186 1.00 0.00 S ATOM 384 CE MET A 23 -16.777 16.116 4.158 1.00 0.00 C ATOM 0 H MET A 23 -21.386 19.474 4.386 1.00 0.00 H new ATOM 0 HA MET A 23 -18.614 19.962 4.854 1.00 0.00 H new ATOM 0 HB2 MET A 23 -20.269 18.141 3.093 1.00 0.00 H new ATOM 0 HB3 MET A 23 -18.544 18.269 2.814 1.00 0.00 H new ATOM 0 HG2 MET A 23 -19.669 17.753 5.603 1.00 0.00 H new ATOM 0 HG3 MET A 23 -19.352 16.438 4.489 1.00 0.00 H new ATOM 0 HE1 MET A 23 -15.704 15.965 4.275 1.00 0.00 H new ATOM 0 HE2 MET A 23 -17.306 15.214 4.466 1.00 0.00 H new ATOM 0 HE3 MET A 23 -17.002 16.329 3.113 1.00 0.00 H new ATOM 394 N ASP A 24 -20.048 21.274 2.237 1.00 0.00 N ATOM 395 CA ASP A 24 -19.857 22.176 1.105 1.00 0.00 C ATOM 396 C ASP A 24 -19.459 23.572 1.580 1.00 0.00 C ATOM 397 O ASP A 24 -18.516 24.169 1.059 1.00 0.00 O ATOM 398 CB ASP A 24 -21.148 22.264 0.287 1.00 0.00 C ATOM 399 CG ASP A 24 -20.899 23.050 -0.996 1.00 0.00 C ATOM 400 OD1 ASP A 24 -19.964 22.711 -1.702 1.00 0.00 O ATOM 401 OD2 ASP A 24 -21.648 23.977 -1.254 1.00 0.00 O ATOM 0 H ASP A 24 -21.023 21.069 2.458 1.00 0.00 H new ATOM 0 HA ASP A 24 -19.054 21.778 0.484 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -21.505 21.263 0.046 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -21.928 22.748 0.874 1.00 0.00 H new ATOM 406 N ASN A 25 -20.185 24.089 2.565 1.00 0.00 N ATOM 407 CA ASN A 25 -19.902 25.418 3.096 1.00 0.00 C ATOM 408 C ASN A 25 -18.481 25.495 3.649 1.00 0.00 C ATOM 409 O ASN A 25 -17.809 26.517 3.517 1.00 0.00 O ATOM 410 CB ASN A 25 -20.901 25.758 4.204 1.00 0.00 C ATOM 411 CG ASN A 25 -22.281 26.005 3.604 1.00 0.00 C ATOM 412 OD1 ASN A 25 -22.457 25.869 2.318 1.00 0.00 O flip ATOM 413 ND2 ASN A 25 -23.224 26.331 4.325 1.00 0.00 N flip ATOM 0 H ASN A 25 -20.969 23.612 3.010 1.00 0.00 H new ATOM 0 HA ASN A 25 -19.996 26.137 2.282 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -20.949 24.941 4.924 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -20.568 26.643 4.747 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -23.085 26.437 5.330 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -24.145 26.495 3.918 1.00 0.00 H new ATOM 420 N TRP A 26 -18.032 24.410 4.272 1.00 0.00 N ATOM 421 CA TRP A 26 -16.691 24.370 4.846 1.00 0.00 C ATOM 422 C TRP A 26 -15.634 24.619 3.773 1.00 0.00 C ATOM 423 O TRP A 26 -14.584 25.201 4.046 1.00 0.00 O ATOM 424 CB TRP A 26 -16.446 23.005 5.501 1.00 0.00 C ATOM 425 CG TRP A 26 -16.294 23.172 6.979 1.00 0.00 C ATOM 426 CD1 TRP A 26 -17.313 23.195 7.868 1.00 0.00 C ATOM 427 CD2 TRP A 26 -15.071 23.339 7.755 1.00 0.00 C ATOM 428 NE1 TRP A 26 -16.795 23.365 9.139 1.00 0.00 N ATOM 429 CE2 TRP A 26 -15.417 23.459 9.121 1.00 0.00 C ATOM 430 CE3 TRP A 26 -13.709 23.397 7.407 1.00 0.00 C ATOM 431 CZ2 TRP A 26 -14.446 23.631 10.109 1.00 0.00 C ATOM 432 CZ3 TRP A 26 -12.729 23.570 8.399 1.00 0.00 C ATOM 433 CH2 TRP A 26 -13.098 23.686 9.747 1.00 0.00 C ATOM 0 H TRP A 26 -18.572 23.553 4.392 1.00 0.00 H new ATOM 0 HA TRP A 26 -16.616 25.156 5.598 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -17.277 22.334 5.285 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -15.549 22.547 5.084 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -18.361 23.097 7.625 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -17.361 23.415 9.986 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -13.415 23.308 6.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -14.735 23.721 11.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -11.686 23.614 8.122 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -12.340 23.818 10.505 1.00 0.00 H new ATOM 444 N ARG A 27 -15.917 24.172 2.554 1.00 0.00 N ATOM 445 CA ARG A 27 -14.981 24.349 1.450 1.00 0.00 C ATOM 446 C ARG A 27 -14.834 25.824 1.092 1.00 0.00 C ATOM 447 O ARG A 27 -13.826 26.235 0.517 1.00 0.00 O ATOM 448 CB ARG A 27 -15.466 23.572 0.225 1.00 0.00 C ATOM 449 CG ARG A 27 -15.337 22.071 0.490 1.00 0.00 C ATOM 450 CD ARG A 27 -15.105 21.337 -0.831 1.00 0.00 C ATOM 451 NE ARG A 27 -13.680 21.290 -1.139 1.00 0.00 N ATOM 452 CZ ARG A 27 -12.877 20.415 -0.543 1.00 0.00 C ATOM 453 NH1 ARG A 27 -13.359 19.581 0.337 1.00 0.00 N ATOM 454 NH2 ARG A 27 -11.605 20.391 -0.837 1.00 0.00 N ATOM 0 H ARG A 27 -16.780 23.688 2.307 1.00 0.00 H new ATOM 0 HA ARG A 27 -14.009 23.968 1.764 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -16.503 23.826 0.007 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -14.879 23.849 -0.651 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -14.509 21.882 1.174 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -16.240 21.697 0.972 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -15.504 20.325 -0.768 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -15.642 21.841 -1.635 1.00 0.00 H new ATOM 0 HE ARG A 27 -13.293 21.940 -1.824 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -14.352 19.601 0.568 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.742 18.909 0.794 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.228 21.044 -1.524 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.988 19.719 -0.380 1.00 0.00 H new ATOM 468 N GLN A 28 -15.844 26.617 1.432 1.00 0.00 N ATOM 469 CA GLN A 28 -15.812 28.045 1.136 1.00 0.00 C ATOM 470 C GLN A 28 -14.949 28.787 2.152 1.00 0.00 C ATOM 471 O GLN A 28 -14.142 29.642 1.787 1.00 0.00 O ATOM 472 CB GLN A 28 -17.231 28.616 1.152 1.00 0.00 C ATOM 473 CG GLN A 28 -17.802 28.602 -0.266 1.00 0.00 C ATOM 474 CD GLN A 28 -17.107 29.659 -1.118 1.00 0.00 C ATOM 475 OE1 GLN A 28 -16.006 30.099 -0.787 1.00 0.00 O ATOM 476 NE2 GLN A 28 -17.687 30.095 -2.204 1.00 0.00 N ATOM 0 H GLN A 28 -16.688 26.299 1.909 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.379 28.180 0.145 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -17.864 28.027 1.816 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -17.220 29.634 1.541 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -17.666 27.617 -0.712 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -18.875 28.794 -0.237 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -18.599 29.729 -2.477 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -17.228 30.801 -2.779 1.00 0.00 H new ATOM 485 N ASN A 29 -15.123 28.456 3.427 1.00 0.00 N ATOM 486 CA ASN A 29 -14.352 29.102 4.483 1.00 0.00 C ATOM 487 C ASN A 29 -12.945 28.516 4.554 1.00 0.00 C ATOM 488 O ASN A 29 -12.034 29.132 5.107 1.00 0.00 O ATOM 489 CB ASN A 29 -15.053 28.921 5.830 1.00 0.00 C ATOM 490 CG ASN A 29 -14.589 29.996 6.806 1.00 0.00 C ATOM 491 OD1 ASN A 29 -13.431 29.999 7.223 1.00 0.00 O ATOM 492 ND2 ASN A 29 -15.428 30.917 7.196 1.00 0.00 N ATOM 0 H ASN A 29 -15.785 27.751 3.752 1.00 0.00 H new ATOM 0 HA ASN A 29 -14.279 30.165 4.254 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -16.133 28.979 5.698 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -14.834 27.932 6.234 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -15.124 31.641 7.847 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -16.387 30.913 6.849 1.00 0.00 H new ATOM 499 N THR A 30 -12.776 27.324 3.991 1.00 0.00 N ATOM 500 CA THR A 30 -11.474 26.665 3.996 1.00 0.00 C ATOM 501 C THR A 30 -10.471 27.455 3.162 1.00 0.00 C ATOM 502 O THR A 30 -9.274 27.458 3.452 1.00 0.00 O ATOM 503 CB THR A 30 -11.605 25.248 3.434 1.00 0.00 C ATOM 504 OG1 THR A 30 -12.410 24.467 4.307 1.00 0.00 O ATOM 505 CG2 THR A 30 -10.219 24.613 3.311 1.00 0.00 C ATOM 0 H THR A 30 -13.517 26.798 3.529 1.00 0.00 H new ATOM 0 HA THR A 30 -11.115 26.616 5.024 1.00 0.00 H new ATOM 0 HB THR A 30 -12.070 25.290 2.449 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.333 24.457 3.979 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.315 23.604 2.911 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.603 25.212 2.641 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.750 24.570 4.294 1.00 0.00 H new ATOM 513 N THR A 31 -10.967 28.125 2.127 1.00 0.00 N ATOM 514 CA THR A 31 -10.108 28.916 1.256 1.00 0.00 C ATOM 515 C THR A 31 -9.270 29.894 2.075 1.00 0.00 C ATOM 516 O THR A 31 -8.064 30.019 1.865 1.00 0.00 O ATOM 517 CB THR A 31 -10.960 29.689 0.248 1.00 0.00 C ATOM 518 OG1 THR A 31 -11.691 30.700 0.927 1.00 0.00 O ATOM 519 CG2 THR A 31 -11.931 28.730 -0.444 1.00 0.00 C ATOM 0 H THR A 31 -11.955 28.136 1.872 1.00 0.00 H new ATOM 0 HA THR A 31 -9.439 28.240 0.723 1.00 0.00 H new ATOM 0 HB THR A 31 -10.313 30.148 -0.500 1.00 0.00 H new ATOM 0 HG1 THR A 31 -12.543 30.332 1.243 1.00 0.00 H new ATOM 0 HG21 THR A 31 -12.538 29.282 -1.162 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.368 27.955 -0.964 1.00 0.00 H new ATOM 0 HG23 THR A 31 -12.580 28.269 0.301 1.00 0.00 H new ATOM 527 N ALA A 32 -9.917 30.585 3.008 1.00 0.00 N ATOM 528 CA ALA A 32 -9.219 31.548 3.852 1.00 0.00 C ATOM 529 C ALA A 32 -7.974 30.917 4.465 1.00 0.00 C ATOM 530 O ALA A 32 -6.927 31.557 4.565 1.00 0.00 O ATOM 531 CB ALA A 32 -10.147 32.035 4.967 1.00 0.00 C ATOM 0 H ALA A 32 -10.915 30.497 3.198 1.00 0.00 H new ATOM 0 HA ALA A 32 -8.919 32.394 3.234 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -9.618 32.754 5.593 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -11.024 32.512 4.528 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -10.461 31.187 5.575 1.00 0.00 H new ATOM 537 N GLU A 33 -8.095 29.658 4.873 1.00 0.00 N ATOM 538 CA GLU A 33 -6.972 28.949 5.474 1.00 0.00 C ATOM 539 C GLU A 33 -5.902 28.658 4.427 1.00 0.00 C ATOM 540 O GLU A 33 -4.707 28.693 4.720 1.00 0.00 O ATOM 541 CB GLU A 33 -7.454 27.634 6.092 1.00 0.00 C ATOM 542 CG GLU A 33 -7.727 27.839 7.583 1.00 0.00 C ATOM 543 CD GLU A 33 -6.436 27.670 8.378 1.00 0.00 C ATOM 544 OE1 GLU A 33 -5.398 28.070 7.877 1.00 0.00 O ATOM 545 OE2 GLU A 33 -6.505 27.142 9.476 1.00 0.00 O ATOM 0 H GLU A 33 -8.953 29.111 4.799 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.543 29.580 6.252 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.360 27.294 5.589 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.702 26.858 5.953 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.140 28.833 7.752 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.472 27.121 7.927 1.00 0.00 H new ATOM 552 N GLN A 34 -6.339 28.371 3.205 1.00 0.00 N ATOM 553 CA GLN A 34 -5.410 28.076 2.122 1.00 0.00 C ATOM 554 C GLN A 34 -4.713 29.348 1.650 1.00 0.00 C ATOM 555 O GLN A 34 -3.518 29.340 1.354 1.00 0.00 O ATOM 556 CB GLN A 34 -6.159 27.440 0.950 1.00 0.00 C ATOM 557 CG GLN A 34 -5.280 26.369 0.302 1.00 0.00 C ATOM 558 CD GLN A 34 -6.039 25.689 -0.833 1.00 0.00 C ATOM 559 OE1 GLN A 34 -7.146 25.190 -0.630 1.00 0.00 O ATOM 560 NE2 GLN A 34 -5.507 25.640 -2.024 1.00 0.00 N ATOM 0 H GLN A 34 -7.324 28.337 2.942 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.658 27.380 2.495 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.092 26.997 1.298 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.422 28.202 0.216 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.365 26.820 -0.081 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.984 25.630 1.047 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.590 26.054 -2.190 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.009 25.188 -2.788 1.00 0.00 H new ATOM 569 N GLU A 35 -5.468 30.439 1.582 1.00 0.00 N ATOM 570 CA GLU A 35 -4.913 31.714 1.142 1.00 0.00 C ATOM 571 C GLU A 35 -3.708 32.099 1.994 1.00 0.00 C ATOM 572 O GLU A 35 -2.705 32.593 1.479 1.00 0.00 O ATOM 573 CB GLU A 35 -5.978 32.807 1.237 1.00 0.00 C ATOM 574 CG GLU A 35 -5.426 34.112 0.660 1.00 0.00 C ATOM 575 CD GLU A 35 -4.911 35.003 1.785 1.00 0.00 C ATOM 576 OE1 GLU A 35 -3.786 34.796 2.211 1.00 0.00 O ATOM 577 OE2 GLU A 35 -5.649 35.879 2.206 1.00 0.00 O ATOM 0 H GLU A 35 -6.459 30.467 1.824 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.591 31.609 0.106 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.872 32.506 0.692 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.272 32.953 2.276 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.621 33.897 -0.042 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.205 34.631 0.102 1.00 0.00 H new ATOM 584 N ALA A 36 -3.813 31.873 3.299 1.00 0.00 N ATOM 585 CA ALA A 36 -2.723 32.204 4.211 1.00 0.00 C ATOM 586 C ALA A 36 -1.573 31.213 4.059 1.00 0.00 C ATOM 587 O ALA A 36 -0.404 31.589 4.140 1.00 0.00 O ATOM 588 CB ALA A 36 -3.226 32.187 5.655 1.00 0.00 C ATOM 0 H ALA A 36 -4.634 31.466 3.747 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.361 33.202 3.964 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.406 32.435 6.329 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.025 32.919 5.771 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.606 31.194 5.896 1.00 0.00 H new ATOM 594 N LEU A 37 -1.912 29.947 3.840 1.00 0.00 N ATOM 595 CA LEU A 37 -0.897 28.913 3.680 1.00 0.00 C ATOM 596 C LEU A 37 -0.190 29.055 2.336 1.00 0.00 C ATOM 597 O LEU A 37 1.036 28.978 2.259 1.00 0.00 O ATOM 598 CB LEU A 37 -1.541 27.528 3.778 1.00 0.00 C ATOM 599 CG LEU A 37 -1.253 26.928 5.155 1.00 0.00 C ATOM 600 CD1 LEU A 37 -1.690 27.912 6.242 1.00 0.00 C ATOM 601 CD2 LEU A 37 -2.029 25.618 5.312 1.00 0.00 C ATOM 0 H LEU A 37 -2.874 29.614 3.770 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.161 29.028 4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.617 27.603 3.620 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.149 26.877 2.997 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.185 26.732 5.250 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.485 27.485 7.223 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.139 28.846 6.130 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.758 28.108 6.148 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.825 25.189 6.293 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.097 25.814 5.217 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.719 24.916 4.538 1.00 0.00 H new ATOM 613 N GLN A 38 -0.969 29.263 1.278 1.00 0.00 N ATOM 614 CA GLN A 38 -0.399 29.414 -0.056 1.00 0.00 C ATOM 615 C GLN A 38 0.672 30.501 -0.057 1.00 0.00 C ATOM 616 O GLN A 38 1.570 30.500 -0.899 1.00 0.00 O ATOM 617 CB GLN A 38 -1.501 29.761 -1.063 1.00 0.00 C ATOM 618 CG GLN A 38 -1.602 31.280 -1.228 1.00 0.00 C ATOM 619 CD GLN A 38 -2.870 31.638 -1.997 1.00 0.00 C ATOM 620 OE1 GLN A 38 -3.564 32.683 -1.639 1.00 0.00 O flip ATOM 621 NE2 GLN A 38 -3.237 30.947 -2.947 1.00 0.00 N flip ATOM 0 H GLN A 38 -1.986 29.330 1.318 1.00 0.00 H new ATOM 0 HA GLN A 38 0.062 28.470 -0.346 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.285 29.296 -2.025 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.456 29.360 -0.722 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.612 31.760 -0.250 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.727 31.655 -1.758 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.692 30.131 -3.224 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.086 31.191 -3.457 1.00 0.00 H new ATOM 630 N ALA A 39 0.572 31.423 0.895 1.00 0.00 N ATOM 631 CA ALA A 39 1.541 32.507 0.997 1.00 0.00 C ATOM 632 C ALA A 39 2.900 31.962 1.423 1.00 0.00 C ATOM 633 O ALA A 39 3.934 32.584 1.181 1.00 0.00 O ATOM 634 CB ALA A 39 1.060 33.545 2.014 1.00 0.00 C ATOM 0 H ALA A 39 -0.164 31.442 1.601 1.00 0.00 H new ATOM 0 HA ALA A 39 1.639 32.980 0.020 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.790 34.351 2.084 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.101 33.951 1.694 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.946 33.073 2.990 1.00 0.00 H new ATOM 640 N LYS A 40 2.887 30.793 2.056 1.00 0.00 N ATOM 641 CA LYS A 40 4.123 30.164 2.508 1.00 0.00 C ATOM 642 C LYS A 40 4.566 29.094 1.517 1.00 0.00 C ATOM 643 O LYS A 40 5.717 28.657 1.536 1.00 0.00 O ATOM 644 CB LYS A 40 3.913 29.524 3.881 1.00 0.00 C ATOM 645 CG LYS A 40 4.053 30.584 4.975 1.00 0.00 C ATOM 646 CD LYS A 40 4.075 29.899 6.342 1.00 0.00 C ATOM 647 CE LYS A 40 3.960 30.951 7.445 1.00 0.00 C ATOM 648 NZ LYS A 40 4.613 30.441 8.684 1.00 0.00 N ATOM 0 H LYS A 40 2.040 30.265 2.267 1.00 0.00 H new ATOM 0 HA LYS A 40 4.895 30.931 2.577 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.926 29.065 3.931 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.642 28.729 4.037 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.969 31.157 4.828 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.224 31.290 4.922 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.252 29.188 6.417 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.998 29.332 6.461 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.433 31.880 7.127 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.912 31.177 7.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.536 31.155 9.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.143 29.565 8.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.617 30.247 8.493 1.00 0.00 H new ATOM 662 N VAL A 41 3.639 28.677 0.657 1.00 0.00 N ATOM 663 CA VAL A 41 3.925 27.655 -0.344 1.00 0.00 C ATOM 664 C VAL A 41 5.109 26.793 0.081 1.00 0.00 C ATOM 665 O VAL A 41 5.174 26.325 1.218 1.00 0.00 O ATOM 666 CB VAL A 41 4.226 28.313 -1.693 1.00 0.00 C ATOM 667 CG1 VAL A 41 5.576 29.032 -1.627 1.00 0.00 C ATOM 668 CG2 VAL A 41 4.271 27.240 -2.785 1.00 0.00 C ATOM 0 H VAL A 41 2.683 29.032 0.634 1.00 0.00 H new ATOM 0 HA VAL A 41 3.047 27.016 -0.438 1.00 0.00 H new ATOM 0 HB VAL A 41 3.444 29.036 -1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.787 29.499 -2.589 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.543 29.797 -0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.361 28.312 -1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.485 27.708 -3.746 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.052 26.516 -2.552 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.308 26.732 -2.836 1.00 0.00 H new ATOM 678 N ASP A 42 6.041 26.586 -0.842 1.00 0.00 N ATOM 679 CA ASP A 42 7.221 25.779 -0.558 1.00 0.00 C ATOM 680 C ASP A 42 8.454 26.381 -1.224 1.00 0.00 C ATOM 681 O ASP A 42 8.588 26.351 -2.447 1.00 0.00 O ATOM 682 CB ASP A 42 7.011 24.350 -1.063 1.00 0.00 C ATOM 683 CG ASP A 42 8.355 23.645 -1.201 1.00 0.00 C ATOM 684 OD1 ASP A 42 9.210 23.875 -0.362 1.00 0.00 O ATOM 685 OD2 ASP A 42 8.511 22.888 -2.145 1.00 0.00 O ATOM 0 H ASP A 42 6.003 26.964 -1.789 1.00 0.00 H new ATOM 0 HA ASP A 42 7.376 25.763 0.521 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.372 23.801 -0.371 1.00 0.00 H new ATOM 0 HB3 ASP A 42 6.499 24.367 -2.025 1.00 0.00 H new ATOM 690 N ALA A 43 9.351 26.929 -0.411 1.00 0.00 N ATOM 691 CA ALA A 43 10.568 27.538 -0.933 1.00 0.00 C ATOM 692 C ALA A 43 11.540 26.467 -1.417 1.00 0.00 C ATOM 693 O ALA A 43 12.373 26.719 -2.287 1.00 0.00 O ATOM 694 CB ALA A 43 11.236 28.384 0.152 1.00 0.00 C ATOM 0 H ALA A 43 9.259 26.964 0.604 1.00 0.00 H new ATOM 0 HA ALA A 43 10.299 28.175 -1.776 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.145 28.835 -0.246 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.552 29.169 0.474 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.488 27.751 1.003 1.00 0.00 H new ATOM 700 N GLU A 44 11.429 25.273 -0.846 1.00 0.00 N ATOM 701 CA GLU A 44 12.305 24.171 -1.226 1.00 0.00 C ATOM 702 C GLU A 44 11.969 23.676 -2.630 1.00 0.00 C ATOM 703 O GLU A 44 12.859 23.464 -3.453 1.00 0.00 O ATOM 704 CB GLU A 44 12.159 23.021 -0.228 1.00 0.00 C ATOM 705 CG GLU A 44 11.838 23.586 1.156 1.00 0.00 C ATOM 706 CD GLU A 44 12.350 22.639 2.237 1.00 0.00 C ATOM 707 OE1 GLU A 44 13.505 22.253 2.159 1.00 0.00 O ATOM 708 OE2 GLU A 44 11.581 22.315 3.126 1.00 0.00 O ATOM 0 H GLU A 44 10.746 25.044 -0.123 1.00 0.00 H new ATOM 0 HA GLU A 44 13.334 24.531 -1.218 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.367 22.345 -0.549 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.080 22.439 -0.190 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.298 24.567 1.273 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.762 23.724 1.261 1.00 0.00 H new ATOM 715 N ASN A 45 10.679 23.491 -2.894 1.00 0.00 N ATOM 716 CA ASN A 45 10.237 23.018 -4.202 1.00 0.00 C ATOM 717 C ASN A 45 10.654 21.567 -4.413 1.00 0.00 C ATOM 718 O ASN A 45 9.894 20.765 -4.957 1.00 0.00 O ATOM 719 CB ASN A 45 10.841 23.889 -5.305 1.00 0.00 C ATOM 720 CG ASN A 45 10.740 25.361 -4.922 1.00 0.00 C ATOM 721 OD1 ASN A 45 11.746 25.941 -4.326 1.00 0.00 O flip ATOM 722 ND2 ASN A 45 9.718 26.000 -5.172 1.00 0.00 N flip ATOM 0 H ASN A 45 9.927 23.660 -2.226 1.00 0.00 H new ATOM 0 HA ASN A 45 9.150 23.083 -4.243 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.884 23.617 -5.464 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.319 23.713 -6.245 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.933 25.545 -5.638 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.656 26.985 -4.913 1.00 0.00 H new ATOM 729 N PHE A 46 11.866 21.237 -3.980 1.00 0.00 N ATOM 730 CA PHE A 46 12.375 19.879 -4.127 1.00 0.00 C ATOM 731 C PHE A 46 11.559 18.907 -3.281 1.00 0.00 C ATOM 732 O PHE A 46 11.474 17.720 -3.592 1.00 0.00 O ATOM 733 CB PHE A 46 13.843 19.825 -3.698 1.00 0.00 C ATOM 734 CG PHE A 46 14.721 20.268 -4.845 1.00 0.00 C ATOM 735 CD1 PHE A 46 14.956 19.404 -5.921 1.00 0.00 C ATOM 736 CD2 PHE A 46 15.299 21.543 -4.831 1.00 0.00 C ATOM 737 CE1 PHE A 46 15.771 19.815 -6.983 1.00 0.00 C ATOM 738 CE2 PHE A 46 16.114 21.953 -5.893 1.00 0.00 C ATOM 739 CZ PHE A 46 16.350 21.089 -6.969 1.00 0.00 C ATOM 0 H PHE A 46 12.510 21.886 -3.528 1.00 0.00 H new ATOM 0 HA PHE A 46 12.291 19.589 -5.174 1.00 0.00 H new ATOM 0 HB2 PHE A 46 14.004 20.469 -2.833 1.00 0.00 H new ATOM 0 HB3 PHE A 46 14.107 18.812 -3.394 1.00 0.00 H new ATOM 0 HD1 PHE A 46 14.509 18.421 -5.932 1.00 0.00 H new ATOM 0 HD2 PHE A 46 15.116 22.210 -4.001 1.00 0.00 H new ATOM 0 HE1 PHE A 46 15.953 19.149 -7.813 1.00 0.00 H new ATOM 0 HE2 PHE A 46 16.561 22.936 -5.882 1.00 0.00 H new ATOM 0 HZ PHE A 46 16.979 21.406 -7.788 1.00 0.00 H new ATOM 749 N TYR A 47 10.959 19.420 -2.211 1.00 0.00 N ATOM 750 CA TYR A 47 10.151 18.587 -1.328 1.00 0.00 C ATOM 751 C TYR A 47 8.832 18.215 -1.999 1.00 0.00 C ATOM 752 O TYR A 47 8.278 17.145 -1.750 1.00 0.00 O ATOM 753 CB TYR A 47 9.866 19.331 -0.023 1.00 0.00 C ATOM 754 CG TYR A 47 10.896 18.945 1.011 1.00 0.00 C ATOM 755 CD1 TYR A 47 12.244 18.839 0.649 1.00 0.00 C ATOM 756 CD2 TYR A 47 10.504 18.695 2.331 1.00 0.00 C ATOM 757 CE1 TYR A 47 13.200 18.481 1.607 1.00 0.00 C ATOM 758 CE2 TYR A 47 11.459 18.337 3.289 1.00 0.00 C ATOM 759 CZ TYR A 47 12.807 18.231 2.927 1.00 0.00 C ATOM 760 OH TYR A 47 13.750 17.879 3.872 1.00 0.00 O ATOM 0 H TYR A 47 11.016 20.401 -1.936 1.00 0.00 H new ATOM 0 HA TYR A 47 10.708 17.675 -1.113 1.00 0.00 H new ATOM 0 HB2 TYR A 47 9.891 20.407 -0.193 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.866 19.088 0.336 1.00 0.00 H new ATOM 0 HD1 TYR A 47 12.547 19.033 -0.369 1.00 0.00 H new ATOM 0 HD2 TYR A 47 9.464 18.778 2.610 1.00 0.00 H new ATOM 0 HE1 TYR A 47 14.240 18.398 1.328 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.156 18.143 4.307 1.00 0.00 H new ATOM 0 HH TYR A 47 13.311 17.742 4.737 1.00 0.00 H new ATOM 770 N TYR A 48 8.335 19.107 -2.850 1.00 0.00 N ATOM 771 CA TYR A 48 7.079 18.862 -3.550 1.00 0.00 C ATOM 772 C TYR A 48 7.163 17.579 -4.370 1.00 0.00 C ATOM 773 O TYR A 48 6.213 16.798 -4.416 1.00 0.00 O ATOM 774 CB TYR A 48 6.758 20.039 -4.472 1.00 0.00 C ATOM 775 CG TYR A 48 5.773 19.599 -5.529 1.00 0.00 C ATOM 776 CD1 TYR A 48 4.411 19.504 -5.221 1.00 0.00 C ATOM 777 CD2 TYR A 48 6.222 19.286 -6.818 1.00 0.00 C ATOM 778 CE1 TYR A 48 3.497 19.098 -6.201 1.00 0.00 C ATOM 779 CE2 TYR A 48 5.309 18.880 -7.798 1.00 0.00 C ATOM 780 CZ TYR A 48 3.947 18.785 -7.490 1.00 0.00 C ATOM 781 OH TYR A 48 3.046 18.385 -8.457 1.00 0.00 O ATOM 0 H TYR A 48 8.778 19.999 -3.070 1.00 0.00 H new ATOM 0 HA TYR A 48 6.287 18.754 -2.809 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.342 20.864 -3.894 1.00 0.00 H new ATOM 0 HB3 TYR A 48 7.671 20.406 -4.941 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.065 19.744 -4.227 1.00 0.00 H new ATOM 0 HD2 TYR A 48 7.273 19.358 -7.056 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.446 19.026 -5.963 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.656 18.640 -8.792 1.00 0.00 H new ATOM 0 HH TYR A 48 3.523 18.207 -9.295 1.00 0.00 H new ATOM 791 N VAL A 49 8.304 17.370 -5.019 1.00 0.00 N ATOM 792 CA VAL A 49 8.497 16.179 -5.838 1.00 0.00 C ATOM 793 C VAL A 49 8.822 14.968 -4.966 1.00 0.00 C ATOM 794 O VAL A 49 8.439 13.842 -5.286 1.00 0.00 O ATOM 795 CB VAL A 49 9.631 16.409 -6.839 1.00 0.00 C ATOM 796 CG1 VAL A 49 9.154 17.352 -7.945 1.00 0.00 C ATOM 797 CG2 VAL A 49 10.828 17.036 -6.118 1.00 0.00 C ATOM 0 H VAL A 49 9.103 18.004 -4.994 1.00 0.00 H new ATOM 0 HA VAL A 49 7.570 15.983 -6.377 1.00 0.00 H new ATOM 0 HB VAL A 49 9.927 15.456 -7.277 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.962 17.515 -8.658 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.301 16.908 -8.459 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.858 18.305 -7.508 1.00 0.00 H new ATOM 0 HG21 VAL A 49 11.637 17.200 -6.830 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.531 17.989 -5.680 1.00 0.00 H new ATOM 0 HG23 VAL A 49 11.170 16.366 -5.329 1.00 0.00 H new ATOM 807 N ILE A 50 9.531 15.204 -3.866 1.00 0.00 N ATOM 808 CA ILE A 50 9.900 14.118 -2.962 1.00 0.00 C ATOM 809 C ILE A 50 8.670 13.585 -2.233 1.00 0.00 C ATOM 810 O ILE A 50 8.483 12.374 -2.117 1.00 0.00 O ATOM 811 CB ILE A 50 10.925 14.612 -1.938 1.00 0.00 C ATOM 812 CG1 ILE A 50 12.253 14.899 -2.643 1.00 0.00 C ATOM 813 CG2 ILE A 50 11.139 13.537 -0.870 1.00 0.00 C ATOM 814 CD1 ILE A 50 13.160 15.706 -1.712 1.00 0.00 C ATOM 0 H ILE A 50 9.859 16.127 -3.581 1.00 0.00 H new ATOM 0 HA ILE A 50 10.337 13.314 -3.554 1.00 0.00 H new ATOM 0 HB ILE A 50 10.557 15.524 -1.468 1.00 0.00 H new ATOM 0 HG12 ILE A 50 12.739 13.964 -2.921 1.00 0.00 H new ATOM 0 HG13 ILE A 50 12.075 15.452 -3.565 1.00 0.00 H new ATOM 0 HG21 ILE A 50 11.869 13.889 -0.141 1.00 0.00 H new ATOM 0 HG22 ILE A 50 10.194 13.331 -0.367 1.00 0.00 H new ATOM 0 HG23 ILE A 50 11.507 12.625 -1.340 1.00 0.00 H new ATOM 0 HD11 ILE A 50 14.106 15.911 -2.213 1.00 0.00 H new ATOM 0 HD12 ILE A 50 12.674 16.647 -1.456 1.00 0.00 H new ATOM 0 HD13 ILE A 50 13.348 15.136 -0.802 1.00 0.00 H new ATOM 826 N LEU A 51 7.837 14.497 -1.744 1.00 0.00 N ATOM 827 CA LEU A 51 6.627 14.108 -1.027 1.00 0.00 C ATOM 828 C LEU A 51 5.669 13.366 -1.953 1.00 0.00 C ATOM 829 O LEU A 51 4.981 12.435 -1.535 1.00 0.00 O ATOM 830 CB LEU A 51 5.936 15.352 -0.461 1.00 0.00 C ATOM 831 CG LEU A 51 5.194 14.987 0.826 1.00 0.00 C ATOM 832 CD1 LEU A 51 6.021 15.432 2.034 1.00 0.00 C ATOM 833 CD2 LEU A 51 3.837 15.696 0.850 1.00 0.00 C ATOM 0 H LEU A 51 7.975 15.504 -1.830 1.00 0.00 H new ATOM 0 HA LEU A 51 6.908 13.444 -0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.673 16.130 -0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.237 15.757 -1.193 1.00 0.00 H new ATOM 0 HG LEU A 51 5.043 13.908 0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.493 15.172 2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.988 14.930 2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.171 16.511 1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.307 15.437 1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.989 16.775 0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.247 15.382 -0.011 1.00 0.00 H new ATOM 845 N TYR A 52 5.630 13.786 -3.213 1.00 0.00 N ATOM 846 CA TYR A 52 4.752 13.158 -4.195 1.00 0.00 C ATOM 847 C TYR A 52 5.084 11.676 -4.348 1.00 0.00 C ATOM 848 O TYR A 52 4.189 10.842 -4.490 1.00 0.00 O ATOM 849 CB TYR A 52 4.904 13.856 -5.547 1.00 0.00 C ATOM 850 CG TYR A 52 3.883 13.310 -6.517 1.00 0.00 C ATOM 851 CD1 TYR A 52 2.608 13.884 -6.589 1.00 0.00 C ATOM 852 CD2 TYR A 52 4.212 12.231 -7.346 1.00 0.00 C ATOM 853 CE1 TYR A 52 1.662 13.379 -7.490 1.00 0.00 C ATOM 854 CE2 TYR A 52 3.266 11.726 -8.247 1.00 0.00 C ATOM 855 CZ TYR A 52 1.992 12.300 -8.319 1.00 0.00 C ATOM 856 OH TYR A 52 1.060 11.804 -9.208 1.00 0.00 O ATOM 0 H TYR A 52 6.193 14.555 -3.578 1.00 0.00 H new ATOM 0 HA TYR A 52 3.724 13.252 -3.846 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.770 14.931 -5.429 1.00 0.00 H new ATOM 0 HB3 TYR A 52 5.910 13.701 -5.937 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.354 14.716 -5.950 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.195 11.788 -7.291 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.678 13.822 -7.545 1.00 0.00 H new ATOM 0 HE2 TYR A 52 3.520 10.893 -8.886 1.00 0.00 H new ATOM 0 HH TYR A 52 1.450 11.057 -9.708 1.00 0.00 H new ATOM 866 N LEU A 53 6.374 11.356 -4.324 1.00 0.00 N ATOM 867 CA LEU A 53 6.811 9.971 -4.468 1.00 0.00 C ATOM 868 C LEU A 53 6.465 9.159 -3.222 1.00 0.00 C ATOM 869 O LEU A 53 6.099 7.987 -3.317 1.00 0.00 O ATOM 870 CB LEU A 53 8.323 9.923 -4.710 1.00 0.00 C ATOM 871 CG LEU A 53 8.610 9.223 -6.039 1.00 0.00 C ATOM 872 CD1 LEU A 53 8.244 10.154 -7.196 1.00 0.00 C ATOM 873 CD2 LEU A 53 10.097 8.873 -6.120 1.00 0.00 C ATOM 0 H LEU A 53 7.130 12.031 -4.207 1.00 0.00 H new ATOM 0 HA LEU A 53 6.291 9.536 -5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.731 10.934 -4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.815 9.392 -3.895 1.00 0.00 H new ATOM 0 HG LEU A 53 8.017 8.311 -6.104 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.449 9.655 -8.143 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.185 10.405 -7.140 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.837 11.066 -7.131 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.302 8.374 -7.067 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.690 9.785 -6.055 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.360 8.210 -5.296 1.00 0.00 H new ATOM 885 N MET A 54 6.584 9.787 -2.057 1.00 0.00 N ATOM 886 CA MET A 54 6.281 9.107 -0.802 1.00 0.00 C ATOM 887 C MET A 54 4.881 8.501 -0.842 1.00 0.00 C ATOM 888 O MET A 54 4.681 7.347 -0.463 1.00 0.00 O ATOM 889 CB MET A 54 6.377 10.093 0.364 1.00 0.00 C ATOM 890 CG MET A 54 6.255 9.333 1.687 1.00 0.00 C ATOM 891 SD MET A 54 7.864 9.301 2.515 1.00 0.00 S ATOM 892 CE MET A 54 7.267 8.839 4.160 1.00 0.00 C ATOM 0 H MET A 54 6.885 10.756 -1.955 1.00 0.00 H new ATOM 0 HA MET A 54 7.007 8.306 -0.663 1.00 0.00 H new ATOM 0 HB2 MET A 54 7.327 10.627 0.325 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.588 10.841 0.288 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.514 9.812 2.327 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.908 8.316 1.504 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.111 8.761 4.845 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.574 9.599 4.522 1.00 0.00 H new ATOM 0 HE3 MET A 54 6.755 7.878 4.105 1.00 0.00 H new ATOM 902 N VAL A 55 3.916 9.290 -1.302 1.00 0.00 N ATOM 903 CA VAL A 55 2.535 8.826 -1.386 1.00 0.00 C ATOM 904 C VAL A 55 2.320 7.995 -2.648 1.00 0.00 C ATOM 905 O VAL A 55 1.328 7.276 -2.768 1.00 0.00 O ATOM 906 CB VAL A 55 1.586 10.024 -1.397 1.00 0.00 C ATOM 907 CG1 VAL A 55 1.546 10.658 -0.005 1.00 0.00 C ATOM 908 CG2 VAL A 55 2.085 11.056 -2.411 1.00 0.00 C ATOM 0 H VAL A 55 4.062 10.248 -1.621 1.00 0.00 H new ATOM 0 HA VAL A 55 2.328 8.202 -0.517 1.00 0.00 H new ATOM 0 HB VAL A 55 0.585 9.693 -1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.869 11.512 -0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.194 9.923 0.719 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.546 10.991 0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.410 11.912 -2.421 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.086 11.386 -2.132 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.115 10.606 -3.403 1.00 0.00 H new ATOM 918 N MET A 56 3.254 8.101 -3.587 1.00 0.00 N ATOM 919 CA MET A 56 3.155 7.356 -4.837 1.00 0.00 C ATOM 920 C MET A 56 3.247 5.855 -4.577 1.00 0.00 C ATOM 921 O MET A 56 2.263 5.128 -4.717 1.00 0.00 O ATOM 922 CB MET A 56 4.279 7.783 -5.785 1.00 0.00 C ATOM 923 CG MET A 56 4.152 7.033 -7.113 1.00 0.00 C ATOM 924 SD MET A 56 5.737 7.085 -7.985 1.00 0.00 S ATOM 925 CE MET A 56 5.113 6.637 -9.623 1.00 0.00 C ATOM 0 H MET A 56 4.082 8.691 -3.508 1.00 0.00 H new ATOM 0 HA MET A 56 2.190 7.573 -5.294 1.00 0.00 H new ATOM 0 HB2 MET A 56 4.232 8.858 -5.958 1.00 0.00 H new ATOM 0 HB3 MET A 56 5.248 7.576 -5.331 1.00 0.00 H new ATOM 0 HG2 MET A 56 3.857 5.999 -6.933 1.00 0.00 H new ATOM 0 HG3 MET A 56 3.372 7.485 -7.726 1.00 0.00 H new ATOM 0 HE1 MET A 56 5.940 6.609 -10.332 1.00 0.00 H new ATOM 0 HE2 MET A 56 4.642 5.655 -9.577 1.00 0.00 H new ATOM 0 HE3 MET A 56 4.381 7.376 -9.948 1.00 0.00 H new ATOM 935 N ILE A 57 4.437 5.398 -4.203 1.00 0.00 N ATOM 936 CA ILE A 57 4.654 3.982 -3.930 1.00 0.00 C ATOM 937 C ILE A 57 3.941 3.557 -2.649 1.00 0.00 C ATOM 938 O ILE A 57 3.414 2.448 -2.560 1.00 0.00 O ATOM 939 CB ILE A 57 6.152 3.705 -3.796 1.00 0.00 C ATOM 940 CG1 ILE A 57 6.388 2.193 -3.746 1.00 0.00 C ATOM 941 CG2 ILE A 57 6.676 4.346 -2.510 1.00 0.00 C ATOM 942 CD1 ILE A 57 6.190 1.597 -5.142 1.00 0.00 C ATOM 0 H ILE A 57 5.263 5.984 -4.082 1.00 0.00 H new ATOM 0 HA ILE A 57 4.245 3.407 -4.761 1.00 0.00 H new ATOM 0 HB ILE A 57 6.678 4.127 -4.652 1.00 0.00 H new ATOM 0 HG12 ILE A 57 7.397 1.984 -3.390 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.698 1.730 -3.040 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.744 4.149 -2.414 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.507 5.422 -2.545 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.151 3.924 -1.653 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.358 0.521 -5.105 1.00 0.00 H new ATOM 0 HD12 ILE A 57 5.173 1.794 -5.481 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.898 2.051 -5.835 1.00 0.00 H new ATOM 954 N GLY A 58 3.935 4.441 -1.658 1.00 0.00 N ATOM 955 CA GLY A 58 3.292 4.141 -0.384 1.00 0.00 C ATOM 956 C GLY A 58 1.843 3.708 -0.584 1.00 0.00 C ATOM 957 O GLY A 58 1.369 2.779 0.070 1.00 0.00 O ATOM 0 H GLY A 58 4.365 5.365 -1.711 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.843 3.351 0.127 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.326 5.020 0.259 1.00 0.00 H new ATOM 961 N MET A 59 1.143 4.386 -1.487 1.00 0.00 N ATOM 962 CA MET A 59 -0.252 4.058 -1.758 1.00 0.00 C ATOM 963 C MET A 59 -0.358 2.741 -2.521 1.00 0.00 C ATOM 964 O MET A 59 -1.213 1.906 -2.224 1.00 0.00 O ATOM 965 CB MET A 59 -0.903 5.176 -2.574 1.00 0.00 C ATOM 966 CG MET A 59 -1.158 6.384 -1.672 1.00 0.00 C ATOM 967 SD MET A 59 -2.866 6.342 -1.076 1.00 0.00 S ATOM 968 CE MET A 59 -3.292 8.051 -1.489 1.00 0.00 C ATOM 0 H MET A 59 1.514 5.159 -2.039 1.00 0.00 H new ATOM 0 HA MET A 59 -0.771 3.954 -0.805 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.256 5.459 -3.404 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.841 4.827 -3.006 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.467 6.374 -0.829 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.976 7.307 -2.222 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.325 8.248 -1.201 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.630 8.731 -0.953 1.00 0.00 H new ATOM 0 HE3 MET A 59 -3.179 8.205 -2.562 1.00 0.00 H new ATOM 978 N PHE A 60 0.513 2.564 -3.508 1.00 0.00 N ATOM 979 CA PHE A 60 0.507 1.347 -4.312 1.00 0.00 C ATOM 980 C PHE A 60 0.840 0.130 -3.455 1.00 0.00 C ATOM 981 O PHE A 60 0.281 -0.950 -3.650 1.00 0.00 O ATOM 982 CB PHE A 60 1.527 1.467 -5.447 1.00 0.00 C ATOM 983 CG PHE A 60 0.911 0.970 -6.733 1.00 0.00 C ATOM 984 CD1 PHE A 60 0.706 -0.402 -6.927 1.00 0.00 C ATOM 985 CD2 PHE A 60 0.544 1.881 -7.729 1.00 0.00 C ATOM 986 CE1 PHE A 60 0.133 -0.861 -8.119 1.00 0.00 C ATOM 987 CE2 PHE A 60 -0.029 1.421 -8.921 1.00 0.00 C ATOM 988 CZ PHE A 60 -0.235 0.050 -9.116 1.00 0.00 C ATOM 0 H PHE A 60 1.228 3.243 -3.770 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.492 1.218 -4.729 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.841 2.505 -5.559 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.419 0.887 -5.211 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.990 -1.105 -6.158 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.703 2.939 -7.579 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.025 -1.919 -8.269 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.312 2.124 -9.690 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.678 -0.305 -10.035 1.00 0.00 H new ATOM 998 N SER A 61 1.756 0.308 -2.509 1.00 0.00 N ATOM 999 CA SER A 61 2.156 -0.787 -1.632 1.00 0.00 C ATOM 1000 C SER A 61 1.037 -1.133 -0.654 1.00 0.00 C ATOM 1001 O SER A 61 0.820 -2.302 -0.334 1.00 0.00 O ATOM 1002 CB SER A 61 3.413 -0.399 -0.853 1.00 0.00 C ATOM 1003 OG SER A 61 4.337 0.227 -1.733 1.00 0.00 O ATOM 0 H SER A 61 2.232 1.192 -2.330 1.00 0.00 H new ATOM 0 HA SER A 61 2.364 -1.661 -2.249 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.155 0.277 -0.037 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.864 -1.284 -0.403 1.00 0.00 H new ATOM 0 HG SER A 61 4.186 1.195 -1.731 1.00 0.00 H new ATOM 1009 N PHE A 62 0.331 -0.111 -0.181 1.00 0.00 N ATOM 1010 CA PHE A 62 -0.761 -0.323 0.762 1.00 0.00 C ATOM 1011 C PHE A 62 -1.843 -1.205 0.145 1.00 0.00 C ATOM 1012 O PHE A 62 -2.391 -2.085 0.809 1.00 0.00 O ATOM 1013 CB PHE A 62 -1.367 1.024 1.170 1.00 0.00 C ATOM 1014 CG PHE A 62 -1.068 1.296 2.626 1.00 0.00 C ATOM 1015 CD1 PHE A 62 0.170 1.832 2.999 1.00 0.00 C ATOM 1016 CD2 PHE A 62 -2.031 1.013 3.603 1.00 0.00 C ATOM 1017 CE1 PHE A 62 0.447 2.084 4.348 1.00 0.00 C ATOM 1018 CE2 PHE A 62 -1.754 1.265 4.952 1.00 0.00 C ATOM 1019 CZ PHE A 62 -0.515 1.800 5.324 1.00 0.00 C ATOM 0 H PHE A 62 0.493 0.864 -0.432 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.362 -0.825 1.643 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.957 1.821 0.549 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.444 1.014 1.006 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.912 2.051 2.246 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.987 0.601 3.316 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.403 2.497 4.635 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.496 1.047 5.706 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.301 1.994 6.365 1.00 0.00 H new ATOM 1029 N ILE A 63 -2.146 -0.965 -1.126 1.00 0.00 N ATOM 1030 CA ILE A 63 -3.163 -1.748 -1.818 1.00 0.00 C ATOM 1031 C ILE A 63 -2.739 -3.209 -1.910 1.00 0.00 C ATOM 1032 O ILE A 63 -3.513 -4.112 -1.591 1.00 0.00 O ATOM 1033 CB ILE A 63 -3.388 -1.191 -3.224 1.00 0.00 C ATOM 1034 CG1 ILE A 63 -3.963 0.224 -3.126 1.00 0.00 C ATOM 1035 CG2 ILE A 63 -4.371 -2.088 -3.979 1.00 0.00 C ATOM 1036 CD1 ILE A 63 -3.781 0.942 -4.464 1.00 0.00 C ATOM 0 H ILE A 63 -1.706 -0.241 -1.694 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.092 -1.684 -1.251 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.438 -1.163 -3.758 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.020 0.181 -2.865 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.461 0.778 -2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.531 -1.690 -4.981 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.963 -3.096 -4.050 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.321 -2.118 -3.445 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.190 1.950 -4.395 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.720 0.997 -4.706 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.303 0.391 -5.246 1.00 0.00 H new ATOM 1048 N ILE A 64 -1.505 -3.435 -2.348 1.00 0.00 N ATOM 1049 CA ILE A 64 -0.987 -4.792 -2.476 1.00 0.00 C ATOM 1050 C ILE A 64 -1.058 -5.518 -1.138 1.00 0.00 C ATOM 1051 O ILE A 64 -1.434 -6.687 -1.077 1.00 0.00 O ATOM 1052 CB ILE A 64 0.461 -4.755 -2.964 1.00 0.00 C ATOM 1053 CG1 ILE A 64 0.499 -4.240 -4.404 1.00 0.00 C ATOM 1054 CG2 ILE A 64 1.054 -6.165 -2.913 1.00 0.00 C ATOM 1055 CD1 ILE A 64 1.934 -4.293 -4.930 1.00 0.00 C ATOM 0 H ILE A 64 -0.849 -2.702 -2.619 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.599 -5.329 -3.201 1.00 0.00 H new ATOM 0 HB ILE A 64 1.043 -4.093 -2.323 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.153 -4.845 -5.035 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.123 -3.218 -4.445 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.087 -6.138 -3.261 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.026 -6.535 -1.888 1.00 0.00 H new ATOM 0 HG23 ILE A 64 0.472 -6.828 -3.554 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.959 -3.926 -5.956 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.574 -3.669 -4.306 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.293 -5.322 -4.904 1.00 0.00 H new ATOM 1067 N VAL A 65 -0.695 -4.818 -0.069 1.00 0.00 N ATOM 1068 CA VAL A 65 -0.723 -5.407 1.266 1.00 0.00 C ATOM 1069 C VAL A 65 -2.161 -5.600 1.738 1.00 0.00 C ATOM 1070 O VAL A 65 -2.477 -6.577 2.417 1.00 0.00 O ATOM 1071 CB VAL A 65 0.019 -4.502 2.251 1.00 0.00 C ATOM 1072 CG1 VAL A 65 -0.417 -4.837 3.679 1.00 0.00 C ATOM 1073 CG2 VAL A 65 1.526 -4.725 2.115 1.00 0.00 C ATOM 0 H VAL A 65 -0.380 -3.848 -0.099 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.232 -6.379 1.223 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.216 -3.460 2.033 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.111 -4.192 4.381 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.491 -4.678 3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.183 -5.879 3.896 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.054 -4.080 2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.761 -5.767 2.333 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.839 -4.487 1.098 1.00 0.00 H new ATOM 1083 N ALA A 66 -3.026 -4.658 1.377 1.00 0.00 N ATOM 1084 CA ALA A 66 -4.428 -4.726 1.772 1.00 0.00 C ATOM 1085 C ALA A 66 -5.060 -6.040 1.323 1.00 0.00 C ATOM 1086 O ALA A 66 -5.720 -6.722 2.108 1.00 0.00 O ATOM 1087 CB ALA A 66 -5.197 -3.553 1.161 1.00 0.00 C ATOM 0 H ALA A 66 -2.783 -3.843 0.815 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.478 -4.672 2.859 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.244 -3.609 1.460 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.769 -2.614 1.513 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.127 -3.599 0.074 1.00 0.00 H new ATOM 1093 N ILE A 67 -4.863 -6.387 0.055 1.00 0.00 N ATOM 1094 CA ILE A 67 -5.429 -7.619 -0.484 1.00 0.00 C ATOM 1095 C ILE A 67 -4.637 -8.838 -0.018 1.00 0.00 C ATOM 1096 O ILE A 67 -5.206 -9.905 0.207 1.00 0.00 O ATOM 1097 CB ILE A 67 -5.444 -7.566 -2.014 1.00 0.00 C ATOM 1098 CG1 ILE A 67 -4.061 -7.160 -2.528 1.00 0.00 C ATOM 1099 CG2 ILE A 67 -6.479 -6.540 -2.477 1.00 0.00 C ATOM 1100 CD1 ILE A 67 -3.280 -8.410 -2.939 1.00 0.00 C ATOM 0 H ILE A 67 -4.321 -5.839 -0.613 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.450 -7.711 -0.114 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.702 -8.549 -2.407 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.161 -6.485 -3.378 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.518 -6.618 -1.753 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.491 -6.501 -3.566 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -7.465 -6.829 -2.113 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.220 -5.558 -2.082 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.295 -8.120 -3.305 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.167 -9.068 -2.078 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.820 -8.934 -3.728 1.00 0.00 H new ATOM 1112 N LEU A 68 -3.324 -8.679 0.122 1.00 0.00 N ATOM 1113 CA LEU A 68 -2.477 -9.787 0.560 1.00 0.00 C ATOM 1114 C LEU A 68 -2.964 -10.338 1.898 1.00 0.00 C ATOM 1115 O LEU A 68 -3.083 -11.550 2.075 1.00 0.00 O ATOM 1116 CB LEU A 68 -1.025 -9.317 0.701 1.00 0.00 C ATOM 1117 CG LEU A 68 -0.066 -10.447 0.310 1.00 0.00 C ATOM 1118 CD1 LEU A 68 0.503 -10.172 -1.083 1.00 0.00 C ATOM 1119 CD2 LEU A 68 1.080 -10.509 1.322 1.00 0.00 C ATOM 0 H LEU A 68 -2.827 -7.807 -0.058 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.532 -10.576 -0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.853 -8.447 0.067 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.833 -9.006 1.728 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.602 -11.396 0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.185 -10.975 -1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.312 -10.120 -1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.042 -9.224 -1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.765 -11.312 1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.616 -9.560 1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.677 -10.700 2.317 1.00 0.00 H new ATOM 1131 N VAL A 69 -3.242 -9.437 2.835 1.00 0.00 N ATOM 1132 CA VAL A 69 -3.714 -9.840 4.157 1.00 0.00 C ATOM 1133 C VAL A 69 -5.163 -10.312 4.091 1.00 0.00 C ATOM 1134 O VAL A 69 -5.545 -11.272 4.758 1.00 0.00 O ATOM 1135 CB VAL A 69 -3.602 -8.667 5.131 1.00 0.00 C ATOM 1136 CG1 VAL A 69 -2.144 -8.214 5.221 1.00 0.00 C ATOM 1137 CG2 VAL A 69 -4.466 -7.507 4.632 1.00 0.00 C ATOM 0 H VAL A 69 -3.150 -8.429 2.706 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.092 -10.664 4.507 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.946 -8.980 6.117 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.065 -7.378 5.916 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.528 -9.040 5.576 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.799 -7.901 4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.387 -6.670 5.326 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.122 -7.195 3.646 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.506 -7.829 4.568 1.00 0.00 H new ATOM 1147 N SER A 70 -5.962 -9.629 3.280 1.00 0.00 N ATOM 1148 CA SER A 70 -7.369 -9.981 3.127 1.00 0.00 C ATOM 1149 C SER A 70 -7.493 -11.325 2.428 1.00 0.00 C ATOM 1150 O SER A 70 -8.308 -12.167 2.807 1.00 0.00 O ATOM 1151 CB SER A 70 -8.090 -8.907 2.310 1.00 0.00 C ATOM 1152 OG SER A 70 -9.459 -8.865 2.691 1.00 0.00 O ATOM 0 H SER A 70 -5.662 -8.831 2.720 1.00 0.00 H new ATOM 0 HA SER A 70 -7.826 -10.047 4.114 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.625 -7.935 2.475 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.004 -9.125 1.245 1.00 0.00 H new ATOM 0 HG SER A 70 -9.923 -8.176 2.170 1.00 0.00 H new ATOM 1158 N THR A 71 -6.665 -11.521 1.411 1.00 0.00 N ATOM 1159 CA THR A 71 -6.665 -12.767 0.663 1.00 0.00 C ATOM 1160 C THR A 71 -6.020 -13.866 1.495 1.00 0.00 C ATOM 1161 O THR A 71 -6.373 -15.040 1.379 1.00 0.00 O ATOM 1162 CB THR A 71 -5.895 -12.595 -0.649 1.00 0.00 C ATOM 1163 OG1 THR A 71 -4.647 -11.968 -0.385 1.00 0.00 O ATOM 1164 CG2 THR A 71 -6.708 -11.729 -1.612 1.00 0.00 C ATOM 0 H THR A 71 -5.986 -10.833 1.087 1.00 0.00 H new ATOM 0 HA THR A 71 -7.695 -13.042 0.436 1.00 0.00 H new ATOM 0 HB THR A 71 -5.724 -13.572 -1.100 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.783 -11.004 -0.270 1.00 0.00 H new ATOM 0 HG21 THR A 71 -6.158 -11.608 -2.545 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.665 -12.210 -1.815 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.882 -10.751 -1.164 1.00 0.00 H new ATOM 1172 N VAL A 72 -5.069 -13.472 2.337 1.00 0.00 N ATOM 1173 CA VAL A 72 -4.375 -14.430 3.191 1.00 0.00 C ATOM 1174 C VAL A 72 -5.279 -14.869 4.335 1.00 0.00 C ATOM 1175 O VAL A 72 -5.444 -16.062 4.589 1.00 0.00 O ATOM 1176 CB VAL A 72 -3.101 -13.804 3.756 1.00 0.00 C ATOM 1177 CG1 VAL A 72 -2.684 -14.551 5.025 1.00 0.00 C ATOM 1178 CG2 VAL A 72 -1.982 -13.900 2.717 1.00 0.00 C ATOM 0 H VAL A 72 -4.763 -12.505 2.446 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.111 -15.301 2.591 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.286 -12.757 3.996 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.775 -14.104 5.428 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.481 -14.483 5.766 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.499 -15.598 4.786 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.073 -13.454 3.119 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.797 -14.947 2.477 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.278 -13.368 1.813 1.00 0.00 H new ATOM 1188 N LYS A 73 -5.871 -13.894 5.015 1.00 0.00 N ATOM 1189 CA LYS A 73 -6.767 -14.186 6.124 1.00 0.00 C ATOM 1190 C LYS A 73 -8.021 -14.879 5.608 1.00 0.00 C ATOM 1191 O LYS A 73 -8.641 -15.675 6.313 1.00 0.00 O ATOM 1192 CB LYS A 73 -7.152 -12.892 6.845 1.00 0.00 C ATOM 1193 CG LYS A 73 -7.141 -13.125 8.358 1.00 0.00 C ATOM 1194 CD LYS A 73 -7.461 -11.815 9.081 1.00 0.00 C ATOM 1195 CE LYS A 73 -7.978 -12.123 10.488 1.00 0.00 C ATOM 1196 NZ LYS A 73 -7.196 -13.253 11.066 1.00 0.00 N ATOM 0 H LYS A 73 -5.747 -12.901 4.819 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.255 -14.845 6.826 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.454 -12.097 6.584 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.141 -12.565 6.524 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.873 -13.887 8.624 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.166 -13.497 8.672 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -6.569 -11.191 9.138 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.209 -11.252 8.522 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.887 -11.241 11.122 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.037 -12.380 10.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.266 -13.229 12.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.577 -14.155 10.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.199 -13.165 10.784 1.00 0.00 H new ATOM 1210 N SER A 74 -8.387 -14.567 4.367 1.00 0.00 N ATOM 1211 CA SER A 74 -9.571 -15.163 3.757 1.00 0.00 C ATOM 1212 C SER A 74 -9.490 -16.686 3.805 1.00 0.00 C ATOM 1213 O SER A 74 -10.510 -17.368 3.901 1.00 0.00 O ATOM 1214 CB SER A 74 -9.697 -14.703 2.305 1.00 0.00 C ATOM 1215 OG SER A 74 -10.328 -15.723 1.542 1.00 0.00 O ATOM 0 H SER A 74 -7.885 -13.911 3.769 1.00 0.00 H new ATOM 0 HA SER A 74 -10.448 -14.839 4.318 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.277 -13.782 2.252 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.712 -14.483 1.894 1.00 0.00 H new ATOM 0 HG SER A 74 -10.412 -15.430 0.610 1.00 0.00 H new ATOM 1221 N LYS A 75 -8.272 -17.211 3.738 1.00 0.00 N ATOM 1222 CA LYS A 75 -8.070 -18.655 3.773 1.00 0.00 C ATOM 1223 C LYS A 75 -8.275 -19.191 5.187 1.00 0.00 C ATOM 1224 O LYS A 75 -8.280 -20.402 5.407 1.00 0.00 O ATOM 1225 CB LYS A 75 -6.658 -18.994 3.294 1.00 0.00 C ATOM 1226 CG LYS A 75 -6.701 -19.389 1.816 1.00 0.00 C ATOM 1227 CD LYS A 75 -5.313 -19.859 1.369 1.00 0.00 C ATOM 1228 CE LYS A 75 -4.770 -18.914 0.294 1.00 0.00 C ATOM 1229 NZ LYS A 75 -5.387 -19.250 -1.020 1.00 0.00 N ATOM 0 H LYS A 75 -7.415 -16.663 3.660 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.800 -19.123 3.112 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.000 -18.136 3.433 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.247 -19.811 3.888 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.432 -20.183 1.663 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.021 -18.540 1.211 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.635 -19.883 2.222 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.371 -20.875 0.978 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.991 -17.880 0.558 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.685 -19.002 0.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.018 -18.608 -1.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.154 -20.232 -1.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.420 -19.145 -0.956 1.00 0.00 H new ATOM 1243 N ARG A 76 -8.445 -18.282 6.141 1.00 0.00 N ATOM 1244 CA ARG A 76 -8.650 -18.675 7.531 1.00 0.00 C ATOM 1245 C ARG A 76 -10.062 -19.217 7.731 1.00 0.00 C ATOM 1246 O ARG A 76 -10.256 -20.255 8.363 1.00 0.00 O ATOM 1247 CB ARG A 76 -8.428 -17.473 8.451 1.00 0.00 C ATOM 1248 CG ARG A 76 -8.507 -17.925 9.912 1.00 0.00 C ATOM 1249 CD ARG A 76 -7.220 -18.658 10.295 1.00 0.00 C ATOM 1250 NE ARG A 76 -6.981 -18.540 11.729 1.00 0.00 N ATOM 1251 CZ ARG A 76 -5.748 -18.460 12.217 1.00 0.00 C ATOM 1252 NH1 ARG A 76 -4.723 -18.496 11.409 1.00 0.00 N ATOM 1253 NH2 ARG A 76 -5.561 -18.349 13.504 1.00 0.00 N ATOM 0 H ARG A 76 -8.445 -17.275 5.980 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.934 -19.459 7.778 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -7.456 -17.023 8.251 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.179 -16.708 8.255 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.653 -17.062 10.562 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.366 -18.580 10.054 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -7.295 -19.709 10.017 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.377 -18.241 9.743 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.775 -18.519 12.369 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.869 -18.585 10.403 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.776 -18.435 11.783 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.362 -18.324 14.135 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.614 -18.288 13.878 1.00 0.00 H new ATOM 1267 N ARG A 77 -11.045 -18.507 7.186 1.00 0.00 N ATOM 1268 CA ARG A 77 -12.438 -18.924 7.309 1.00 0.00 C ATOM 1269 C ARG A 77 -12.691 -19.568 8.668 1.00 0.00 C ATOM 1270 O ARG A 77 -12.852 -20.784 8.769 1.00 0.00 O ATOM 1271 CB ARG A 77 -12.785 -19.919 6.201 1.00 0.00 C ATOM 1272 CG ARG A 77 -12.276 -19.388 4.859 1.00 0.00 C ATOM 1273 CD ARG A 77 -12.623 -20.383 3.749 1.00 0.00 C ATOM 1274 NE ARG A 77 -13.348 -19.709 2.678 1.00 0.00 N ATOM 1275 CZ ARG A 77 -13.437 -20.245 1.465 1.00 0.00 C ATOM 1276 NH1 ARG A 77 -12.872 -21.394 1.217 1.00 0.00 N ATOM 1277 NH2 ARG A 77 -14.091 -19.622 0.524 1.00 0.00 N ATOM 0 H ARG A 77 -10.905 -17.646 6.658 1.00 0.00 H new ATOM 0 HA ARG A 77 -13.069 -18.040 7.217 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -12.335 -20.889 6.415 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -13.864 -20.070 6.159 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -12.726 -18.418 4.646 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -11.197 -19.237 4.902 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -11.711 -20.832 3.355 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -13.228 -21.194 4.154 1.00 0.00 H new ATOM 0 HE ARG A 77 -13.794 -18.811 2.863 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -12.362 -21.881 1.954 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -12.940 -21.806 0.286 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -14.534 -18.724 0.719 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -14.160 -20.033 -0.407 1.00 0.00 H new ATOM 1291 N GLU A 78 -12.727 -18.745 9.710 1.00 0.00 N ATOM 1292 CA GLU A 78 -12.965 -19.247 11.058 1.00 0.00 C ATOM 1293 C GLU A 78 -14.417 -19.014 11.463 1.00 0.00 C ATOM 1294 O GLU A 78 -15.012 -17.995 11.114 1.00 0.00 O ATOM 1295 CB GLU A 78 -12.037 -18.543 12.049 1.00 0.00 C ATOM 1296 CG GLU A 78 -10.885 -19.478 12.421 1.00 0.00 C ATOM 1297 CD GLU A 78 -11.370 -20.536 13.406 1.00 0.00 C ATOM 1298 OE1 GLU A 78 -11.908 -21.534 12.955 1.00 0.00 O ATOM 1299 OE2 GLU A 78 -11.196 -20.333 14.596 1.00 0.00 O ATOM 0 H GLU A 78 -12.596 -17.735 9.649 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.762 -20.318 11.070 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -11.647 -17.625 11.609 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.591 -18.258 12.943 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.491 -19.957 11.525 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -10.069 -18.906 12.862 1.00 0.00 H new ATOM 1306 N HIS A 79 -14.982 -19.965 12.199 1.00 0.00 N ATOM 1307 CA HIS A 79 -16.367 -19.849 12.642 1.00 0.00 C ATOM 1308 C HIS A 79 -16.570 -20.565 13.973 1.00 0.00 C ATOM 1309 O HIS A 79 -17.178 -21.633 14.030 1.00 0.00 O ATOM 1310 CB HIS A 79 -17.304 -20.446 11.589 1.00 0.00 C ATOM 1311 CG HIS A 79 -18.022 -19.338 10.867 1.00 0.00 C ATOM 1312 ND1 HIS A 79 -17.656 -18.923 9.596 1.00 0.00 N ATOM 1313 CD2 HIS A 79 -19.087 -18.549 11.227 1.00 0.00 C ATOM 1314 CE1 HIS A 79 -18.486 -17.926 9.240 1.00 0.00 C ATOM 1315 NE2 HIS A 79 -19.377 -17.658 10.198 1.00 0.00 N ATOM 0 H HIS A 79 -14.508 -20.817 12.499 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.597 -18.792 12.776 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -16.735 -21.047 10.880 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -18.025 -21.111 12.064 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -19.618 -18.611 12.165 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -18.438 -17.406 8.295 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -20.113 -16.952 10.179 1.00 0.00 H new ATOM 1324 N SER A 80 -16.059 -19.964 15.043 1.00 0.00 N ATOM 1325 CA SER A 80 -16.192 -20.546 16.372 1.00 0.00 C ATOM 1326 C SER A 80 -16.923 -19.583 17.301 1.00 0.00 C ATOM 1327 O SER A 80 -17.455 -18.565 16.858 1.00 0.00 O ATOM 1328 CB SER A 80 -14.811 -20.862 16.947 1.00 0.00 C ATOM 1329 OG SER A 80 -14.556 -20.007 18.053 1.00 0.00 O ATOM 0 H SER A 80 -15.552 -19.079 15.016 1.00 0.00 H new ATOM 0 HA SER A 80 -16.768 -21.468 16.290 1.00 0.00 H new ATOM 0 HB2 SER A 80 -14.765 -21.905 17.261 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.046 -20.725 16.183 1.00 0.00 H new ATOM 0 HG SER A 80 -13.672 -20.208 18.425 1.00 0.00 H new ATOM 1335 N ASN A 81 -16.947 -19.908 18.588 1.00 0.00 N ATOM 1336 CA ASN A 81 -17.618 -19.060 19.565 1.00 0.00 C ATOM 1337 C ASN A 81 -16.710 -18.795 20.762 1.00 0.00 C ATOM 1338 O ASN A 81 -16.209 -19.726 21.392 1.00 0.00 O ATOM 1339 CB ASN A 81 -18.910 -19.729 20.039 1.00 0.00 C ATOM 1340 CG ASN A 81 -20.088 -19.237 19.204 1.00 0.00 C ATOM 1341 OD1 ASN A 81 -20.421 -18.052 19.235 1.00 0.00 O ATOM 1342 ND2 ASN A 81 -20.743 -20.081 18.454 1.00 0.00 N ATOM 0 H ASN A 81 -16.513 -20.745 18.977 1.00 0.00 H new ATOM 0 HA ASN A 81 -17.856 -18.109 19.088 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -18.821 -20.812 19.955 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -19.081 -19.504 21.092 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -21.532 -19.759 17.893 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -20.466 -21.062 18.429 1.00 0.00 H new ATOM 1349 N ASP A 82 -16.504 -17.518 21.069 1.00 0.00 N ATOM 1350 CA ASP A 82 -15.657 -17.139 22.195 1.00 0.00 C ATOM 1351 C ASP A 82 -16.394 -16.164 23.111 1.00 0.00 C ATOM 1352 O ASP A 82 -17.156 -15.318 22.643 1.00 0.00 O ATOM 1353 CB ASP A 82 -14.371 -16.487 21.684 1.00 0.00 C ATOM 1354 CG ASP A 82 -14.674 -15.620 20.467 1.00 0.00 C ATOM 1355 OD1 ASP A 82 -15.757 -15.059 20.420 1.00 0.00 O ATOM 1356 OD2 ASP A 82 -13.820 -15.529 19.601 1.00 0.00 O ATOM 0 H ASP A 82 -16.909 -16.733 20.558 1.00 0.00 H new ATOM 0 HA ASP A 82 -15.409 -18.038 22.760 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -13.924 -15.880 22.471 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -13.643 -17.255 21.422 1.00 0.00 H new ATOM 1361 N PRO A 83 -16.181 -16.265 24.397 1.00 0.00 N ATOM 1362 CA PRO A 83 -16.840 -15.370 25.392 1.00 0.00 C ATOM 1363 C PRO A 83 -16.255 -13.959 25.375 1.00 0.00 C ATOM 1364 O PRO A 83 -15.037 -13.783 25.395 1.00 0.00 O ATOM 1365 CB PRO A 83 -16.568 -16.058 26.731 1.00 0.00 C ATOM 1366 CG PRO A 83 -15.318 -16.845 26.523 1.00 0.00 C ATOM 1367 CD PRO A 83 -15.290 -17.242 25.046 1.00 0.00 C ATOM 0 HA PRO A 83 -17.901 -15.237 25.183 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -16.444 -15.327 27.530 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -17.397 -16.705 27.016 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -14.440 -16.253 26.781 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -15.306 -17.728 27.162 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -14.280 -17.193 24.639 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -15.643 -18.263 24.900 1.00 0.00 H new ATOM 1375 N TYR A 84 -17.131 -12.960 25.337 1.00 0.00 N ATOM 1376 CA TYR A 84 -16.688 -11.569 25.319 1.00 0.00 C ATOM 1377 C TYR A 84 -16.843 -10.941 26.701 1.00 0.00 C ATOM 1378 O TYR A 84 -17.771 -11.272 27.440 1.00 0.00 O ATOM 1379 CB TYR A 84 -17.506 -10.774 24.299 1.00 0.00 C ATOM 1380 CG TYR A 84 -18.125 -11.720 23.299 1.00 0.00 C ATOM 1381 CD1 TYR A 84 -19.284 -12.432 23.633 1.00 0.00 C ATOM 1382 CD2 TYR A 84 -17.541 -11.887 22.038 1.00 0.00 C ATOM 1383 CE1 TYR A 84 -19.859 -13.309 22.706 1.00 0.00 C ATOM 1384 CE2 TYR A 84 -18.116 -12.765 21.111 1.00 0.00 C ATOM 1385 CZ TYR A 84 -19.274 -13.476 21.445 1.00 0.00 C ATOM 1386 OH TYR A 84 -19.840 -14.341 20.531 1.00 0.00 O ATOM 0 H TYR A 84 -18.143 -13.085 25.318 1.00 0.00 H new ATOM 0 HA TYR A 84 -15.635 -11.545 25.037 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -18.285 -10.205 24.807 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -16.867 -10.054 23.787 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -19.734 -12.304 24.606 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -16.647 -11.339 21.780 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -20.754 -13.857 22.963 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -17.666 -12.893 20.138 1.00 0.00 H new ATOM 0 HH TYR A 84 -19.310 -14.338 19.706 1.00 0.00 H new ATOM 1396 N HIS A 85 -15.928 -10.038 27.044 1.00 0.00 N ATOM 1397 CA HIS A 85 -15.970 -9.371 28.342 1.00 0.00 C ATOM 1398 C HIS A 85 -17.398 -9.328 28.881 1.00 0.00 C ATOM 1399 O HIS A 85 -18.112 -8.342 28.699 1.00 0.00 O ATOM 1400 CB HIS A 85 -15.427 -7.946 28.218 1.00 0.00 C ATOM 1401 CG HIS A 85 -13.942 -7.949 28.460 1.00 0.00 C ATOM 1402 ND1 HIS A 85 -13.145 -9.042 28.157 1.00 0.00 N ATOM 1403 CD2 HIS A 85 -13.095 -6.999 28.974 1.00 0.00 C ATOM 1404 CE1 HIS A 85 -11.880 -8.725 28.489 1.00 0.00 C ATOM 1405 NE2 HIS A 85 -11.794 -7.490 28.991 1.00 0.00 N ATOM 0 H HIS A 85 -15.153 -9.753 26.445 1.00 0.00 H new ATOM 0 HA HIS A 85 -15.349 -9.937 29.037 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -15.643 -7.549 27.226 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -15.922 -7.294 28.938 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -13.394 -6.018 29.314 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -11.037 -9.388 28.365 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -10.955 -7.010 29.317 1.00 0.00 H new ATOM 1414 N GLN A 86 -17.804 -10.405 29.546 1.00 0.00 N ATOM 1415 CA GLN A 86 -19.147 -10.485 30.112 1.00 0.00 C ATOM 1416 C GLN A 86 -19.326 -9.444 31.213 1.00 0.00 C ATOM 1417 O GLN A 86 -20.449 -9.100 31.581 1.00 0.00 O ATOM 1418 CB GLN A 86 -19.383 -11.882 30.690 1.00 0.00 C ATOM 1419 CG GLN A 86 -18.339 -12.169 31.771 1.00 0.00 C ATOM 1420 CD GLN A 86 -18.315 -13.659 32.096 1.00 0.00 C ATOM 1421 OE1 GLN A 86 -19.308 -14.417 31.719 1.00 0.00 O flip ATOM 1422 NE2 GLN A 86 -17.366 -14.146 32.710 1.00 0.00 N flip ATOM 0 H GLN A 86 -17.226 -11.230 29.706 1.00 0.00 H new ATOM 0 HA GLN A 86 -19.869 -10.289 29.320 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -20.386 -11.948 31.111 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -19.319 -12.630 29.900 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -17.355 -11.847 31.431 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -18.568 -11.597 32.670 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -16.590 -13.553 33.004 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -17.355 -15.143 32.925 1.00 0.00 H new ATOM 1431 N TYR A 87 -18.210 -8.954 31.738 1.00 0.00 N ATOM 1432 CA TYR A 87 -18.244 -7.959 32.804 1.00 0.00 C ATOM 1433 C TYR A 87 -18.597 -6.578 32.254 1.00 0.00 C ATOM 1434 O TYR A 87 -18.567 -5.586 32.981 1.00 0.00 O ATOM 1435 CB TYR A 87 -16.881 -7.904 33.497 1.00 0.00 C ATOM 1436 CG TYR A 87 -16.205 -9.248 33.371 1.00 0.00 C ATOM 1437 CD1 TYR A 87 -15.543 -9.591 32.186 1.00 0.00 C ATOM 1438 CD2 TYR A 87 -16.245 -10.155 34.437 1.00 0.00 C ATOM 1439 CE1 TYR A 87 -14.921 -10.840 32.066 1.00 0.00 C ATOM 1440 CE2 TYR A 87 -15.622 -11.403 34.318 1.00 0.00 C ATOM 1441 CZ TYR A 87 -14.960 -11.746 33.133 1.00 0.00 C ATOM 1442 OH TYR A 87 -14.348 -12.977 33.015 1.00 0.00 O ATOM 0 H TYR A 87 -17.272 -9.228 31.445 1.00 0.00 H new ATOM 0 HA TYR A 87 -19.012 -8.249 33.521 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -16.262 -7.128 33.046 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -17.004 -7.643 34.548 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -15.512 -8.892 31.364 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -16.756 -9.892 35.351 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -14.412 -11.104 31.151 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -15.652 -12.102 35.141 1.00 0.00 H new ATOM 0 HH TYR A 87 -14.468 -13.483 33.846 1.00 0.00 H new ATOM 1452 N ILE A 88 -18.928 -6.521 30.967 1.00 0.00 N ATOM 1453 CA ILE A 88 -19.280 -5.254 30.332 1.00 0.00 C ATOM 1454 C ILE A 88 -20.428 -4.568 31.070 1.00 0.00 C ATOM 1455 O ILE A 88 -20.634 -3.363 30.928 1.00 0.00 O ATOM 1456 CB ILE A 88 -19.687 -5.493 28.877 1.00 0.00 C ATOM 1457 CG1 ILE A 88 -20.634 -6.695 28.801 1.00 0.00 C ATOM 1458 CG2 ILE A 88 -18.440 -5.771 28.037 1.00 0.00 C ATOM 1459 CD1 ILE A 88 -21.898 -6.301 28.035 1.00 0.00 C ATOM 0 H ILE A 88 -18.960 -7.330 30.347 1.00 0.00 H new ATOM 0 HA ILE A 88 -18.404 -4.606 30.369 1.00 0.00 H new ATOM 0 HB ILE A 88 -20.193 -4.608 28.492 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -20.140 -7.530 28.304 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -20.894 -7.031 29.805 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -18.730 -5.941 27.000 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -17.768 -4.915 28.090 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -17.932 -6.655 28.422 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -22.572 -7.156 27.981 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -22.395 -5.479 28.551 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -21.629 -5.986 27.027 1.00 0.00 H new ATOM 1471 N VAL A 89 -21.180 -5.341 31.847 1.00 0.00 N ATOM 1472 CA VAL A 89 -22.312 -4.791 32.588 1.00 0.00 C ATOM 1473 C VAL A 89 -21.850 -4.083 33.860 1.00 0.00 C ATOM 1474 O VAL A 89 -22.430 -3.075 34.263 1.00 0.00 O ATOM 1475 CB VAL A 89 -23.290 -5.910 32.953 1.00 0.00 C ATOM 1476 CG1 VAL A 89 -22.556 -6.998 33.740 1.00 0.00 C ATOM 1477 CG2 VAL A 89 -24.423 -5.337 33.809 1.00 0.00 C ATOM 0 H VAL A 89 -21.029 -6.341 31.980 1.00 0.00 H new ATOM 0 HA VAL A 89 -22.809 -4.061 31.949 1.00 0.00 H new ATOM 0 HB VAL A 89 -23.704 -6.341 32.041 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -23.254 -7.794 33.999 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -21.750 -7.407 33.131 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -22.140 -6.570 34.652 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -25.120 -6.133 34.070 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -24.008 -4.905 34.720 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -24.948 -4.564 33.248 1.00 0.00 H new ATOM 1487 N GLU A 90 -20.810 -4.616 34.492 1.00 0.00 N ATOM 1488 CA GLU A 90 -20.292 -4.023 35.721 1.00 0.00 C ATOM 1489 C GLU A 90 -19.502 -2.752 35.423 1.00 0.00 C ATOM 1490 O GLU A 90 -19.616 -1.758 36.140 1.00 0.00 O ATOM 1491 CB GLU A 90 -19.392 -5.026 36.446 1.00 0.00 C ATOM 1492 CG GLU A 90 -18.779 -4.361 37.679 1.00 0.00 C ATOM 1493 CD GLU A 90 -17.308 -4.048 37.426 1.00 0.00 C ATOM 1494 OE1 GLU A 90 -16.489 -4.922 37.655 1.00 0.00 O ATOM 1495 OE2 GLU A 90 -17.023 -2.938 37.007 1.00 0.00 O ATOM 0 H GLU A 90 -20.313 -5.449 34.178 1.00 0.00 H new ATOM 0 HA GLU A 90 -21.139 -3.765 36.357 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -19.969 -5.902 36.741 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -18.604 -5.374 35.778 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -19.319 -3.444 37.914 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -18.876 -5.018 38.543 1.00 0.00 H new ATOM 1502 N ASP A 91 -18.698 -2.794 34.367 1.00 0.00 N ATOM 1503 CA ASP A 91 -17.888 -1.641 33.990 1.00 0.00 C ATOM 1504 C ASP A 91 -18.763 -0.507 33.461 1.00 0.00 C ATOM 1505 O ASP A 91 -18.378 0.661 33.515 1.00 0.00 O ATOM 1506 CB ASP A 91 -16.874 -2.046 32.919 1.00 0.00 C ATOM 1507 CG ASP A 91 -15.515 -2.305 33.560 1.00 0.00 C ATOM 1508 OD1 ASP A 91 -15.060 -1.451 34.303 1.00 0.00 O ATOM 1509 OD2 ASP A 91 -14.948 -3.353 33.298 1.00 0.00 O ATOM 0 H ASP A 91 -18.589 -3.607 33.761 1.00 0.00 H new ATOM 0 HA ASP A 91 -17.364 -1.289 34.878 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -17.218 -2.941 32.401 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -16.788 -1.258 32.171 1.00 0.00 H new ATOM 1514 N TRP A 92 -19.937 -0.856 32.947 1.00 0.00 N ATOM 1515 CA TRP A 92 -20.850 0.146 32.408 1.00 0.00 C ATOM 1516 C TRP A 92 -21.432 1.005 33.527 1.00 0.00 C ATOM 1517 O TRP A 92 -21.553 2.222 33.386 1.00 0.00 O ATOM 1518 CB TRP A 92 -21.982 -0.538 31.638 1.00 0.00 C ATOM 1519 CG TRP A 92 -21.563 -0.735 30.217 1.00 0.00 C ATOM 1520 CD1 TRP A 92 -20.288 -0.923 29.804 1.00 0.00 C ATOM 1521 CD2 TRP A 92 -22.391 -0.765 29.018 1.00 0.00 C ATOM 1522 NE1 TRP A 92 -20.281 -1.068 28.428 1.00 0.00 N ATOM 1523 CE2 TRP A 92 -21.552 -0.978 27.898 1.00 0.00 C ATOM 1524 CE3 TRP A 92 -23.773 -0.632 28.795 1.00 0.00 C ATOM 1525 CZ2 TRP A 92 -22.067 -1.055 26.603 1.00 0.00 C ATOM 1526 CZ3 TRP A 92 -24.294 -0.708 27.493 1.00 0.00 C ATOM 1527 CH2 TRP A 92 -23.442 -0.919 26.399 1.00 0.00 C ATOM 0 H TRP A 92 -20.277 -1.816 32.892 1.00 0.00 H new ATOM 0 HA TRP A 92 -20.291 0.791 31.731 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -22.220 -1.498 32.096 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -22.886 0.069 31.682 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -19.418 -0.955 30.444 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -19.439 -1.223 27.873 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -24.438 -0.470 29.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -21.407 -1.219 25.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -25.357 -0.603 27.333 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -23.849 -0.976 25.400 1.00 0.00 H new ATOM 1538 N GLN A 93 -21.785 0.367 34.637 1.00 0.00 N ATOM 1539 CA GLN A 93 -22.347 1.090 35.772 1.00 0.00 C ATOM 1540 C GLN A 93 -21.375 2.164 36.251 1.00 0.00 C ATOM 1541 O GLN A 93 -21.779 3.153 36.863 1.00 0.00 O ATOM 1542 CB GLN A 93 -22.646 0.119 36.916 1.00 0.00 C ATOM 1543 CG GLN A 93 -22.942 0.908 38.193 1.00 0.00 C ATOM 1544 CD GLN A 93 -24.029 0.206 38.999 1.00 0.00 C ATOM 1545 OE1 GLN A 93 -24.881 0.862 39.598 1.00 0.00 O ATOM 1546 NE2 GLN A 93 -24.050 -1.098 39.051 1.00 0.00 N ATOM 0 H GLN A 93 -21.693 -0.639 34.775 1.00 0.00 H new ATOM 0 HA GLN A 93 -23.274 1.568 35.454 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -23.498 -0.510 36.659 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -21.796 -0.545 37.075 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -22.036 1.000 38.792 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -23.261 1.919 37.940 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -23.343 -1.640 38.554 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -24.773 -1.575 39.589 1.00 0.00 H new ATOM 1555 N GLU A 94 -20.093 1.962 35.964 1.00 0.00 N ATOM 1556 CA GLU A 94 -19.070 2.921 36.365 1.00 0.00 C ATOM 1557 C GLU A 94 -19.117 4.148 35.464 1.00 0.00 C ATOM 1558 O GLU A 94 -19.095 5.284 35.939 1.00 0.00 O ATOM 1559 CB GLU A 94 -17.686 2.276 36.279 1.00 0.00 C ATOM 1560 CG GLU A 94 -17.383 1.536 37.583 1.00 0.00 C ATOM 1561 CD GLU A 94 -18.588 0.699 37.999 1.00 0.00 C ATOM 1562 OE1 GLU A 94 -19.501 1.260 38.581 1.00 0.00 O ATOM 1563 OE2 GLU A 94 -18.579 -0.491 37.729 1.00 0.00 O ATOM 0 H GLU A 94 -19.740 1.149 35.459 1.00 0.00 H new ATOM 0 HA GLU A 94 -19.262 3.226 37.394 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -17.648 1.583 35.439 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -16.929 3.039 36.097 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -16.512 0.894 37.453 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -17.138 2.251 38.368 1.00 0.00 H new ATOM 1570 N LYS A 95 -19.191 3.909 34.160 1.00 0.00 N ATOM 1571 CA LYS A 95 -19.250 4.997 33.195 1.00 0.00 C ATOM 1572 C LYS A 95 -20.632 5.638 33.216 1.00 0.00 C ATOM 1573 O LYS A 95 -20.794 6.804 32.856 1.00 0.00 O ATOM 1574 CB LYS A 95 -18.947 4.468 31.791 1.00 0.00 C ATOM 1575 CG LYS A 95 -19.083 5.602 30.773 1.00 0.00 C ATOM 1576 CD LYS A 95 -18.484 5.163 29.435 1.00 0.00 C ATOM 1577 CE LYS A 95 -17.193 5.941 29.172 1.00 0.00 C ATOM 1578 NZ LYS A 95 -17.514 7.383 28.977 1.00 0.00 N ATOM 0 H LYS A 95 -19.211 2.976 33.749 1.00 0.00 H new ATOM 0 HA LYS A 95 -18.505 5.746 33.463 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -17.939 4.055 31.757 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -19.632 3.658 31.541 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -20.133 5.865 30.644 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -18.573 6.494 31.136 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -18.279 4.093 29.450 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -19.197 5.339 28.630 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -16.506 5.820 30.009 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -16.691 5.546 28.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -16.827 7.806 28.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -18.472 7.475 28.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -17.468 7.876 29.892 1.00 0.00 H new ATOM 1592 N TYR A 96 -21.625 4.866 33.646 1.00 0.00 N ATOM 1593 CA TYR A 96 -22.992 5.367 33.717 1.00 0.00 C ATOM 1594 C TYR A 96 -23.070 6.560 34.665 1.00 0.00 C ATOM 1595 O TYR A 96 -23.942 7.418 34.529 1.00 0.00 O ATOM 1596 CB TYR A 96 -23.930 4.261 34.206 1.00 0.00 C ATOM 1597 CG TYR A 96 -25.182 4.251 33.361 1.00 0.00 C ATOM 1598 CD1 TYR A 96 -25.116 3.859 32.019 1.00 0.00 C ATOM 1599 CD2 TYR A 96 -26.407 4.634 33.920 1.00 0.00 C ATOM 1600 CE1 TYR A 96 -26.275 3.850 31.235 1.00 0.00 C ATOM 1601 CE2 TYR A 96 -27.567 4.624 33.136 1.00 0.00 C ATOM 1602 CZ TYR A 96 -27.500 4.232 31.793 1.00 0.00 C ATOM 1603 OH TYR A 96 -28.643 4.223 31.020 1.00 0.00 O ATOM 0 H TYR A 96 -21.510 3.899 33.948 1.00 0.00 H new ATOM 0 HA TYR A 96 -23.298 5.685 32.720 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -23.431 3.294 34.147 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -24.186 4.424 35.253 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -24.171 3.563 31.589 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -26.457 4.937 34.955 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -26.224 3.548 30.199 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -28.513 4.918 33.566 1.00 0.00 H new ATOM 0 HH TYR A 96 -29.406 4.515 31.561 1.00 0.00 H new ATOM 1613 N LYS A 97 -22.150 6.607 35.622 1.00 0.00 N ATOM 1614 CA LYS A 97 -22.119 7.700 36.586 1.00 0.00 C ATOM 1615 C LYS A 97 -21.620 8.978 35.922 1.00 0.00 C ATOM 1616 O LYS A 97 -22.037 10.080 36.280 1.00 0.00 O ATOM 1617 CB LYS A 97 -21.202 7.338 37.758 1.00 0.00 C ATOM 1618 CG LYS A 97 -21.233 8.460 38.800 1.00 0.00 C ATOM 1619 CD LYS A 97 -19.826 9.034 38.980 1.00 0.00 C ATOM 1620 CE LYS A 97 -19.866 10.176 39.997 1.00 0.00 C ATOM 1621 NZ LYS A 97 -18.484 10.683 40.227 1.00 0.00 N ATOM 0 H LYS A 97 -21.420 5.906 35.751 1.00 0.00 H new ATOM 0 HA LYS A 97 -23.131 7.865 36.957 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -21.525 6.400 38.209 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -20.183 7.186 37.402 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -21.919 9.245 38.483 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -21.605 8.077 39.750 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -19.145 8.254 39.320 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -19.445 9.396 38.025 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -20.504 10.981 39.632 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -20.298 9.827 40.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -18.510 11.460 40.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -17.888 9.913 40.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -18.088 11.031 39.330 1.00 0.00 H new ATOM 1635 N SER A 98 -20.725 8.822 34.952 1.00 0.00 N ATOM 1636 CA SER A 98 -20.173 9.969 34.239 1.00 0.00 C ATOM 1637 C SER A 98 -21.288 10.783 33.589 1.00 0.00 C ATOM 1638 O SER A 98 -21.223 12.011 33.536 1.00 0.00 O ATOM 1639 CB SER A 98 -19.193 9.495 33.165 1.00 0.00 C ATOM 1640 OG SER A 98 -18.764 8.174 33.469 1.00 0.00 O ATOM 0 H SER A 98 -20.368 7.918 34.643 1.00 0.00 H new ATOM 0 HA SER A 98 -19.648 10.600 34.956 1.00 0.00 H new ATOM 0 HB2 SER A 98 -19.670 9.518 32.185 1.00 0.00 H new ATOM 0 HB3 SER A 98 -18.335 10.166 33.117 1.00 0.00 H new ATOM 0 HG SER A 98 -19.273 7.533 32.930 1.00 0.00 H new ATOM 1646 N GLN A 99 -22.310 10.090 33.096 1.00 0.00 N ATOM 1647 CA GLN A 99 -23.435 10.758 32.450 1.00 0.00 C ATOM 1648 C GLN A 99 -24.074 11.766 33.399 1.00 0.00 C ATOM 1649 O GLN A 99 -24.336 12.909 33.021 1.00 0.00 O ATOM 1650 CB GLN A 99 -24.478 9.727 32.018 1.00 0.00 C ATOM 1651 CG GLN A 99 -23.777 8.541 31.353 1.00 0.00 C ATOM 1652 CD GLN A 99 -24.463 8.204 30.033 1.00 0.00 C ATOM 1653 OE1 GLN A 99 -25.616 8.578 29.818 1.00 0.00 O ATOM 1654 NE2 GLN A 99 -23.818 7.515 29.132 1.00 0.00 N ATOM 0 H GLN A 99 -22.383 9.073 33.131 1.00 0.00 H new ATOM 0 HA GLN A 99 -23.064 11.287 31.572 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -25.049 9.388 32.882 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -25.187 10.180 31.325 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -22.728 8.780 31.177 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -23.800 7.676 32.016 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -22.863 7.207 29.313 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -24.269 7.285 28.247 1.00 0.00 H new ATOM 1663 N ILE A 100 -24.321 11.338 34.632 1.00 0.00 N ATOM 1664 CA ILE A 100 -24.927 12.217 35.626 1.00 0.00 C ATOM 1665 C ILE A 100 -24.020 13.412 35.896 1.00 0.00 C ATOM 1666 O ILE A 100 -24.491 14.534 36.082 1.00 0.00 O ATOM 1667 CB ILE A 100 -25.170 11.451 36.927 1.00 0.00 C ATOM 1668 CG1 ILE A 100 -25.949 10.169 36.624 1.00 0.00 C ATOM 1669 CG2 ILE A 100 -25.979 12.322 37.890 1.00 0.00 C ATOM 1670 CD1 ILE A 100 -26.570 9.630 37.914 1.00 0.00 C ATOM 0 H ILE A 100 -24.113 10.397 34.965 1.00 0.00 H new ATOM 0 HA ILE A 100 -25.881 12.575 35.238 1.00 0.00 H new ATOM 0 HB ILE A 100 -24.213 11.198 37.383 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -26.729 10.370 35.889 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -25.285 9.422 36.188 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -26.152 11.775 38.817 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -25.426 13.236 38.105 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -26.936 12.576 37.434 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -27.125 8.717 37.697 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -25.781 9.413 38.634 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -27.247 10.375 38.331 1.00 0.00 H new ATOM 1682 N LEU A 101 -22.714 13.163 35.912 1.00 0.00 N ATOM 1683 CA LEU A 101 -21.745 14.224 36.155 1.00 0.00 C ATOM 1684 C LEU A 101 -21.746 15.220 35.000 1.00 0.00 C ATOM 1685 O LEU A 101 -21.682 16.431 35.212 1.00 0.00 O ATOM 1686 CB LEU A 101 -20.346 13.627 36.314 1.00 0.00 C ATOM 1687 CG LEU A 101 -19.371 14.722 36.750 1.00 0.00 C ATOM 1688 CD1 LEU A 101 -19.356 14.815 38.277 1.00 0.00 C ATOM 1689 CD2 LEU A 101 -17.966 14.384 36.247 1.00 0.00 C ATOM 0 H LEU A 101 -22.305 12.241 35.760 1.00 0.00 H new ATOM 0 HA LEU A 101 -22.023 14.744 37.072 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -20.363 12.825 37.052 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -20.018 13.187 35.373 1.00 0.00 H new ATOM 0 HG LEU A 101 -19.688 15.677 36.331 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -18.661 15.595 38.587 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -20.356 15.056 38.637 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -19.040 13.860 38.697 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -17.271 15.164 36.557 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -17.650 13.429 36.666 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -17.975 14.318 35.159 1.00 0.00 H new ATOM 1701 N ASN A 102 -21.820 14.701 33.779 1.00 0.00 N ATOM 1702 CA ASN A 102 -21.831 15.556 32.598 1.00 0.00 C ATOM 1703 C ASN A 102 -23.045 16.478 32.624 1.00 0.00 C ATOM 1704 O ASN A 102 -22.961 17.644 32.238 1.00 0.00 O ATOM 1705 CB ASN A 102 -21.865 14.698 31.332 1.00 0.00 C ATOM 1706 CG ASN A 102 -22.371 15.526 30.157 1.00 0.00 C ATOM 1707 OD1 ASN A 102 -23.421 15.223 29.589 1.00 0.00 O ATOM 1708 ND2 ASN A 102 -21.684 16.560 29.756 1.00 0.00 N ATOM 0 H ASN A 102 -21.873 13.702 33.582 1.00 0.00 H new ATOM 0 HA ASN A 102 -20.925 16.162 32.599 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -20.868 14.315 31.115 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -22.512 13.834 31.485 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -22.016 17.120 28.970 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -20.815 16.809 30.228 1.00 0.00 H new ATOM 1715 N LEU A 103 -24.172 15.946 33.084 1.00 0.00 N ATOM 1716 CA LEU A 103 -25.399 16.727 33.162 1.00 0.00 C ATOM 1717 C LEU A 103 -25.182 17.977 34.008 1.00 0.00 C ATOM 1718 O LEU A 103 -25.647 19.062 33.661 1.00 0.00 O ATOM 1719 CB LEU A 103 -26.517 15.881 33.776 1.00 0.00 C ATOM 1720 CG LEU A 103 -27.861 16.290 33.170 1.00 0.00 C ATOM 1721 CD1 LEU A 103 -27.950 15.786 31.727 1.00 0.00 C ATOM 1722 CD2 LEU A 103 -28.997 15.678 33.994 1.00 0.00 C ATOM 0 H LEU A 103 -24.261 14.982 33.407 1.00 0.00 H new ATOM 0 HA LEU A 103 -25.683 17.028 32.154 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -26.330 14.823 33.591 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -26.538 16.017 34.857 1.00 0.00 H new ATOM 0 HG LEU A 103 -27.946 17.377 33.179 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -28.908 16.079 31.298 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -27.141 16.220 31.139 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -27.864 14.699 31.715 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -29.956 15.968 33.564 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -28.909 14.592 33.984 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -28.936 16.038 35.021 1.00 0.00 H new ATOM 1734 N GLU A 104 -24.471 17.817 35.120 1.00 0.00 N ATOM 1735 CA GLU A 104 -24.197 18.940 36.009 1.00 0.00 C ATOM 1736 C GLU A 104 -23.309 19.967 35.315 1.00 0.00 C ATOM 1737 O GLU A 104 -23.483 21.173 35.492 1.00 0.00 O ATOM 1738 CB GLU A 104 -23.508 18.447 37.282 1.00 0.00 C ATOM 1739 CG GLU A 104 -24.103 19.164 38.495 1.00 0.00 C ATOM 1740 CD GLU A 104 -23.078 19.219 39.623 1.00 0.00 C ATOM 1741 OE1 GLU A 104 -22.054 18.567 39.499 1.00 0.00 O ATOM 1742 OE2 GLU A 104 -23.332 19.912 40.595 1.00 0.00 O ATOM 0 H GLU A 104 -24.077 16.927 35.425 1.00 0.00 H new ATOM 0 HA GLU A 104 -25.145 19.410 36.270 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -23.637 17.369 37.384 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -22.436 18.636 37.224 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -24.406 20.174 38.218 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -24.999 18.643 38.832 1.00 0.00 H new ATOM 1749 N GLU A 105 -22.358 19.481 34.524 1.00 0.00 N ATOM 1750 CA GLU A 105 -21.450 20.369 33.808 1.00 0.00 C ATOM 1751 C GLU A 105 -22.208 21.169 32.753 1.00 0.00 C ATOM 1752 O GLU A 105 -21.901 22.335 32.505 1.00 0.00 O ATOM 1753 CB GLU A 105 -20.342 19.554 33.137 1.00 0.00 C ATOM 1754 CG GLU A 105 -19.386 20.497 32.403 1.00 0.00 C ATOM 1755 CD GLU A 105 -17.944 20.049 32.615 1.00 0.00 C ATOM 1756 OE1 GLU A 105 -17.603 19.731 33.743 1.00 0.00 O ATOM 1757 OE2 GLU A 105 -17.202 20.030 31.647 1.00 0.00 O ATOM 0 H GLU A 105 -22.197 18.487 34.364 1.00 0.00 H new ATOM 0 HA GLU A 105 -21.007 21.061 34.524 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -19.798 18.977 33.884 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -20.775 18.840 32.436 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -19.619 20.508 31.338 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -19.516 21.516 32.768 1.00 0.00 H new ATOM 1764 N SER A 106 -23.199 20.533 32.135 1.00 0.00 N ATOM 1765 CA SER A 106 -23.996 21.196 31.108 1.00 0.00 C ATOM 1766 C SER A 106 -24.687 22.430 31.679 1.00 0.00 C ATOM 1767 O SER A 106 -24.728 23.481 31.039 1.00 0.00 O ATOM 1768 CB SER A 106 -25.044 20.229 30.556 1.00 0.00 C ATOM 1769 OG SER A 106 -26.165 20.201 31.429 1.00 0.00 O ATOM 0 H SER A 106 -23.468 19.568 32.325 1.00 0.00 H new ATOM 0 HA SER A 106 -23.331 21.508 30.303 1.00 0.00 H new ATOM 0 HB2 SER A 106 -25.353 20.541 29.558 1.00 0.00 H new ATOM 0 HB3 SER A 106 -24.619 19.230 30.460 1.00 0.00 H new ATOM 0 HG SER A 106 -25.868 19.981 32.336 1.00 0.00 H new ATOM 1775 N LYS A 107 -25.227 22.297 32.886 1.00 0.00 N ATOM 1776 CA LYS A 107 -25.912 23.410 33.534 1.00 0.00 C ATOM 1777 C LYS A 107 -25.001 24.632 33.608 1.00 0.00 C ATOM 1778 O LYS A 107 -25.440 25.760 33.387 1.00 0.00 O ATOM 1779 CB LYS A 107 -26.345 23.007 34.946 1.00 0.00 C ATOM 1780 CG LYS A 107 -27.149 24.145 35.582 1.00 0.00 C ATOM 1781 CD LYS A 107 -26.955 24.123 37.100 1.00 0.00 C ATOM 1782 CE LYS A 107 -27.597 25.368 37.717 1.00 0.00 C ATOM 1783 NZ LYS A 107 -28.935 25.595 37.101 1.00 0.00 N ATOM 0 H LYS A 107 -25.204 21.436 33.432 1.00 0.00 H new ATOM 0 HA LYS A 107 -26.792 23.663 32.943 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -26.948 22.100 34.907 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -25.470 22.782 35.555 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -26.824 25.104 35.177 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -28.206 24.038 35.338 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -27.404 23.223 37.521 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -25.892 24.092 37.341 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -27.698 25.242 38.795 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -26.959 26.237 37.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -29.499 26.216 37.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -28.817 26.043 36.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -29.424 24.684 36.988 1.00 0.00 H new ATOM 1797 N ALA A 108 -23.732 24.399 33.925 1.00 0.00 N ATOM 1798 CA ALA A 108 -22.768 25.489 34.029 1.00 0.00 C ATOM 1799 C ALA A 108 -22.462 26.072 32.652 1.00 0.00 C ATOM 1800 O ALA A 108 -22.228 27.272 32.515 1.00 0.00 O ATOM 1801 CB ALA A 108 -21.474 24.980 34.669 1.00 0.00 C ATOM 0 H ALA A 108 -23.349 23.473 34.113 1.00 0.00 H new ATOM 0 HA ALA A 108 -23.200 26.272 34.652 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -20.758 25.799 34.744 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -21.688 24.593 35.665 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -21.052 24.185 34.054 1.00 0.00 H new ATOM 1807 N THR A 109 -22.463 25.213 31.638 1.00 0.00 N ATOM 1808 CA THR A 109 -22.181 25.653 30.275 1.00 0.00 C ATOM 1809 C THR A 109 -23.408 26.313 29.656 1.00 0.00 C ATOM 1810 O THR A 109 -23.289 27.256 28.873 1.00 0.00 O ATOM 1811 CB THR A 109 -21.754 24.456 29.420 1.00 0.00 C ATOM 1812 OG1 THR A 109 -21.551 23.327 30.259 1.00 0.00 O ATOM 1813 CG2 THR A 109 -20.454 24.786 28.684 1.00 0.00 C ATOM 0 H THR A 109 -22.654 24.216 31.732 1.00 0.00 H new ATOM 0 HA THR A 109 -21.373 26.383 30.309 1.00 0.00 H new ATOM 0 HB THR A 109 -22.534 24.235 28.691 1.00 0.00 H new ATOM 0 HG1 THR A 109 -21.279 22.559 29.714 1.00 0.00 H new ATOM 0 HG21 THR A 109 -20.153 23.932 28.077 1.00 0.00 H new ATOM 0 HG22 THR A 109 -20.610 25.652 28.041 1.00 0.00 H new ATOM 0 HG23 THR A 109 -19.672 25.009 29.409 1.00 0.00 H new ATOM 1821 N ILE A 110 -24.587 25.809 30.006 1.00 0.00 N ATOM 1822 CA ILE A 110 -25.831 26.355 29.474 1.00 0.00 C ATOM 1823 C ILE A 110 -26.124 27.728 30.073 1.00 0.00 C ATOM 1824 O ILE A 110 -26.567 28.638 29.373 1.00 0.00 O ATOM 1825 CB ILE A 110 -26.989 25.405 29.783 1.00 0.00 C ATOM 1826 CG1 ILE A 110 -26.807 24.110 28.989 1.00 0.00 C ATOM 1827 CG2 ILE A 110 -28.312 26.065 29.387 1.00 0.00 C ATOM 1828 CD1 ILE A 110 -27.631 22.992 29.632 1.00 0.00 C ATOM 0 H ILE A 110 -24.707 25.028 30.651 1.00 0.00 H new ATOM 0 HA ILE A 110 -25.722 26.463 28.395 1.00 0.00 H new ATOM 0 HB ILE A 110 -27.002 25.181 30.850 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -27.121 24.258 27.956 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -25.754 23.831 28.965 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -29.137 25.387 29.607 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -28.441 26.989 29.951 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -28.302 26.289 28.320 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -27.500 22.071 29.065 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -27.296 22.837 30.658 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -28.685 23.271 29.632 1.00 0.00 H new ATOM 1840 N HIS A 111 -25.880 27.867 31.371 1.00 0.00 N ATOM 1841 CA HIS A 111 -26.127 29.132 32.055 1.00 0.00 C ATOM 1842 C HIS A 111 -25.252 30.243 31.478 1.00 0.00 C ATOM 1843 O HIS A 111 -25.630 31.414 31.496 1.00 0.00 O ATOM 1844 CB HIS A 111 -25.838 28.981 33.549 1.00 0.00 C ATOM 1845 CG HIS A 111 -25.675 30.342 34.168 1.00 0.00 C ATOM 1846 ND1 HIS A 111 -26.386 31.507 34.018 1.00 0.00 N flip ATOM 1847 CD2 HIS A 111 -24.666 30.628 35.074 1.00 0.00 C flip ATOM 1848 CE1 HIS A 111 -25.829 32.501 34.818 1.00 0.00 C flip ATOM 1849 NE2 HIS A 111 -24.796 31.919 35.432 1.00 0.00 N flip ATOM 0 H HIS A 111 -25.514 27.125 31.968 1.00 0.00 H new ATOM 0 HA HIS A 111 -27.173 29.400 31.908 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -26.652 28.444 34.035 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -24.933 28.391 33.698 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -23.913 29.940 35.428 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -26.161 33.524 34.920 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -24.181 32.395 36.092 1.00 0.00 H new ATOM 1858 N GLU A 112 -24.083 29.867 30.973 1.00 0.00 N ATOM 1859 CA GLU A 112 -23.160 30.841 30.399 1.00 0.00 C ATOM 1860 C GLU A 112 -23.823 31.615 29.263 1.00 0.00 C ATOM 1861 O GLU A 112 -23.716 32.839 29.188 1.00 0.00 O ATOM 1862 CB GLU A 112 -21.913 30.126 29.872 1.00 0.00 C ATOM 1863 CG GLU A 112 -20.812 31.150 29.585 1.00 0.00 C ATOM 1864 CD GLU A 112 -19.480 30.650 30.134 1.00 0.00 C ATOM 1865 OE1 GLU A 112 -19.440 30.292 31.299 1.00 0.00 O ATOM 1866 OE2 GLU A 112 -18.521 30.632 29.381 1.00 0.00 O ATOM 0 H GLU A 112 -23.753 28.902 30.949 1.00 0.00 H new ATOM 0 HA GLU A 112 -22.876 31.546 31.180 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -21.563 29.398 30.604 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -22.155 29.574 28.964 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -20.732 31.319 28.511 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -21.066 32.107 30.040 1.00 0.00 H new ATOM 1873 N ASN A 113 -24.502 30.893 28.377 1.00 0.00 N ATOM 1874 CA ASN A 113 -25.173 31.521 27.243 1.00 0.00 C ATOM 1875 C ASN A 113 -26.215 32.533 27.714 1.00 0.00 C ATOM 1876 O ASN A 113 -26.255 33.665 27.233 1.00 0.00 O ATOM 1877 CB ASN A 113 -25.853 30.453 26.387 1.00 0.00 C ATOM 1878 CG ASN A 113 -25.597 30.727 24.909 1.00 0.00 C ATOM 1879 OD1 ASN A 113 -25.959 31.789 24.403 1.00 0.00 O ATOM 1880 ND2 ASN A 113 -24.991 29.827 24.184 1.00 0.00 N ATOM 0 H ASN A 113 -24.602 29.879 28.421 1.00 0.00 H new ATOM 0 HA ASN A 113 -24.422 32.046 26.652 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -25.474 29.466 26.653 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -26.925 30.446 26.584 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -24.816 30.002 23.195 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -24.692 28.948 24.607 1.00 0.00 H new ATOM 1887 N ILE A 114 -27.058 32.115 28.652 1.00 0.00 N ATOM 1888 CA ILE A 114 -28.100 32.994 29.173 1.00 0.00 C ATOM 1889 C ILE A 114 -27.493 34.270 29.745 1.00 0.00 C ATOM 1890 O ILE A 114 -28.154 35.307 29.813 1.00 0.00 O ATOM 1891 CB ILE A 114 -28.896 32.272 30.260 1.00 0.00 C ATOM 1892 CG1 ILE A 114 -29.393 30.929 29.718 1.00 0.00 C ATOM 1893 CG2 ILE A 114 -30.092 33.130 30.674 1.00 0.00 C ATOM 1894 CD1 ILE A 114 -30.098 31.148 28.377 1.00 0.00 C ATOM 0 H ILE A 114 -27.042 31.182 29.064 1.00 0.00 H new ATOM 0 HA ILE A 114 -28.766 33.261 28.352 1.00 0.00 H new ATOM 0 HB ILE A 114 -28.257 32.101 31.126 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -28.555 30.243 29.593 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -30.078 30.469 30.430 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -30.659 32.614 31.449 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -29.738 34.086 31.059 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -30.733 33.302 29.809 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -30.452 30.192 27.991 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -30.946 31.819 28.517 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -29.399 31.590 27.666 1.00 0.00 H new ATOM 1906 N GLY A 115 -26.232 34.189 30.155 1.00 0.00 N ATOM 1907 CA GLY A 115 -25.547 35.345 30.721 1.00 0.00 C ATOM 1908 C GLY A 115 -25.504 36.497 29.721 1.00 0.00 C ATOM 1909 O GLY A 115 -25.466 37.665 30.107 1.00 0.00 O ATOM 0 H GLY A 115 -25.667 33.341 30.107 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -26.057 35.666 31.629 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -24.532 35.068 31.006 1.00 0.00 H new ATOM 1913 N ALA A 116 -25.511 36.159 28.436 1.00 0.00 N ATOM 1914 CA ALA A 116 -25.472 37.174 27.389 1.00 0.00 C ATOM 1915 C ALA A 116 -26.726 38.041 27.435 1.00 0.00 C ATOM 1916 O ALA A 116 -26.716 39.187 26.987 1.00 0.00 O ATOM 1917 CB ALA A 116 -25.364 36.507 26.017 1.00 0.00 C ATOM 0 H ALA A 116 -25.543 35.198 28.096 1.00 0.00 H new ATOM 0 HA ALA A 116 -24.600 37.806 27.556 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -25.336 37.272 25.242 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -24.452 35.911 25.973 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -26.227 35.861 25.858 1.00 0.00 H new ATOM 1923 N ALA A 117 -27.803 37.486 27.978 1.00 0.00 N ATOM 1924 CA ALA A 117 -29.059 38.219 28.076 1.00 0.00 C ATOM 1925 C ALA A 117 -30.125 37.372 28.764 1.00 0.00 C ATOM 1926 O ALA A 117 -30.973 36.770 28.106 1.00 0.00 O ATOM 1927 CB ALA A 117 -29.541 38.616 26.680 1.00 0.00 C ATOM 0 H ALA A 117 -27.832 36.538 28.354 1.00 0.00 H new ATOM 0 HA ALA A 117 -28.888 39.116 28.671 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -30.480 39.163 26.761 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -28.792 39.249 26.203 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -29.695 37.719 26.079 1.00 0.00 H new ATOM 1933 N GLY A 118 -30.075 37.333 30.091 1.00 0.00 N ATOM 1934 CA GLY A 118 -31.041 36.560 30.862 1.00 0.00 C ATOM 1935 C GLY A 118 -31.922 37.480 31.699 1.00 0.00 C ATOM 1936 O GLY A 118 -31.813 37.515 32.925 1.00 0.00 O ATOM 0 H GLY A 118 -29.380 37.825 30.652 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -31.661 35.968 30.189 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -30.517 35.859 31.512 1.00 0.00 H new ATOM 1940 N PHE A 119 -32.791 38.228 31.027 1.00 0.00 N ATOM 1941 CA PHE A 119 -33.684 39.153 31.715 1.00 0.00 C ATOM 1942 C PHE A 119 -35.006 39.278 30.965 1.00 0.00 C ATOM 1943 O PHE A 119 -35.177 40.174 30.137 1.00 0.00 O ATOM 1944 CB PHE A 119 -33.020 40.527 31.820 1.00 0.00 C ATOM 1945 CG PHE A 119 -33.629 41.301 32.965 1.00 0.00 C ATOM 1946 CD1 PHE A 119 -34.813 42.021 32.772 1.00 0.00 C ATOM 1947 CD2 PHE A 119 -33.006 41.300 34.218 1.00 0.00 C ATOM 1948 CE1 PHE A 119 -35.376 42.741 33.833 1.00 0.00 C ATOM 1949 CE2 PHE A 119 -33.568 42.019 35.280 1.00 0.00 C ATOM 1950 CZ PHE A 119 -34.753 42.740 35.087 1.00 0.00 C ATOM 0 H PHE A 119 -32.896 38.212 30.013 1.00 0.00 H new ATOM 0 HA PHE A 119 -33.885 38.767 32.714 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -31.947 40.412 31.976 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -33.150 41.076 30.888 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -35.293 42.022 31.804 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -32.092 40.745 34.366 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -36.290 43.297 33.684 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -33.088 42.018 36.247 1.00 0.00 H new ATOM 0 HZ PHE A 119 -35.186 43.295 35.906 1.00 0.00 H new ATOM 1960 N LYS A 120 -35.939 38.376 31.258 1.00 0.00 N ATOM 1961 CA LYS A 120 -37.242 38.399 30.602 1.00 0.00 C ATOM 1962 C LYS A 120 -37.897 39.769 30.759 1.00 0.00 C ATOM 1963 O LYS A 120 -37.272 40.798 30.504 1.00 0.00 O ATOM 1964 CB LYS A 120 -38.150 37.323 31.202 1.00 0.00 C ATOM 1965 CG LYS A 120 -37.607 35.939 30.842 1.00 0.00 C ATOM 1966 CD LYS A 120 -38.768 35.028 30.436 1.00 0.00 C ATOM 1967 CE LYS A 120 -38.263 33.592 30.280 1.00 0.00 C ATOM 1968 NZ LYS A 120 -39.305 32.772 29.600 1.00 0.00 N ATOM 0 H LYS A 120 -35.819 37.627 31.939 1.00 0.00 H new ATOM 0 HA LYS A 120 -37.097 38.198 29.541 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -38.199 37.436 32.285 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -39.166 37.437 30.823 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -36.890 36.019 30.025 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -37.075 35.512 31.692 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -39.555 35.068 31.189 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -39.205 35.374 29.499 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -37.340 33.580 29.700 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -38.031 33.168 31.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -38.963 31.796 29.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -40.175 32.774 30.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -39.505 33.173 28.662 1.00 0.00 H new ATOM 1982 N MET A 121 -39.158 39.776 31.182 1.00 0.00 N ATOM 1983 CA MET A 121 -39.882 41.028 31.369 1.00 0.00 C ATOM 1984 C MET A 121 -40.163 41.267 32.849 1.00 0.00 C ATOM 1985 O MET A 121 -40.333 40.322 33.620 1.00 0.00 O ATOM 1986 CB MET A 121 -41.201 40.993 30.594 1.00 0.00 C ATOM 1987 CG MET A 121 -41.916 39.668 30.858 1.00 0.00 C ATOM 1988 SD MET A 121 -43.319 39.505 29.725 1.00 0.00 S ATOM 1989 CE MET A 121 -43.631 37.744 29.999 1.00 0.00 C ATOM 0 H MET A 121 -39.695 38.937 31.400 1.00 0.00 H new ATOM 0 HA MET A 121 -39.264 41.843 30.992 1.00 0.00 H new ATOM 0 HB2 MET A 121 -41.835 41.826 30.897 1.00 0.00 H new ATOM 0 HB3 MET A 121 -41.011 41.109 29.527 1.00 0.00 H new ATOM 0 HG2 MET A 121 -41.225 38.836 30.721 1.00 0.00 H new ATOM 0 HG3 MET A 121 -42.262 39.628 31.891 1.00 0.00 H new ATOM 0 HE1 MET A 121 -44.474 37.424 29.386 1.00 0.00 H new ATOM 0 HE2 MET A 121 -42.745 37.171 29.726 1.00 0.00 H new ATOM 0 HE3 MET A 121 -43.862 37.575 31.051 1.00 0.00 H new ATOM 1999 N SER A 122 -40.209 42.536 33.240 1.00 0.00 N ATOM 2000 CA SER A 122 -40.467 42.890 34.631 1.00 0.00 C ATOM 2001 C SER A 122 -41.961 42.823 34.937 1.00 0.00 C ATOM 2002 O SER A 122 -42.796 43.046 34.061 1.00 0.00 O ATOM 2003 CB SER A 122 -39.948 44.298 34.915 1.00 0.00 C ATOM 2004 OG SER A 122 -38.722 44.210 35.629 1.00 0.00 O ATOM 0 H SER A 122 -40.072 43.332 32.618 1.00 0.00 H new ATOM 0 HA SER A 122 -39.947 42.175 35.269 1.00 0.00 H new ATOM 0 HB2 SER A 122 -39.800 44.839 33.980 1.00 0.00 H new ATOM 0 HB3 SER A 122 -40.681 44.858 35.495 1.00 0.00 H new ATOM 0 HG SER A 122 -38.384 45.112 35.812 1.00 0.00 H new ATOM 2010 N PRO A 123 -42.302 42.519 36.160 1.00 0.00 N ATOM 2011 CA PRO A 123 -43.725 42.416 36.602 1.00 0.00 C ATOM 2012 C PRO A 123 -44.408 43.780 36.663 1.00 0.00 C ATOM 2013 O PRO A 123 -45.573 43.854 36.308 1.00 0.00 O ATOM 2014 CB PRO A 123 -43.628 41.790 37.995 1.00 0.00 C ATOM 2015 CG PRO A 123 -42.265 42.141 38.491 1.00 0.00 C ATOM 2016 CD PRO A 123 -41.366 42.242 37.259 1.00 0.00 C ATOM 2017 OXT PRO A 123 -43.757 44.730 37.066 1.00 0.00 O ATOM 0 HA PRO A 123 -44.328 41.830 35.909 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -44.400 42.182 38.657 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -43.764 40.709 37.951 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -42.282 43.084 39.037 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -41.895 41.381 39.179 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -40.629 43.038 37.366 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -40.814 41.317 37.090 1.00 0.00 H new TER 2025 PRO A 123