USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 622 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 13 SER OG : rot 88:sc= 0.363 USER MOD Set 1.2: A 83 HIS : no HD1:sc= 0.338 K(o=0.7,f=-1.1) USER MOD Single : A 9 MET CE :methyl -157:sc= -0.438 (180deg=-1.73) USER MOD Single : A 14 SER OG : rot 120:sc= -0.801 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 24:sc= -0.296! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot -80:sc= -1.14 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.787 USER MOD Single : A 35 LYS NZ :NH3+ 175:sc=-0.00761 (180deg=-0.0167) USER MOD Single : A 36 CYS SG : rot 34:sc= 0.632 USER MOD Single : A 37 LYS NZ :NH3+ -122:sc= -4.26! (180deg=-8.88!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 180:sc= -0.271 USER MOD Single : A 49 MET CE :methyl -151:sc= -3.69 (180deg=-4.95!) USER MOD Single : A 54 TYR OH : rot -5:sc= 1.2 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -140:sc= -0.117 USER MOD Single : A 63 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.234) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 30:sc= -0.39 USER MOD Single : A 80 CYS SG : rot 140:sc= -7.04! USER MOD Single : A 87 HIS : no HD1:sc= -0.557 X(o=-0.56,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 0.631 -8.925 10.367 1.00 0.00 N ATOM 60 CA GLY A 7 0.777 -8.012 9.245 1.00 0.00 C ATOM 61 C GLY A 7 1.272 -6.643 9.714 1.00 0.00 C ATOM 62 O GLY A 7 1.963 -6.541 10.727 1.00 0.00 O ATOM 0 HA2 GLY A 7 1.478 -8.428 8.522 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.180 -7.902 8.734 1.00 0.00 H new ATOM 66 N VAL A 8 0.899 -5.623 8.955 1.00 0.00 N ATOM 67 CA VAL A 8 1.297 -4.263 9.280 1.00 0.00 C ATOM 68 C VAL A 8 0.174 -3.301 8.888 1.00 0.00 C ATOM 69 O VAL A 8 -0.448 -3.462 7.839 1.00 0.00 O ATOM 70 CB VAL A 8 2.631 -3.933 8.607 1.00 0.00 C ATOM 71 CG1 VAL A 8 3.804 -4.220 9.546 1.00 0.00 C ATOM 72 CG2 VAL A 8 2.783 -4.695 7.289 1.00 0.00 C ATOM 0 H VAL A 8 0.326 -5.711 8.116 1.00 0.00 H new ATOM 0 HA VAL A 8 1.456 -4.157 10.353 1.00 0.00 H new ATOM 0 HB VAL A 8 2.638 -2.867 8.380 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.740 -3.977 9.043 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.707 -3.613 10.446 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.802 -5.275 9.819 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.739 -4.443 6.831 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.745 -5.767 7.482 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.973 -4.419 6.614 1.00 0.00 H new ATOM 82 N MET A 9 -0.050 -2.321 9.751 1.00 0.00 N ATOM 83 CA MET A 9 -1.087 -1.332 9.507 1.00 0.00 C ATOM 84 C MET A 9 -0.519 -0.108 8.787 1.00 0.00 C ATOM 85 O MET A 9 0.413 0.528 9.278 1.00 0.00 O ATOM 86 CB MET A 9 -1.704 -0.901 10.839 1.00 0.00 C ATOM 87 CG MET A 9 -2.326 0.493 10.729 1.00 0.00 C ATOM 88 SD MET A 9 -3.788 0.591 11.750 1.00 0.00 S ATOM 89 CE MET A 9 -4.915 -0.388 10.772 1.00 0.00 C ATOM 0 H MET A 9 0.468 -2.190 10.620 1.00 0.00 H new ATOM 0 HA MET A 9 -1.850 -1.782 8.871 1.00 0.00 H new ATOM 0 HB2 MET A 9 -2.465 -1.620 11.141 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.939 -0.902 11.616 1.00 0.00 H new ATOM 0 HG2 MET A 9 -1.604 1.248 11.040 1.00 0.00 H new ATOM 0 HG3 MET A 9 -2.582 0.705 9.691 1.00 0.00 H new ATOM 0 HE1 MET A 9 -5.941 -0.113 11.016 1.00 0.00 H new ATOM 0 HE2 MET A 9 -4.732 -0.204 9.713 1.00 0.00 H new ATOM 0 HE3 MET A 9 -4.761 -1.445 10.989 1.00 0.00 H new ATOM 99 N VAL A 10 -1.103 0.186 7.635 1.00 0.00 N ATOM 100 CA VAL A 10 -0.667 1.323 6.843 1.00 0.00 C ATOM 101 C VAL A 10 -1.883 2.167 6.456 1.00 0.00 C ATOM 102 O VAL A 10 -2.954 1.628 6.181 1.00 0.00 O ATOM 103 CB VAL A 10 0.136 0.840 5.633 1.00 0.00 C ATOM 104 CG1 VAL A 10 1.368 0.048 6.073 1.00 0.00 C ATOM 105 CG2 VAL A 10 -0.740 0.014 4.689 1.00 0.00 C ATOM 0 H VAL A 10 -1.875 -0.344 7.231 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.002 1.961 7.425 1.00 0.00 H new ATOM 0 HB VAL A 10 0.481 1.718 5.087 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.921 -0.283 5.194 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.008 0.682 6.686 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.054 -0.820 6.653 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.146 -0.317 3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.129 -0.855 5.220 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.571 0.625 4.336 1.00 0.00 H new ATOM 115 N PHE A 11 -1.677 3.475 6.447 1.00 0.00 N ATOM 116 CA PHE A 11 -2.743 4.399 6.098 1.00 0.00 C ATOM 117 C PHE A 11 -2.728 4.713 4.600 1.00 0.00 C ATOM 118 O PHE A 11 -1.886 5.477 4.132 1.00 0.00 O ATOM 119 CB PHE A 11 -2.492 5.689 6.881 1.00 0.00 C ATOM 120 CG PHE A 11 -3.280 5.787 8.188 1.00 0.00 C ATOM 121 CD1 PHE A 11 -4.534 6.313 8.189 1.00 0.00 C ATOM 122 CD2 PHE A 11 -2.726 5.348 9.351 1.00 0.00 C ATOM 123 CE1 PHE A 11 -5.265 6.404 9.403 1.00 0.00 C ATOM 124 CE2 PHE A 11 -3.457 5.439 10.564 1.00 0.00 C ATOM 125 CZ PHE A 11 -4.711 5.965 10.565 1.00 0.00 C ATOM 0 H PHE A 11 -0.787 3.918 6.676 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.711 3.959 6.340 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.428 5.765 7.104 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.747 6.540 6.250 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.974 6.662 7.266 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.730 4.930 9.351 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.261 6.822 9.404 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.017 5.090 11.487 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.267 6.034 11.488 1.00 0.00 H new ATOM 135 N ILE A 12 -3.670 4.109 3.892 1.00 0.00 N ATOM 136 CA ILE A 12 -3.776 4.315 2.457 1.00 0.00 C ATOM 137 C ILE A 12 -4.579 5.589 2.187 1.00 0.00 C ATOM 138 O ILE A 12 -5.615 5.818 2.810 1.00 0.00 O ATOM 139 CB ILE A 12 -4.351 3.070 1.778 1.00 0.00 C ATOM 140 CG1 ILE A 12 -3.676 1.800 2.299 1.00 0.00 C ATOM 141 CG2 ILE A 12 -4.259 3.184 0.255 1.00 0.00 C ATOM 142 CD1 ILE A 12 -2.178 1.806 1.984 1.00 0.00 C ATOM 0 H ILE A 12 -4.367 3.477 4.285 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.789 4.461 2.019 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.409 3.000 2.033 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.824 1.721 3.376 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.143 0.924 1.848 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.674 2.286 -0.203 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.822 4.056 -0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.215 3.292 -0.039 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.722 0.892 2.365 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.033 1.861 0.905 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.710 2.669 2.457 1.00 0.00 H new ATOM 154 N SER A 13 -4.071 6.384 1.258 1.00 0.00 N ATOM 155 CA SER A 13 -4.728 7.629 0.898 1.00 0.00 C ATOM 156 C SER A 13 -4.518 7.921 -0.589 1.00 0.00 C ATOM 157 O SER A 13 -3.456 7.630 -1.139 1.00 0.00 O ATOM 158 CB SER A 13 -4.207 8.792 1.745 1.00 0.00 C ATOM 159 OG SER A 13 -2.785 8.787 1.843 1.00 0.00 O ATOM 0 H SER A 13 -3.212 6.191 0.743 1.00 0.00 H new ATOM 0 HA SER A 13 -5.795 7.521 1.094 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.537 9.735 1.308 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.639 8.735 2.744 1.00 0.00 H new ATOM 0 HG SER A 13 -2.403 9.281 1.087 1.00 0.00 H new ATOM 165 N SER A 14 -5.546 8.492 -1.199 1.00 0.00 N ATOM 166 CA SER A 14 -5.488 8.826 -2.612 1.00 0.00 C ATOM 167 C SER A 14 -6.017 10.243 -2.837 1.00 0.00 C ATOM 168 O SER A 14 -6.758 10.772 -2.009 1.00 0.00 O ATOM 169 CB SER A 14 -6.285 7.822 -3.448 1.00 0.00 C ATOM 170 OG SER A 14 -7.299 7.176 -2.683 1.00 0.00 O ATOM 0 H SER A 14 -6.425 8.732 -0.740 1.00 0.00 H new ATOM 0 HA SER A 14 -4.447 8.779 -2.932 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.741 8.336 -4.294 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.608 7.073 -3.858 1.00 0.00 H new ATOM 0 HG SER A 14 -8.176 7.364 -3.078 1.00 0.00 H new ATOM 176 N SER A 15 -5.617 10.819 -3.961 1.00 0.00 N ATOM 177 CA SER A 15 -6.042 12.165 -4.305 1.00 0.00 C ATOM 178 C SER A 15 -7.346 12.114 -5.104 1.00 0.00 C ATOM 179 O SER A 15 -7.697 13.074 -5.787 1.00 0.00 O ATOM 180 CB SER A 15 -4.960 12.897 -5.102 1.00 0.00 C ATOM 181 OG SER A 15 -4.332 13.920 -4.334 1.00 0.00 O ATOM 0 H SER A 15 -5.003 10.378 -4.645 1.00 0.00 H new ATOM 0 HA SER A 15 -6.211 12.717 -3.380 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.209 12.181 -5.436 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.402 13.335 -5.997 1.00 0.00 H new ATOM 0 HG SER A 15 -3.647 14.363 -4.877 1.00 0.00 H new ATOM 187 N LEU A 16 -8.028 10.983 -4.992 1.00 0.00 N ATOM 188 CA LEU A 16 -9.285 10.795 -5.695 1.00 0.00 C ATOM 189 C LEU A 16 -10.442 11.202 -4.780 1.00 0.00 C ATOM 190 O LEU A 16 -11.143 12.175 -5.056 1.00 0.00 O ATOM 191 CB LEU A 16 -9.394 9.363 -6.223 1.00 0.00 C ATOM 192 CG LEU A 16 -8.303 8.925 -7.203 1.00 0.00 C ATOM 193 CD1 LEU A 16 -8.015 7.428 -7.069 1.00 0.00 C ATOM 194 CD2 LEU A 16 -8.667 9.312 -8.637 1.00 0.00 C ATOM 0 H LEU A 16 -7.733 10.188 -4.425 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.330 11.439 -6.573 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.386 8.682 -5.372 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.361 9.250 -6.713 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.384 9.454 -6.950 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.236 7.143 -7.776 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.681 7.211 -6.054 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.922 6.863 -7.281 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.875 8.989 -9.313 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.603 8.829 -8.918 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.783 10.394 -8.704 1.00 0.00 H new ATOM 206 N ASN A 17 -10.606 10.438 -3.711 1.00 0.00 N ATOM 207 CA ASN A 17 -11.666 10.708 -2.754 1.00 0.00 C ATOM 208 C ASN A 17 -11.076 11.411 -1.530 1.00 0.00 C ATOM 209 O ASN A 17 -10.045 10.992 -1.006 1.00 0.00 O ATOM 210 CB ASN A 17 -12.325 9.410 -2.281 1.00 0.00 C ATOM 211 CG ASN A 17 -13.336 8.902 -3.311 1.00 0.00 C ATOM 212 OD1 ASN A 17 -14.471 9.347 -3.376 1.00 0.00 O ATOM 213 ND2 ASN A 17 -12.864 7.949 -4.108 1.00 0.00 N ATOM 0 H ASN A 17 -10.023 9.632 -3.486 1.00 0.00 H new ATOM 0 HA ASN A 17 -12.412 11.334 -3.245 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -11.561 8.651 -2.111 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -12.825 9.578 -1.327 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.462 7.544 -4.828 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -11.904 7.623 -3.999 1.00 0.00 H new ATOM 220 N SER A 18 -11.755 12.469 -1.111 1.00 0.00 N ATOM 221 CA SER A 18 -11.311 13.235 0.041 1.00 0.00 C ATOM 222 C SER A 18 -11.525 12.425 1.322 1.00 0.00 C ATOM 223 O SER A 18 -12.446 12.701 2.088 1.00 0.00 O ATOM 224 CB SER A 18 -12.047 14.573 0.130 1.00 0.00 C ATOM 225 OG SER A 18 -11.278 15.561 0.811 1.00 0.00 O ATOM 0 H SER A 18 -12.609 12.814 -1.549 1.00 0.00 H new ATOM 0 HA SER A 18 -10.248 13.444 -0.076 1.00 0.00 H new ATOM 0 HB2 SER A 18 -12.282 14.925 -0.874 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.996 14.431 0.648 1.00 0.00 H new ATOM 0 HG SER A 18 -11.782 16.401 0.846 1.00 0.00 H new ATOM 231 N PHE A 19 -10.658 11.442 1.514 1.00 0.00 N ATOM 232 CA PHE A 19 -10.740 10.590 2.689 1.00 0.00 C ATOM 233 C PHE A 19 -9.553 9.628 2.752 1.00 0.00 C ATOM 234 O PHE A 19 -8.898 9.376 1.742 1.00 0.00 O ATOM 235 CB PHE A 19 -12.032 9.780 2.564 1.00 0.00 C ATOM 236 CG PHE A 19 -12.646 9.377 3.906 1.00 0.00 C ATOM 237 CD1 PHE A 19 -12.916 10.325 4.843 1.00 0.00 C ATOM 238 CD2 PHE A 19 -12.921 8.070 4.163 1.00 0.00 C ATOM 239 CE1 PHE A 19 -13.486 9.951 6.088 1.00 0.00 C ATOM 240 CE2 PHE A 19 -13.491 7.696 5.408 1.00 0.00 C ATOM 241 CZ PHE A 19 -13.761 8.644 6.345 1.00 0.00 C ATOM 0 H PHE A 19 -9.895 11.216 0.876 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.727 11.199 3.593 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -12.762 10.364 2.003 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.830 8.880 1.984 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -12.697 11.363 4.640 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.706 7.317 3.420 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -13.701 10.704 6.831 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -13.710 6.658 5.611 1.00 0.00 H new ATOM 0 HZ PHE A 19 -14.194 8.359 7.293 1.00 0.00 H new ATOM 251 N ARG A 20 -9.311 9.115 3.950 1.00 0.00 N ATOM 252 CA ARG A 20 -8.214 8.186 4.159 1.00 0.00 C ATOM 253 C ARG A 20 -8.733 6.746 4.169 1.00 0.00 C ATOM 254 O ARG A 20 -9.932 6.516 4.317 1.00 0.00 O ATOM 255 CB ARG A 20 -7.494 8.471 5.479 1.00 0.00 C ATOM 256 CG ARG A 20 -6.229 9.299 5.245 1.00 0.00 C ATOM 257 CD ARG A 20 -5.704 9.880 6.560 1.00 0.00 C ATOM 258 NE ARG A 20 -5.646 11.357 6.473 1.00 0.00 N ATOM 259 CZ ARG A 20 -5.365 12.160 7.508 1.00 0.00 C ATOM 260 NH1 ARG A 20 -5.116 11.634 8.715 1.00 0.00 N ATOM 261 NH2 ARG A 20 -5.334 13.488 7.336 1.00 0.00 N ATOM 0 H ARG A 20 -9.856 9.326 4.786 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.508 8.316 3.339 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.163 9.005 6.154 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.233 7.531 5.966 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.461 8.676 4.786 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.443 10.107 4.546 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.352 9.581 7.384 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.712 9.481 6.774 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.832 11.790 5.568 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.140 10.623 8.845 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.902 12.245 9.503 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.524 13.888 6.417 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.120 14.099 8.124 1.00 0.00 H new ATOM 275 N SER A 21 -7.804 5.815 4.010 1.00 0.00 N ATOM 276 CA SER A 21 -8.152 4.405 4.000 1.00 0.00 C ATOM 277 C SER A 21 -7.308 3.649 5.029 1.00 0.00 C ATOM 278 O SER A 21 -6.083 3.756 5.030 1.00 0.00 O ATOM 279 CB SER A 21 -7.958 3.800 2.608 1.00 0.00 C ATOM 280 OG SER A 21 -7.433 4.748 1.682 1.00 0.00 O ATOM 0 H SER A 21 -6.810 6.010 3.887 1.00 0.00 H new ATOM 0 HA SER A 21 -9.205 4.311 4.265 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.283 2.946 2.675 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.913 3.424 2.240 1.00 0.00 H new ATOM 0 HG SER A 21 -6.957 5.453 2.169 1.00 0.00 H new ATOM 286 N GLU A 22 -7.998 2.903 5.879 1.00 0.00 N ATOM 287 CA GLU A 22 -7.327 2.131 6.911 1.00 0.00 C ATOM 288 C GLU A 22 -7.438 0.635 6.610 1.00 0.00 C ATOM 289 O GLU A 22 -8.461 0.014 6.895 1.00 0.00 O ATOM 290 CB GLU A 22 -7.895 2.455 8.294 1.00 0.00 C ATOM 291 CG GLU A 22 -6.797 2.418 9.360 1.00 0.00 C ATOM 292 CD GLU A 22 -7.349 2.816 10.730 1.00 0.00 C ATOM 293 OE1 GLU A 22 -7.925 1.926 11.390 1.00 0.00 O ATOM 294 OE2 GLU A 22 -7.181 4.003 11.085 1.00 0.00 O ATOM 0 H GLU A 22 -9.014 2.817 5.874 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.272 2.404 6.914 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.359 3.441 8.279 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.677 1.739 8.547 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.370 1.416 9.413 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.989 3.094 9.079 1.00 0.00 H new ATOM 301 N LYS A 23 -6.370 0.099 6.037 1.00 0.00 N ATOM 302 CA LYS A 23 -6.334 -1.313 5.694 1.00 0.00 C ATOM 303 C LYS A 23 -5.085 -1.950 6.307 1.00 0.00 C ATOM 304 O LYS A 23 -4.306 -1.277 6.979 1.00 0.00 O ATOM 305 CB LYS A 23 -6.439 -1.499 4.179 1.00 0.00 C ATOM 306 CG LYS A 23 -7.849 -1.172 3.683 1.00 0.00 C ATOM 307 CD LYS A 23 -8.509 -2.401 3.055 1.00 0.00 C ATOM 308 CE LYS A 23 -9.228 -2.034 1.756 1.00 0.00 C ATOM 309 NZ LYS A 23 -10.649 -2.441 1.817 1.00 0.00 N ATOM 0 H LYS A 23 -5.523 0.617 5.802 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.196 -1.830 6.116 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.715 -0.855 3.679 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.186 -2.526 3.917 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.456 -0.814 4.514 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.803 -0.366 2.951 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.754 -3.161 2.855 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.220 -2.835 3.758 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.158 -0.960 1.586 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.740 -2.522 0.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.122 -2.184 0.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.710 -3.470 1.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.115 -1.955 2.610 1.00 0.00 H new ATOM 323 N ARG A 24 -4.934 -3.242 6.052 1.00 0.00 N ATOM 324 CA ARG A 24 -3.793 -3.978 6.570 1.00 0.00 C ATOM 325 C ARG A 24 -3.221 -4.899 5.490 1.00 0.00 C ATOM 326 O ARG A 24 -3.967 -5.471 4.698 1.00 0.00 O ATOM 327 CB ARG A 24 -4.185 -4.815 7.789 1.00 0.00 C ATOM 328 CG ARG A 24 -3.029 -5.715 8.231 1.00 0.00 C ATOM 329 CD ARG A 24 -3.492 -6.724 9.284 1.00 0.00 C ATOM 330 NE ARG A 24 -2.879 -8.046 9.022 1.00 0.00 N ATOM 331 CZ ARG A 24 -3.289 -9.189 9.586 1.00 0.00 C ATOM 332 NH1 ARG A 24 -4.316 -9.181 10.447 1.00 0.00 N ATOM 333 NH2 ARG A 24 -2.674 -10.342 9.289 1.00 0.00 N ATOM 0 H ARG A 24 -5.582 -3.797 5.494 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.038 -3.251 6.870 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.472 -4.157 8.609 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.056 -5.426 7.550 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.625 -6.244 7.368 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.223 -5.104 8.637 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.215 -6.376 10.279 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.579 -6.808 9.266 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.095 -8.089 8.371 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.785 -8.304 10.673 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.628 -10.052 10.877 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.893 -10.349 8.633 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.987 -11.212 9.719 1.00 0.00 H new ATOM 347 N TYR A 25 -1.901 -5.013 5.494 1.00 0.00 N ATOM 348 CA TYR A 25 -1.220 -5.855 4.525 1.00 0.00 C ATOM 349 C TYR A 25 -0.081 -6.637 5.182 1.00 0.00 C ATOM 350 O TYR A 25 0.140 -6.524 6.387 1.00 0.00 O ATOM 351 CB TYR A 25 -0.632 -4.904 3.480 1.00 0.00 C ATOM 352 CG TYR A 25 -1.668 -3.995 2.813 1.00 0.00 C ATOM 353 CD1 TYR A 25 -2.173 -2.908 3.497 1.00 0.00 C ATOM 354 CD2 TYR A 25 -2.096 -4.263 1.529 1.00 0.00 C ATOM 355 CE1 TYR A 25 -3.147 -2.053 2.869 1.00 0.00 C ATOM 356 CE2 TYR A 25 -3.070 -3.408 0.902 1.00 0.00 C ATOM 357 CZ TYR A 25 -3.548 -2.345 1.603 1.00 0.00 C ATOM 358 OH TYR A 25 -4.468 -1.538 1.011 1.00 0.00 O ATOM 0 H TYR A 25 -1.285 -4.536 6.153 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.912 -6.578 4.092 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.128 -4.284 3.955 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.130 -5.491 2.711 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.838 -2.699 4.502 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.700 -5.114 0.994 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.550 -1.199 3.392 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.413 -3.606 -0.103 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.364 -1.773 1.332 1.00 0.00 H new ATOM 368 N SER A 26 0.612 -7.413 4.361 1.00 0.00 N ATOM 369 CA SER A 26 1.722 -8.214 4.848 1.00 0.00 C ATOM 370 C SER A 26 3.049 -7.587 4.415 1.00 0.00 C ATOM 371 O SER A 26 3.143 -7.009 3.333 1.00 0.00 O ATOM 372 CB SER A 26 1.625 -9.654 4.342 1.00 0.00 C ATOM 373 OG SER A 26 2.605 -10.498 4.942 1.00 0.00 O ATOM 0 H SER A 26 0.426 -7.504 3.362 1.00 0.00 H new ATOM 0 HA SER A 26 1.676 -8.236 5.937 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.630 -10.046 4.553 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.749 -9.667 3.259 1.00 0.00 H new ATOM 0 HG SER A 26 2.509 -11.409 4.594 1.00 0.00 H new ATOM 379 N ARG A 27 4.042 -7.722 5.282 1.00 0.00 N ATOM 380 CA ARG A 27 5.359 -7.176 5.002 1.00 0.00 C ATOM 381 C ARG A 27 6.087 -8.046 3.975 1.00 0.00 C ATOM 382 O ARG A 27 7.187 -7.709 3.539 1.00 0.00 O ATOM 383 CB ARG A 27 6.202 -7.091 6.277 1.00 0.00 C ATOM 384 CG ARG A 27 5.693 -5.980 7.197 1.00 0.00 C ATOM 385 CD ARG A 27 6.574 -5.853 8.442 1.00 0.00 C ATOM 386 NE ARG A 27 5.950 -6.567 9.579 1.00 0.00 N ATOM 387 CZ ARG A 27 6.410 -6.523 10.836 1.00 0.00 C ATOM 388 NH1 ARG A 27 7.501 -5.801 11.126 1.00 0.00 N ATOM 389 NH2 ARG A 27 5.780 -7.203 11.804 1.00 0.00 N ATOM 0 H ARG A 27 3.961 -8.202 6.179 1.00 0.00 H new ATOM 0 HA ARG A 27 5.223 -6.171 4.601 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.171 -8.046 6.802 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.244 -6.904 6.017 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.681 -5.033 6.657 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.666 -6.191 7.494 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.563 -6.266 8.241 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.712 -4.802 8.694 1.00 0.00 H new ATOM 0 HE ARG A 27 5.118 -7.127 9.393 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.981 -5.285 10.389 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.851 -5.768 12.084 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.950 -7.754 11.583 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.130 -7.170 12.761 1.00 0.00 H new ATOM 403 N SER A 28 5.443 -9.147 3.617 1.00 0.00 N ATOM 404 CA SER A 28 6.016 -10.067 2.649 1.00 0.00 C ATOM 405 C SER A 28 5.340 -9.883 1.289 1.00 0.00 C ATOM 406 O SER A 28 5.625 -10.618 0.345 1.00 0.00 O ATOM 407 CB SER A 28 5.877 -11.517 3.118 1.00 0.00 C ATOM 408 OG SER A 28 6.682 -11.787 4.262 1.00 0.00 O ATOM 0 H SER A 28 4.530 -9.423 3.980 1.00 0.00 H new ATOM 0 HA SER A 28 7.079 -9.844 2.553 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.833 -11.724 3.352 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.161 -12.189 2.308 1.00 0.00 H new ATOM 0 HG SER A 28 6.564 -12.722 4.532 1.00 0.00 H new ATOM 414 N LEU A 29 4.457 -8.896 1.231 1.00 0.00 N ATOM 415 CA LEU A 29 3.739 -8.606 0.002 1.00 0.00 C ATOM 416 C LEU A 29 4.640 -7.794 -0.930 1.00 0.00 C ATOM 417 O LEU A 29 5.143 -6.738 -0.549 1.00 0.00 O ATOM 418 CB LEU A 29 2.402 -7.928 0.310 1.00 0.00 C ATOM 419 CG LEU A 29 1.174 -8.840 0.320 1.00 0.00 C ATOM 420 CD1 LEU A 29 -0.061 -8.091 0.826 1.00 0.00 C ATOM 421 CD2 LEU A 29 0.942 -9.461 -1.059 1.00 0.00 C ATOM 0 H LEU A 29 4.223 -8.288 2.015 1.00 0.00 H new ATOM 0 HA LEU A 29 3.489 -9.529 -0.520 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.478 -7.444 1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.239 -7.140 -0.425 1.00 0.00 H new ATOM 0 HG LEU A 29 1.362 -9.658 1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.920 -8.762 0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.119 -7.736 1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.263 -7.240 0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.063 -10.105 -1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.784 -8.670 -1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.813 -10.051 -1.344 1.00 0.00 H new ATOM 433 N THR A 30 4.816 -8.317 -2.135 1.00 0.00 N ATOM 434 CA THR A 30 5.648 -7.654 -3.124 1.00 0.00 C ATOM 435 C THR A 30 5.023 -6.319 -3.538 1.00 0.00 C ATOM 436 O THR A 30 3.847 -6.264 -3.895 1.00 0.00 O ATOM 437 CB THR A 30 5.850 -8.618 -4.294 1.00 0.00 C ATOM 438 OG1 THR A 30 4.537 -8.819 -4.810 1.00 0.00 O ATOM 439 CG2 THR A 30 6.288 -10.011 -3.836 1.00 0.00 C ATOM 0 H THR A 30 4.396 -9.192 -2.448 1.00 0.00 H new ATOM 0 HA THR A 30 6.627 -7.406 -2.715 1.00 0.00 H new ATOM 0 HB THR A 30 6.595 -8.209 -4.976 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.576 -9.431 -5.574 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.417 -10.656 -4.705 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.232 -9.936 -3.296 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.527 -10.434 -3.180 1.00 0.00 H new ATOM 447 N ILE A 31 5.838 -5.277 -3.476 1.00 0.00 N ATOM 448 CA ILE A 31 5.381 -3.946 -3.839 1.00 0.00 C ATOM 449 C ILE A 31 4.384 -4.053 -4.995 1.00 0.00 C ATOM 450 O ILE A 31 3.346 -3.393 -4.987 1.00 0.00 O ATOM 451 CB ILE A 31 6.571 -3.033 -4.136 1.00 0.00 C ATOM 452 CG1 ILE A 31 7.478 -2.899 -2.911 1.00 0.00 C ATOM 453 CG2 ILE A 31 6.102 -1.671 -4.653 1.00 0.00 C ATOM 454 CD1 ILE A 31 6.708 -2.330 -1.718 1.00 0.00 C ATOM 0 H ILE A 31 6.813 -5.327 -3.180 1.00 0.00 H new ATOM 0 HA ILE A 31 4.855 -3.483 -3.004 1.00 0.00 H new ATOM 0 HB ILE A 31 7.164 -3.491 -4.928 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.890 -3.874 -2.651 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.321 -2.250 -3.147 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.968 -1.041 -4.856 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.529 -1.808 -5.570 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.474 -1.193 -3.901 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.376 -2.245 -0.861 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.318 -1.345 -1.973 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.881 -2.994 -1.469 1.00 0.00 H new ATOM 466 N ALA A 32 4.735 -4.888 -5.962 1.00 0.00 N ATOM 467 CA ALA A 32 3.884 -5.090 -7.122 1.00 0.00 C ATOM 468 C ALA A 32 2.505 -5.566 -6.662 1.00 0.00 C ATOM 469 O ALA A 32 1.493 -4.933 -6.962 1.00 0.00 O ATOM 470 CB ALA A 32 4.552 -6.078 -8.080 1.00 0.00 C ATOM 0 H ALA A 32 5.597 -5.433 -5.966 1.00 0.00 H new ATOM 0 HA ALA A 32 3.746 -4.154 -7.663 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.913 -6.229 -8.950 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.514 -5.679 -8.401 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.705 -7.030 -7.572 1.00 0.00 H new ATOM 476 N GLU A 33 2.508 -6.677 -5.940 1.00 0.00 N ATOM 477 CA GLU A 33 1.270 -7.246 -5.435 1.00 0.00 C ATOM 478 C GLU A 33 0.522 -6.217 -4.584 1.00 0.00 C ATOM 479 O GLU A 33 -0.654 -5.946 -4.823 1.00 0.00 O ATOM 480 CB GLU A 33 1.538 -8.525 -4.640 1.00 0.00 C ATOM 481 CG GLU A 33 1.655 -9.734 -5.570 1.00 0.00 C ATOM 482 CD GLU A 33 0.323 -10.480 -5.668 1.00 0.00 C ATOM 483 OE1 GLU A 33 -0.629 -9.875 -6.208 1.00 0.00 O ATOM 484 OE2 GLU A 33 0.286 -11.640 -5.202 1.00 0.00 O ATOM 0 H GLU A 33 3.349 -7.199 -5.693 1.00 0.00 H new ATOM 0 HA GLU A 33 0.641 -7.512 -6.285 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.457 -8.414 -4.065 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.732 -8.689 -3.925 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.966 -9.406 -6.562 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.427 -10.408 -5.200 1.00 0.00 H new ATOM 491 N PHE A 34 1.235 -5.673 -3.609 1.00 0.00 N ATOM 492 CA PHE A 34 0.654 -4.680 -2.721 1.00 0.00 C ATOM 493 C PHE A 34 -0.231 -3.702 -3.497 1.00 0.00 C ATOM 494 O PHE A 34 -1.344 -3.396 -3.072 1.00 0.00 O ATOM 495 CB PHE A 34 1.815 -3.909 -2.090 1.00 0.00 C ATOM 496 CG PHE A 34 1.379 -2.830 -1.098 1.00 0.00 C ATOM 497 CD1 PHE A 34 0.156 -2.903 -0.508 1.00 0.00 C ATOM 498 CD2 PHE A 34 2.214 -1.797 -0.806 1.00 0.00 C ATOM 499 CE1 PHE A 34 -0.249 -1.901 0.413 1.00 0.00 C ATOM 500 CE2 PHE A 34 1.809 -0.795 0.115 1.00 0.00 C ATOM 501 CZ PHE A 34 0.586 -0.868 0.705 1.00 0.00 C ATOM 0 H PHE A 34 2.210 -5.901 -3.414 1.00 0.00 H new ATOM 0 HA PHE A 34 0.036 -5.170 -1.969 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.471 -4.614 -1.579 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.402 -3.444 -2.882 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.507 -3.723 -0.740 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.185 -1.739 -1.275 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.220 -1.959 0.882 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.472 0.025 0.347 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.278 -0.106 1.405 1.00 0.00 H new ATOM 511 N LYS A 35 0.297 -3.239 -4.620 1.00 0.00 N ATOM 512 CA LYS A 35 -0.430 -2.302 -5.459 1.00 0.00 C ATOM 513 C LYS A 35 -1.729 -2.954 -5.936 1.00 0.00 C ATOM 514 O LYS A 35 -2.792 -2.336 -5.891 1.00 0.00 O ATOM 515 CB LYS A 35 0.460 -1.799 -6.597 1.00 0.00 C ATOM 516 CG LYS A 35 1.639 -0.989 -6.054 1.00 0.00 C ATOM 517 CD LYS A 35 2.603 -0.603 -7.177 1.00 0.00 C ATOM 518 CE LYS A 35 4.057 -0.797 -6.743 1.00 0.00 C ATOM 519 NZ LYS A 35 4.909 -1.113 -7.910 1.00 0.00 N ATOM 0 H LYS A 35 1.221 -3.496 -4.969 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.708 -1.416 -4.888 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.831 -2.646 -7.175 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.127 -1.182 -7.277 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.270 -0.089 -5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.168 -1.571 -5.300 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.399 -1.209 -8.060 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.440 0.437 -7.460 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.420 0.107 -6.254 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.120 -1.602 -6.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.904 -1.158 -7.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.625 -2.031 -8.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.797 -0.373 -8.632 1.00 0.00 H new ATOM 533 N CYS A 36 -1.602 -4.195 -6.383 1.00 0.00 N ATOM 534 CA CYS A 36 -2.752 -4.938 -6.869 1.00 0.00 C ATOM 535 C CYS A 36 -3.873 -4.817 -5.835 1.00 0.00 C ATOM 536 O CYS A 36 -5.046 -4.724 -6.194 1.00 0.00 O ATOM 537 CB CYS A 36 -2.401 -6.398 -7.161 1.00 0.00 C ATOM 538 SG CYS A 36 -3.414 -7.018 -8.553 1.00 0.00 S ATOM 0 H CYS A 36 -0.719 -4.705 -6.419 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.086 -4.517 -7.817 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.342 -6.485 -7.404 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.575 -7.007 -6.274 1.00 0.00 H new ATOM 0 HG CYS A 36 -3.627 -6.053 -9.398 1.00 0.00 H new ATOM 544 N LYS A 37 -3.473 -4.821 -4.572 1.00 0.00 N ATOM 545 CA LYS A 37 -4.430 -4.713 -3.483 1.00 0.00 C ATOM 546 C LYS A 37 -5.024 -3.304 -3.471 1.00 0.00 C ATOM 547 O LYS A 37 -6.214 -3.130 -3.213 1.00 0.00 O ATOM 548 CB LYS A 37 -3.781 -5.119 -2.158 1.00 0.00 C ATOM 549 CG LYS A 37 -3.537 -6.628 -2.107 1.00 0.00 C ATOM 550 CD LYS A 37 -2.066 -6.955 -2.372 1.00 0.00 C ATOM 551 CE LYS A 37 -1.931 -8.179 -3.280 1.00 0.00 C ATOM 552 NZ LYS A 37 -1.488 -9.356 -2.499 1.00 0.00 N ATOM 0 H LYS A 37 -2.499 -4.897 -4.278 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.257 -5.407 -3.632 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.836 -4.590 -2.035 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.423 -4.823 -1.329 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.829 -7.014 -1.130 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.163 -7.126 -2.847 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.577 -6.098 -2.836 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.555 -7.141 -1.427 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.887 -8.391 -3.759 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.215 -7.972 -4.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.600 -9.723 -2.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.335 -9.078 -1.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.218 -10.096 -2.542 1.00 0.00 H new ATOM 566 N LEU A 38 -4.168 -2.332 -3.753 1.00 0.00 N ATOM 567 CA LEU A 38 -4.594 -0.943 -3.777 1.00 0.00 C ATOM 568 C LEU A 38 -5.561 -0.731 -4.943 1.00 0.00 C ATOM 569 O LEU A 38 -6.533 0.013 -4.821 1.00 0.00 O ATOM 570 CB LEU A 38 -3.381 -0.011 -3.807 1.00 0.00 C ATOM 571 CG LEU A 38 -2.305 -0.277 -2.752 1.00 0.00 C ATOM 572 CD1 LEU A 38 -1.096 0.637 -2.960 1.00 0.00 C ATOM 573 CD2 LEU A 38 -2.880 -0.154 -1.340 1.00 0.00 C ATOM 0 H LEU A 38 -3.182 -2.479 -3.967 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.135 -0.695 -2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.920 -0.078 -4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.732 1.014 -3.689 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.957 -1.303 -2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.346 0.428 -2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.670 0.457 -3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.410 1.678 -2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.095 -0.348 -0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.272 0.852 -1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.684 -0.879 -1.210 1.00 0.00 H new ATOM 585 N GLU A 39 -5.262 -1.400 -6.048 1.00 0.00 N ATOM 586 CA GLU A 39 -6.093 -1.294 -7.235 1.00 0.00 C ATOM 587 C GLU A 39 -7.572 -1.251 -6.845 1.00 0.00 C ATOM 588 O GLU A 39 -8.368 -0.572 -7.492 1.00 0.00 O ATOM 589 CB GLU A 39 -5.814 -2.445 -8.204 1.00 0.00 C ATOM 590 CG GLU A 39 -4.411 -2.329 -8.803 1.00 0.00 C ATOM 591 CD GLU A 39 -4.263 -3.232 -10.030 1.00 0.00 C ATOM 592 OE1 GLU A 39 -4.969 -2.958 -11.024 1.00 0.00 O ATOM 593 OE2 GLU A 39 -3.447 -4.175 -9.944 1.00 0.00 O ATOM 0 H GLU A 39 -4.456 -2.017 -6.146 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.845 -0.364 -7.747 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.913 -3.397 -7.682 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.556 -2.441 -9.003 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.216 -1.294 -9.083 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.668 -2.602 -8.054 1.00 0.00 H new ATOM 600 N LEU A 40 -7.895 -1.985 -5.791 1.00 0.00 N ATOM 601 CA LEU A 40 -9.264 -2.040 -5.308 1.00 0.00 C ATOM 602 C LEU A 40 -9.491 -0.909 -4.303 1.00 0.00 C ATOM 603 O LEU A 40 -10.534 -0.257 -4.322 1.00 0.00 O ATOM 604 CB LEU A 40 -9.581 -3.429 -4.752 1.00 0.00 C ATOM 605 CG LEU A 40 -9.851 -4.521 -5.789 1.00 0.00 C ATOM 606 CD1 LEU A 40 -9.624 -5.912 -5.193 1.00 0.00 C ATOM 607 CD2 LEU A 40 -11.252 -4.376 -6.387 1.00 0.00 C ATOM 0 H LEU A 40 -7.232 -2.547 -5.257 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.964 -1.884 -6.129 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.747 -3.747 -4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.453 -3.348 -4.103 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.138 -4.400 -6.605 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.823 -6.670 -5.951 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.591 -5.999 -4.855 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.296 -6.060 -4.348 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.418 -5.165 -7.121 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.996 -4.456 -5.594 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.342 -3.404 -6.872 1.00 0.00 H new ATOM 619 N VAL A 41 -8.498 -0.711 -3.449 1.00 0.00 N ATOM 620 CA VAL A 41 -8.576 0.330 -2.438 1.00 0.00 C ATOM 621 C VAL A 41 -8.986 1.647 -3.099 1.00 0.00 C ATOM 622 O VAL A 41 -9.793 2.397 -2.551 1.00 0.00 O ATOM 623 CB VAL A 41 -7.249 0.428 -1.683 1.00 0.00 C ATOM 624 CG1 VAL A 41 -7.282 1.566 -0.662 1.00 0.00 C ATOM 625 CG2 VAL A 41 -6.901 -0.902 -1.012 1.00 0.00 C ATOM 0 H VAL A 41 -7.635 -1.254 -3.436 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.338 0.086 -1.698 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.466 0.652 -2.408 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.327 1.614 -0.139 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.462 2.510 -1.176 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.081 1.386 0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.953 -0.805 -0.482 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.686 -1.169 -0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.815 -1.680 -1.770 1.00 0.00 H new ATOM 635 N VAL A 42 -8.412 1.889 -4.269 1.00 0.00 N ATOM 636 CA VAL A 42 -8.708 3.103 -5.011 1.00 0.00 C ATOM 637 C VAL A 42 -9.649 2.770 -6.170 1.00 0.00 C ATOM 638 O VAL A 42 -10.482 3.591 -6.554 1.00 0.00 O ATOM 639 CB VAL A 42 -7.408 3.767 -5.468 1.00 0.00 C ATOM 640 CG1 VAL A 42 -6.832 4.661 -4.368 1.00 0.00 C ATOM 641 CG2 VAL A 42 -6.385 2.720 -5.914 1.00 0.00 C ATOM 0 H VAL A 42 -7.744 1.265 -4.721 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.219 3.825 -4.374 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.639 4.398 -6.326 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.908 5.121 -4.719 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.552 5.440 -4.118 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.625 4.060 -3.482 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.470 3.219 -6.234 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.162 2.052 -5.082 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.793 2.143 -6.744 1.00 0.00 H new ATOM 651 N GLY A 43 -9.486 1.565 -6.696 1.00 0.00 N ATOM 652 CA GLY A 43 -10.311 1.114 -7.804 1.00 0.00 C ATOM 653 C GLY A 43 -9.662 1.460 -9.146 1.00 0.00 C ATOM 654 O GLY A 43 -10.319 1.417 -10.186 1.00 0.00 O ATOM 0 H GLY A 43 -8.795 0.887 -6.375 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.461 0.037 -7.735 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.295 1.578 -7.742 1.00 0.00 H new ATOM 658 N SER A 44 -8.382 1.794 -9.080 1.00 0.00 N ATOM 659 CA SER A 44 -7.638 2.147 -10.277 1.00 0.00 C ATOM 660 C SER A 44 -6.546 1.108 -10.539 1.00 0.00 C ATOM 661 O SER A 44 -6.343 0.199 -9.736 1.00 0.00 O ATOM 662 CB SER A 44 -7.024 3.543 -10.153 1.00 0.00 C ATOM 663 OG SER A 44 -7.320 4.146 -8.897 1.00 0.00 O ATOM 0 H SER A 44 -7.841 1.828 -8.216 1.00 0.00 H new ATOM 0 HA SER A 44 -8.330 2.158 -11.119 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.943 3.476 -10.277 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.399 4.177 -10.957 1.00 0.00 H new ATOM 0 HG SER A 44 -6.909 5.035 -8.856 1.00 0.00 H new ATOM 669 N PRO A 45 -5.852 1.282 -11.696 1.00 0.00 N ATOM 670 CA PRO A 45 -4.786 0.371 -12.074 1.00 0.00 C ATOM 671 C PRO A 45 -3.527 0.624 -11.242 1.00 0.00 C ATOM 672 O PRO A 45 -3.159 1.773 -11.000 1.00 0.00 O ATOM 673 CB PRO A 45 -4.573 0.609 -13.560 1.00 0.00 C ATOM 674 CG PRO A 45 -5.198 1.962 -13.859 1.00 0.00 C ATOM 675 CD PRO A 45 -6.065 2.348 -12.672 1.00 0.00 C ATOM 0 HA PRO A 45 -5.038 -0.672 -11.883 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.512 0.606 -13.808 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.041 -0.177 -14.153 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.424 2.711 -14.026 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.796 1.913 -14.769 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.775 3.318 -12.269 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.115 2.422 -12.956 1.00 0.00 H new ATOM 683 N ALA A 46 -2.902 -0.467 -10.826 1.00 0.00 N ATOM 684 CA ALA A 46 -1.693 -0.378 -10.025 1.00 0.00 C ATOM 685 C ALA A 46 -0.503 -0.073 -10.938 1.00 0.00 C ATOM 686 O ALA A 46 0.533 0.402 -10.476 1.00 0.00 O ATOM 687 CB ALA A 46 -1.505 -1.675 -9.237 1.00 0.00 C ATOM 0 H ALA A 46 -3.210 -1.418 -11.029 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.771 0.434 -9.302 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.598 -1.608 -8.636 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.363 -1.831 -8.583 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.420 -2.512 -9.930 1.00 0.00 H new ATOM 693 N SER A 47 -0.692 -0.359 -12.218 1.00 0.00 N ATOM 694 CA SER A 47 0.352 -0.122 -13.200 1.00 0.00 C ATOM 695 C SER A 47 0.346 1.348 -13.626 1.00 0.00 C ATOM 696 O SER A 47 1.085 1.740 -14.527 1.00 0.00 O ATOM 697 CB SER A 47 0.178 -1.029 -14.420 1.00 0.00 C ATOM 698 OG SER A 47 1.411 -1.609 -14.835 1.00 0.00 O ATOM 0 H SER A 47 -1.553 -0.753 -12.598 1.00 0.00 H new ATOM 0 HA SER A 47 1.312 -0.357 -12.741 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.534 -1.820 -14.185 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.246 -0.453 -15.242 1.00 0.00 H new ATOM 0 HG SER A 47 1.257 -2.182 -15.615 1.00 0.00 H new ATOM 704 N CYS A 48 -0.497 2.121 -12.957 1.00 0.00 N ATOM 705 CA CYS A 48 -0.609 3.538 -13.255 1.00 0.00 C ATOM 706 C CYS A 48 -0.343 4.322 -11.969 1.00 0.00 C ATOM 707 O CYS A 48 0.569 5.147 -11.917 1.00 0.00 O ATOM 708 CB CYS A 48 -1.971 3.883 -13.862 1.00 0.00 C ATOM 709 SG CYS A 48 -2.105 3.175 -15.544 1.00 0.00 S ATOM 0 H CYS A 48 -1.109 1.792 -12.210 1.00 0.00 H new ATOM 0 HA CYS A 48 0.131 3.813 -14.007 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.769 3.493 -13.230 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.096 4.965 -13.903 1.00 0.00 H new ATOM 0 HG CYS A 48 -3.266 3.472 -16.049 1.00 0.00 H new ATOM 715 N MET A 49 -1.155 4.038 -10.961 1.00 0.00 N ATOM 716 CA MET A 49 -1.018 4.706 -9.678 1.00 0.00 C ATOM 717 C MET A 49 0.401 4.552 -9.128 1.00 0.00 C ATOM 718 O MET A 49 1.066 3.550 -9.388 1.00 0.00 O ATOM 719 CB MET A 49 -2.018 4.112 -8.684 1.00 0.00 C ATOM 720 CG MET A 49 -1.397 2.946 -7.912 1.00 0.00 C ATOM 721 SD MET A 49 -2.568 2.307 -6.726 1.00 0.00 S ATOM 722 CE MET A 49 -3.704 1.481 -7.827 1.00 0.00 C ATOM 0 H MET A 49 -1.910 3.354 -11.007 1.00 0.00 H new ATOM 0 HA MET A 49 -1.219 5.768 -9.819 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.343 4.883 -7.986 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.905 3.769 -9.216 1.00 0.00 H new ATOM 0 HG2 MET A 49 -1.101 2.158 -8.604 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.493 3.278 -7.401 1.00 0.00 H new ATOM 0 HE1 MET A 49 -4.701 1.478 -7.386 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.731 2.006 -8.782 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.375 0.454 -7.986 1.00 0.00 H new ATOM 732 N GLU A 50 0.823 5.560 -8.379 1.00 0.00 N ATOM 733 CA GLU A 50 2.152 5.549 -7.790 1.00 0.00 C ATOM 734 C GLU A 50 2.060 5.336 -6.278 1.00 0.00 C ATOM 735 O GLU A 50 1.029 5.617 -5.669 1.00 0.00 O ATOM 736 CB GLU A 50 2.907 6.838 -8.118 1.00 0.00 C ATOM 737 CG GLU A 50 4.411 6.579 -8.231 1.00 0.00 C ATOM 738 CD GLU A 50 4.723 5.676 -9.426 1.00 0.00 C ATOM 739 OE1 GLU A 50 4.244 6.011 -10.531 1.00 0.00 O ATOM 740 OE2 GLU A 50 5.433 4.671 -9.207 1.00 0.00 O ATOM 0 H GLU A 50 0.269 6.389 -8.166 1.00 0.00 H new ATOM 0 HA GLU A 50 2.713 4.719 -8.220 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.535 7.254 -9.054 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.720 7.581 -7.343 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.940 7.526 -8.338 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.773 6.114 -7.314 1.00 0.00 H new ATOM 747 N LEU A 51 3.153 4.843 -5.714 1.00 0.00 N ATOM 748 CA LEU A 51 3.210 4.590 -4.285 1.00 0.00 C ATOM 749 C LEU A 51 4.107 5.636 -3.621 1.00 0.00 C ATOM 750 O LEU A 51 4.951 6.242 -4.278 1.00 0.00 O ATOM 751 CB LEU A 51 3.642 3.147 -4.013 1.00 0.00 C ATOM 752 CG LEU A 51 2.755 2.056 -4.616 1.00 0.00 C ATOM 753 CD1 LEU A 51 2.873 0.753 -3.823 1.00 0.00 C ATOM 754 CD2 LEU A 51 1.305 2.529 -4.729 1.00 0.00 C ATOM 0 H LEU A 51 4.007 4.612 -6.222 1.00 0.00 H new ATOM 0 HA LEU A 51 2.220 4.691 -3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.655 3.015 -4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.684 2.998 -2.934 1.00 0.00 H new ATOM 0 HG LEU A 51 3.106 1.850 -5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.233 -0.006 -4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.908 0.410 -3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.563 0.925 -2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.696 1.735 -5.161 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.926 2.780 -3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.259 3.410 -5.369 1.00 0.00 H new ATOM 766 N GLU A 52 3.892 5.817 -2.326 1.00 0.00 N ATOM 767 CA GLU A 52 4.670 6.780 -1.565 1.00 0.00 C ATOM 768 C GLU A 52 4.735 6.366 -0.094 1.00 0.00 C ATOM 769 O GLU A 52 3.736 5.931 0.477 1.00 0.00 O ATOM 770 CB GLU A 52 4.095 8.190 -1.714 1.00 0.00 C ATOM 771 CG GLU A 52 4.437 8.780 -3.084 1.00 0.00 C ATOM 772 CD GLU A 52 4.361 10.308 -3.057 1.00 0.00 C ATOM 773 OE1 GLU A 52 3.224 10.818 -2.964 1.00 0.00 O ATOM 774 OE2 GLU A 52 5.442 10.931 -3.130 1.00 0.00 O ATOM 0 H GLU A 52 3.190 5.313 -1.784 1.00 0.00 H new ATOM 0 HA GLU A 52 5.685 6.794 -1.963 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.013 8.161 -1.587 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.491 8.833 -0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.439 8.467 -3.379 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.748 8.391 -3.834 1.00 0.00 H new ATOM 781 N LEU A 53 5.920 6.518 0.479 1.00 0.00 N ATOM 782 CA LEU A 53 6.128 6.166 1.873 1.00 0.00 C ATOM 783 C LEU A 53 6.389 7.438 2.683 1.00 0.00 C ATOM 784 O LEU A 53 7.427 8.078 2.523 1.00 0.00 O ATOM 785 CB LEU A 53 7.235 5.118 2.002 1.00 0.00 C ATOM 786 CG LEU A 53 7.665 4.767 3.428 1.00 0.00 C ATOM 787 CD1 LEU A 53 6.507 4.145 4.212 1.00 0.00 C ATOM 788 CD2 LEU A 53 8.902 3.868 3.423 1.00 0.00 C ATOM 0 H LEU A 53 6.746 6.880 0.003 1.00 0.00 H new ATOM 0 HA LEU A 53 5.232 5.703 2.286 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.902 4.205 1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.110 5.474 1.457 1.00 0.00 H new ATOM 0 HG LEU A 53 7.941 5.690 3.938 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.839 3.905 5.222 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.679 4.852 4.261 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.177 3.234 3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.186 3.634 4.449 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.679 2.945 2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.725 4.384 2.928 1.00 0.00 H new ATOM 800 N TYR A 54 5.428 7.766 3.534 1.00 0.00 N ATOM 801 CA TYR A 54 5.540 8.951 4.368 1.00 0.00 C ATOM 802 C TYR A 54 5.836 8.571 5.821 1.00 0.00 C ATOM 803 O TYR A 54 5.342 7.559 6.315 1.00 0.00 O ATOM 804 CB TYR A 54 4.178 9.644 4.302 1.00 0.00 C ATOM 805 CG TYR A 54 3.883 10.309 2.956 1.00 0.00 C ATOM 806 CD1 TYR A 54 3.427 9.551 1.897 1.00 0.00 C ATOM 807 CD2 TYR A 54 4.074 11.667 2.800 1.00 0.00 C ATOM 808 CE1 TYR A 54 3.149 10.176 0.630 1.00 0.00 C ATOM 809 CE2 TYR A 54 3.796 12.293 1.534 1.00 0.00 C ATOM 810 CZ TYR A 54 3.348 11.517 0.511 1.00 0.00 C ATOM 811 OH TYR A 54 3.086 12.107 -0.686 1.00 0.00 O ATOM 0 H TYR A 54 4.569 7.232 3.664 1.00 0.00 H new ATOM 0 HA TYR A 54 6.351 9.591 4.020 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.399 8.912 4.512 1.00 0.00 H new ATOM 0 HB3 TYR A 54 4.127 10.398 5.087 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.279 8.488 2.019 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.432 12.260 3.628 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.791 9.594 -0.206 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.940 13.355 1.400 1.00 0.00 H new ATOM 0 HH TYR A 54 2.851 11.420 -1.345 1.00 0.00 H new ATOM 821 N GLY A 55 6.640 9.405 6.464 1.00 0.00 N ATOM 822 CA GLY A 55 7.007 9.170 7.850 1.00 0.00 C ATOM 823 C GLY A 55 5.820 9.422 8.783 1.00 0.00 C ATOM 824 O GLY A 55 4.765 8.808 8.630 1.00 0.00 O ATOM 0 H GLY A 55 7.047 10.244 6.051 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.356 8.144 7.968 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.836 9.822 8.126 1.00 0.00 H new ATOM 828 N ALA A 56 6.032 10.326 9.727 1.00 0.00 N ATOM 829 CA ALA A 56 4.993 10.667 10.684 1.00 0.00 C ATOM 830 C ALA A 56 4.312 11.966 10.249 1.00 0.00 C ATOM 831 O ALA A 56 3.157 11.953 9.826 1.00 0.00 O ATOM 832 CB ALA A 56 5.601 10.768 12.084 1.00 0.00 C ATOM 0 H ALA A 56 6.908 10.833 9.850 1.00 0.00 H new ATOM 0 HA ALA A 56 4.230 9.889 10.716 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.821 11.024 12.802 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.046 9.811 12.357 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.369 11.541 12.092 1.00 0.00 H new ATOM 838 N ASP A 57 5.055 13.055 10.368 1.00 0.00 N ATOM 839 CA ASP A 57 4.537 14.360 9.992 1.00 0.00 C ATOM 840 C ASP A 57 4.480 14.461 8.467 1.00 0.00 C ATOM 841 O ASP A 57 5.090 15.353 7.877 1.00 0.00 O ATOM 842 CB ASP A 57 5.442 15.481 10.507 1.00 0.00 C ATOM 843 CG ASP A 57 4.962 16.898 10.188 1.00 0.00 C ATOM 844 OD1 ASP A 57 3.847 17.008 9.633 1.00 0.00 O ATOM 845 OD2 ASP A 57 5.720 17.840 10.504 1.00 0.00 O ATOM 0 H ASP A 57 6.012 13.061 10.720 1.00 0.00 H new ATOM 0 HA ASP A 57 3.545 14.468 10.430 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.539 15.381 11.588 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.438 15.347 10.084 1.00 0.00 H new ATOM 850 N ASP A 58 3.743 13.536 7.871 1.00 0.00 N ATOM 851 CA ASP A 58 3.599 13.509 6.426 1.00 0.00 C ATOM 852 C ASP A 58 4.935 13.878 5.777 1.00 0.00 C ATOM 853 O ASP A 58 5.004 14.808 4.976 1.00 0.00 O ATOM 854 CB ASP A 58 2.552 14.522 5.958 1.00 0.00 C ATOM 855 CG ASP A 58 1.952 14.242 4.579 1.00 0.00 C ATOM 856 OD1 ASP A 58 2.754 14.051 3.640 1.00 0.00 O ATOM 857 OD2 ASP A 58 0.705 14.226 4.495 1.00 0.00 O ATOM 0 H ASP A 58 3.239 12.799 8.363 1.00 0.00 H new ATOM 0 HA ASP A 58 3.286 12.506 6.138 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.745 14.552 6.690 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.007 15.512 5.945 1.00 0.00 H new ATOM 862 N LYS A 59 5.963 13.129 6.149 1.00 0.00 N ATOM 863 CA LYS A 59 7.293 13.365 5.613 1.00 0.00 C ATOM 864 C LYS A 59 7.661 12.230 4.655 1.00 0.00 C ATOM 865 O LYS A 59 7.838 11.089 5.078 1.00 0.00 O ATOM 866 CB LYS A 59 8.300 13.563 6.748 1.00 0.00 C ATOM 867 CG LYS A 59 9.711 13.174 6.303 1.00 0.00 C ATOM 868 CD LYS A 59 10.720 13.386 7.433 1.00 0.00 C ATOM 869 CE LYS A 59 11.425 14.737 7.293 1.00 0.00 C ATOM 870 NZ LYS A 59 12.226 15.031 8.502 1.00 0.00 N ATOM 0 H LYS A 59 5.902 12.359 6.815 1.00 0.00 H new ATOM 0 HA LYS A 59 7.313 14.289 5.035 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.290 14.604 7.070 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.007 12.961 7.608 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.723 12.130 5.991 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.000 13.769 5.436 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.210 13.336 8.395 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.458 12.584 7.422 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.071 14.728 6.415 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.687 15.524 7.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.698 15.951 8.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.602 15.060 9.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.942 14.288 8.633 1.00 0.00 H new ATOM 884 N PHE A 60 7.766 12.584 3.383 1.00 0.00 N ATOM 885 CA PHE A 60 8.110 11.609 2.361 1.00 0.00 C ATOM 886 C PHE A 60 9.464 10.960 2.657 1.00 0.00 C ATOM 887 O PHE A 60 10.420 11.646 3.014 1.00 0.00 O ATOM 888 CB PHE A 60 8.199 12.365 1.034 1.00 0.00 C ATOM 889 CG PHE A 60 8.658 11.502 -0.143 1.00 0.00 C ATOM 890 CD1 PHE A 60 7.787 10.642 -0.736 1.00 0.00 C ATOM 891 CD2 PHE A 60 9.936 11.596 -0.598 1.00 0.00 C ATOM 892 CE1 PHE A 60 8.213 9.841 -1.829 1.00 0.00 C ATOM 893 CE2 PHE A 60 10.362 10.796 -1.691 1.00 0.00 C ATOM 894 CZ PHE A 60 9.491 9.935 -2.283 1.00 0.00 C ATOM 0 H PHE A 60 7.619 13.532 3.036 1.00 0.00 H new ATOM 0 HA PHE A 60 7.358 10.820 2.330 1.00 0.00 H new ATOM 0 HB2 PHE A 60 7.222 12.788 0.802 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.889 13.201 1.149 1.00 0.00 H new ATOM 0 HD1 PHE A 60 6.772 10.568 -0.376 1.00 0.00 H new ATOM 0 HD2 PHE A 60 10.627 12.280 -0.128 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.522 9.157 -2.299 1.00 0.00 H new ATOM 0 HE2 PHE A 60 11.377 10.871 -2.052 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.815 9.326 -3.114 1.00 0.00 H new ATOM 904 N TYR A 61 9.501 9.645 2.497 1.00 0.00 N ATOM 905 CA TYR A 61 10.722 8.896 2.741 1.00 0.00 C ATOM 906 C TYR A 61 11.296 8.342 1.436 1.00 0.00 C ATOM 907 O TYR A 61 12.329 8.811 0.960 1.00 0.00 O ATOM 908 CB TYR A 61 10.325 7.728 3.647 1.00 0.00 C ATOM 909 CG TYR A 61 10.331 8.067 5.138 1.00 0.00 C ATOM 910 CD1 TYR A 61 10.409 9.383 5.547 1.00 0.00 C ATOM 911 CD2 TYR A 61 10.257 7.057 6.076 1.00 0.00 C ATOM 912 CE1 TYR A 61 10.414 9.702 6.951 1.00 0.00 C ATOM 913 CE2 TYR A 61 10.262 7.376 7.480 1.00 0.00 C ATOM 914 CZ TYR A 61 10.340 8.683 7.848 1.00 0.00 C ATOM 915 OH TYR A 61 10.345 8.985 9.175 1.00 0.00 O ATOM 0 H TYR A 61 8.705 9.079 2.201 1.00 0.00 H new ATOM 0 HA TYR A 61 11.481 9.535 3.191 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.329 7.387 3.367 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.008 6.897 3.471 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.466 10.174 4.814 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.195 6.027 5.757 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.475 10.728 7.284 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.205 6.595 8.224 1.00 0.00 H new ATOM 0 HH TYR A 61 10.286 8.159 9.699 1.00 0.00 H new ATOM 925 N SER A 62 10.602 7.352 0.894 1.00 0.00 N ATOM 926 CA SER A 62 11.030 6.729 -0.347 1.00 0.00 C ATOM 927 C SER A 62 9.812 6.386 -1.207 1.00 0.00 C ATOM 928 O SER A 62 8.674 6.594 -0.790 1.00 0.00 O ATOM 929 CB SER A 62 11.860 5.473 -0.075 1.00 0.00 C ATOM 930 OG SER A 62 12.152 4.757 -1.271 1.00 0.00 O ATOM 0 H SER A 62 9.746 6.966 1.292 1.00 0.00 H new ATOM 0 HA SER A 62 11.659 7.437 -0.886 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.792 5.754 0.416 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.320 4.823 0.614 1.00 0.00 H new ATOM 0 HG SER A 62 12.074 3.795 -1.104 1.00 0.00 H new ATOM 936 N LYS A 63 10.093 5.865 -2.392 1.00 0.00 N ATOM 937 CA LYS A 63 9.035 5.490 -3.315 1.00 0.00 C ATOM 938 C LYS A 63 8.975 3.965 -3.422 1.00 0.00 C ATOM 939 O LYS A 63 9.994 3.313 -3.644 1.00 0.00 O ATOM 940 CB LYS A 63 9.223 6.194 -4.660 1.00 0.00 C ATOM 941 CG LYS A 63 8.732 7.642 -4.595 1.00 0.00 C ATOM 942 CD LYS A 63 7.523 7.852 -5.508 1.00 0.00 C ATOM 943 CE LYS A 63 7.839 8.865 -6.611 1.00 0.00 C ATOM 944 NZ LYS A 63 6.622 9.621 -6.984 1.00 0.00 N ATOM 0 H LYS A 63 11.038 5.694 -2.735 1.00 0.00 H new ATOM 0 HA LYS A 63 8.067 5.822 -2.940 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.276 6.176 -4.940 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.678 5.656 -5.435 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.465 7.894 -3.569 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.536 8.316 -4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.231 6.902 -5.955 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.675 8.202 -4.920 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.612 9.554 -6.270 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.236 8.348 -7.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.744 10.029 -7.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.802 8.981 -6.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.464 10.385 -6.297 1.00 0.00 H new ATOM 958 N LEU A 64 7.769 3.440 -3.260 1.00 0.00 N ATOM 959 CA LEU A 64 7.562 2.004 -3.336 1.00 0.00 C ATOM 960 C LEU A 64 7.435 1.588 -4.803 1.00 0.00 C ATOM 961 O LEU A 64 6.401 1.065 -5.216 1.00 0.00 O ATOM 962 CB LEU A 64 6.369 1.588 -2.473 1.00 0.00 C ATOM 963 CG LEU A 64 6.472 1.917 -0.983 1.00 0.00 C ATOM 964 CD1 LEU A 64 7.919 2.215 -0.585 1.00 0.00 C ATOM 965 CD2 LEU A 64 5.527 3.061 -0.607 1.00 0.00 C ATOM 0 H LEU A 64 6.926 3.983 -3.076 1.00 0.00 H new ATOM 0 HA LEU A 64 8.422 1.473 -2.927 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.474 2.068 -2.870 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.227 0.512 -2.578 1.00 0.00 H new ATOM 0 HG LEU A 64 6.157 1.040 -0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.963 2.446 0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.540 1.344 -0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.285 3.068 -1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.620 3.275 0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.787 3.951 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.500 2.773 -0.831 1.00 0.00 H new ATOM 977 N ASP A 65 8.501 1.835 -5.549 1.00 0.00 N ATOM 978 CA ASP A 65 8.521 1.493 -6.961 1.00 0.00 C ATOM 979 C ASP A 65 9.048 0.066 -7.128 1.00 0.00 C ATOM 980 O ASP A 65 8.428 -0.752 -7.805 1.00 0.00 O ATOM 981 CB ASP A 65 9.444 2.432 -7.742 1.00 0.00 C ATOM 982 CG ASP A 65 9.995 1.857 -9.048 1.00 0.00 C ATOM 983 OD1 ASP A 65 9.262 1.937 -10.058 1.00 0.00 O ATOM 984 OD2 ASP A 65 11.138 1.352 -9.008 1.00 0.00 O ATOM 0 H ASP A 65 9.357 2.268 -5.203 1.00 0.00 H new ATOM 0 HA ASP A 65 7.505 1.584 -7.345 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.899 3.349 -7.967 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.282 2.709 -7.102 1.00 0.00 H new ATOM 989 N GLN A 66 10.186 -0.188 -6.499 1.00 0.00 N ATOM 990 CA GLN A 66 10.803 -1.501 -6.570 1.00 0.00 C ATOM 991 C GLN A 66 9.738 -2.594 -6.456 1.00 0.00 C ATOM 992 O GLN A 66 9.185 -2.818 -5.380 1.00 0.00 O ATOM 993 CB GLN A 66 11.873 -1.663 -5.488 1.00 0.00 C ATOM 994 CG GLN A 66 12.474 -3.070 -5.518 1.00 0.00 C ATOM 995 CD GLN A 66 13.549 -3.185 -6.599 1.00 0.00 C ATOM 996 OE1 GLN A 66 13.270 -3.368 -7.773 1.00 0.00 O ATOM 997 NE2 GLN A 66 14.792 -3.068 -6.141 1.00 0.00 N ATOM 0 H GLN A 66 10.697 0.494 -5.938 1.00 0.00 H new ATOM 0 HA GLN A 66 11.294 -1.599 -7.538 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.660 -0.924 -5.637 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.436 -1.471 -4.508 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.905 -3.306 -4.545 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.687 -3.801 -5.704 1.00 0.00 H new ATOM 0 HE21 GLN A 66 14.957 -2.916 -5.146 1.00 0.00 H new ATOM 0 HE22 GLN A 66 15.581 -3.130 -6.785 1.00 0.00 H new ATOM 1006 N GLU A 67 9.483 -3.247 -7.581 1.00 0.00 N ATOM 1007 CA GLU A 67 8.495 -4.311 -7.620 1.00 0.00 C ATOM 1008 C GLU A 67 9.058 -5.583 -6.982 1.00 0.00 C ATOM 1009 O GLU A 67 8.306 -6.404 -6.459 1.00 0.00 O ATOM 1010 CB GLU A 67 8.032 -4.576 -9.055 1.00 0.00 C ATOM 1011 CG GLU A 67 7.612 -3.277 -9.744 1.00 0.00 C ATOM 1012 CD GLU A 67 8.150 -3.217 -11.175 1.00 0.00 C ATOM 1013 OE1 GLU A 67 7.952 -4.216 -11.899 1.00 0.00 O ATOM 1014 OE2 GLU A 67 8.748 -2.172 -11.513 1.00 0.00 O ATOM 0 H GLU A 67 9.944 -3.059 -8.472 1.00 0.00 H new ATOM 0 HA GLU A 67 7.625 -3.994 -7.044 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.837 -5.047 -9.619 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.196 -5.275 -9.048 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.525 -3.203 -9.757 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.983 -2.424 -9.176 1.00 0.00 H new ATOM 1021 N ASP A 68 10.375 -5.705 -7.046 1.00 0.00 N ATOM 1022 CA ASP A 68 11.048 -6.863 -6.480 1.00 0.00 C ATOM 1023 C ASP A 68 11.282 -6.631 -4.986 1.00 0.00 C ATOM 1024 O ASP A 68 11.938 -7.435 -4.326 1.00 0.00 O ATOM 1025 CB ASP A 68 12.408 -7.088 -7.143 1.00 0.00 C ATOM 1026 CG ASP A 68 12.682 -8.527 -7.585 1.00 0.00 C ATOM 1027 OD1 ASP A 68 13.212 -9.287 -6.746 1.00 0.00 O ATOM 1028 OD2 ASP A 68 12.355 -8.834 -8.751 1.00 0.00 O ATOM 0 H ASP A 68 10.995 -5.022 -7.481 1.00 0.00 H new ATOM 0 HA ASP A 68 10.417 -7.736 -6.648 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.483 -6.436 -8.013 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.189 -6.783 -6.447 1.00 0.00 H new ATOM 1033 N ALA A 69 10.733 -5.529 -4.497 1.00 0.00 N ATOM 1034 CA ALA A 69 10.874 -5.182 -3.094 1.00 0.00 C ATOM 1035 C ALA A 69 9.668 -5.713 -2.317 1.00 0.00 C ATOM 1036 O ALA A 69 8.668 -6.111 -2.914 1.00 0.00 O ATOM 1037 CB ALA A 69 11.035 -3.666 -2.956 1.00 0.00 C ATOM 0 H ALA A 69 10.189 -4.865 -5.048 1.00 0.00 H new ATOM 0 HA ALA A 69 11.767 -5.645 -2.673 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.141 -3.406 -1.903 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.922 -3.343 -3.500 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.157 -3.168 -3.366 1.00 0.00 H new ATOM 1043 N LEU A 70 9.801 -5.702 -0.999 1.00 0.00 N ATOM 1044 CA LEU A 70 8.733 -6.177 -0.135 1.00 0.00 C ATOM 1045 C LEU A 70 8.451 -5.130 0.943 1.00 0.00 C ATOM 1046 O LEU A 70 9.341 -4.371 1.324 1.00 0.00 O ATOM 1047 CB LEU A 70 9.073 -7.560 0.424 1.00 0.00 C ATOM 1048 CG LEU A 70 9.527 -8.604 -0.597 1.00 0.00 C ATOM 1049 CD1 LEU A 70 10.385 -9.684 0.066 1.00 0.00 C ATOM 1050 CD2 LEU A 70 8.330 -9.200 -1.341 1.00 0.00 C ATOM 0 H LEU A 70 10.632 -5.372 -0.508 1.00 0.00 H new ATOM 0 HA LEU A 70 7.811 -6.305 -0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.859 -7.445 1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.195 -7.946 0.943 1.00 0.00 H new ATOM 0 HG LEU A 70 10.152 -8.107 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.694 -10.413 -0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.267 -9.225 0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.805 -10.184 0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.681 -9.939 -2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.659 -9.678 -0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.796 -8.407 -1.866 1.00 0.00 H new ATOM 1062 N LEU A 71 7.209 -5.122 1.405 1.00 0.00 N ATOM 1063 CA LEU A 71 6.799 -4.180 2.432 1.00 0.00 C ATOM 1064 C LEU A 71 7.565 -4.473 3.723 1.00 0.00 C ATOM 1065 O LEU A 71 7.327 -5.490 4.373 1.00 0.00 O ATOM 1066 CB LEU A 71 5.278 -4.200 2.601 1.00 0.00 C ATOM 1067 CG LEU A 71 4.549 -2.896 2.273 1.00 0.00 C ATOM 1068 CD1 LEU A 71 3.063 -2.996 2.622 1.00 0.00 C ATOM 1069 CD2 LEU A 71 5.220 -1.705 2.959 1.00 0.00 C ATOM 0 H LEU A 71 6.473 -5.753 1.087 1.00 0.00 H new ATOM 0 HA LEU A 71 7.051 -3.161 2.136 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.872 -4.989 1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.051 -4.471 3.632 1.00 0.00 H new ATOM 0 HG LEU A 71 4.617 -2.728 1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.568 -2.056 2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.608 -3.804 2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.952 -3.200 3.687 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.682 -0.791 2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.205 -1.851 4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.252 -1.623 2.618 1.00 0.00 H new ATOM 1081 N GLY A 72 8.470 -3.565 4.056 1.00 0.00 N ATOM 1082 CA GLY A 72 9.273 -3.713 5.258 1.00 0.00 C ATOM 1083 C GLY A 72 10.702 -3.220 5.027 1.00 0.00 C ATOM 1084 O GLY A 72 11.183 -2.342 5.742 1.00 0.00 O ATOM 0 H GLY A 72 8.665 -2.723 3.514 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.819 -3.152 6.075 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.290 -4.760 5.561 1.00 0.00 H new ATOM 1088 N SER A 73 11.342 -3.806 4.026 1.00 0.00 N ATOM 1089 CA SER A 73 12.707 -3.437 3.692 1.00 0.00 C ATOM 1090 C SER A 73 12.852 -1.914 3.689 1.00 0.00 C ATOM 1091 O SER A 73 13.944 -1.390 3.900 1.00 0.00 O ATOM 1092 CB SER A 73 13.117 -4.011 2.334 1.00 0.00 C ATOM 1093 OG SER A 73 14.333 -4.750 2.412 1.00 0.00 O ATOM 0 H SER A 73 10.940 -4.534 3.435 1.00 0.00 H new ATOM 0 HA SER A 73 13.369 -3.858 4.449 1.00 0.00 H new ATOM 0 HB2 SER A 73 12.323 -4.657 1.959 1.00 0.00 H new ATOM 0 HB3 SER A 73 13.232 -3.198 1.617 1.00 0.00 H new ATOM 0 HG SER A 73 14.560 -5.101 1.526 1.00 0.00 H new ATOM 1099 N TYR A 74 11.733 -1.245 3.448 1.00 0.00 N ATOM 1100 CA TYR A 74 11.721 0.207 3.415 1.00 0.00 C ATOM 1101 C TYR A 74 11.527 0.786 4.818 1.00 0.00 C ATOM 1102 O TYR A 74 11.214 0.056 5.757 1.00 0.00 O ATOM 1103 CB TYR A 74 10.526 0.599 2.545 1.00 0.00 C ATOM 1104 CG TYR A 74 10.802 0.534 1.041 1.00 0.00 C ATOM 1105 CD1 TYR A 74 11.683 1.426 0.462 1.00 0.00 C ATOM 1106 CD2 TYR A 74 10.171 -0.415 0.264 1.00 0.00 C ATOM 1107 CE1 TYR A 74 11.943 1.365 -0.953 1.00 0.00 C ATOM 1108 CE2 TYR A 74 10.431 -0.476 -1.151 1.00 0.00 C ATOM 1109 CZ TYR A 74 11.305 0.416 -1.689 1.00 0.00 C ATOM 1110 OH TYR A 74 11.550 0.359 -3.026 1.00 0.00 O ATOM 0 H TYR A 74 10.828 -1.683 3.274 1.00 0.00 H new ATOM 0 HA TYR A 74 12.665 0.590 3.026 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.688 -0.058 2.779 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.218 1.612 2.804 1.00 0.00 H new ATOM 0 HD1 TYR A 74 12.177 2.169 1.070 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.482 -1.112 0.717 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.629 2.057 -1.419 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.943 -1.213 -1.771 1.00 0.00 H new ATOM 0 HH TYR A 74 12.462 0.670 -3.205 1.00 0.00 H new ATOM 1120 N PRO A 75 11.727 2.127 4.919 1.00 0.00 N ATOM 1121 CA PRO A 75 11.578 2.812 6.191 1.00 0.00 C ATOM 1122 C PRO A 75 10.101 2.970 6.559 1.00 0.00 C ATOM 1123 O PRO A 75 9.634 4.081 6.806 1.00 0.00 O ATOM 1124 CB PRO A 75 12.289 4.143 6.008 1.00 0.00 C ATOM 1125 CG PRO A 75 12.406 4.349 4.506 1.00 0.00 C ATOM 1126 CD PRO A 75 12.099 3.024 3.828 1.00 0.00 C ATOM 0 HA PRO A 75 12.012 2.255 7.021 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.726 4.954 6.471 1.00 0.00 H new ATOM 0 HB3 PRO A 75 13.272 4.129 6.478 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.711 5.119 4.171 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.408 4.688 4.244 1.00 0.00 H new ATOM 0 HD2 PRO A 75 11.289 3.127 3.106 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.965 2.648 3.284 1.00 0.00 H new ATOM 1134 N VAL A 76 9.407 1.841 6.584 1.00 0.00 N ATOM 1135 CA VAL A 76 7.993 1.840 6.918 1.00 0.00 C ATOM 1136 C VAL A 76 7.804 1.251 8.317 1.00 0.00 C ATOM 1137 O VAL A 76 8.749 0.733 8.909 1.00 0.00 O ATOM 1138 CB VAL A 76 7.202 1.091 5.843 1.00 0.00 C ATOM 1139 CG1 VAL A 76 7.395 -0.421 5.974 1.00 0.00 C ATOM 1140 CG2 VAL A 76 5.719 1.462 5.895 1.00 0.00 C ATOM 0 H VAL A 76 9.798 0.921 6.378 1.00 0.00 H new ATOM 0 HA VAL A 76 7.605 2.858 6.939 1.00 0.00 H new ATOM 0 HB VAL A 76 7.589 1.394 4.870 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.822 -0.929 5.198 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.452 -0.664 5.863 1.00 0.00 H new ATOM 0 HG13 VAL A 76 7.049 -0.748 6.954 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.180 0.916 5.121 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.313 1.202 6.872 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.606 2.533 5.729 1.00 0.00 H new ATOM 1150 N ASP A 77 6.576 1.352 8.806 1.00 0.00 N ATOM 1151 CA ASP A 77 6.251 0.836 10.125 1.00 0.00 C ATOM 1152 C ASP A 77 4.748 0.979 10.368 1.00 0.00 C ATOM 1153 O ASP A 77 4.134 1.949 9.926 1.00 0.00 O ATOM 1154 CB ASP A 77 6.984 1.617 11.218 1.00 0.00 C ATOM 1155 CG ASP A 77 6.765 3.131 11.188 1.00 0.00 C ATOM 1156 OD1 ASP A 77 5.585 3.535 11.268 1.00 0.00 O ATOM 1157 OD2 ASP A 77 7.783 3.849 11.084 1.00 0.00 O ATOM 0 H ASP A 77 5.795 1.783 8.312 1.00 0.00 H new ATOM 0 HA ASP A 77 6.557 -0.210 10.163 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.666 1.238 12.189 1.00 0.00 H new ATOM 0 HB3 ASP A 77 8.052 1.418 11.132 1.00 0.00 H new ATOM 1162 N ASP A 78 4.198 0.000 11.070 1.00 0.00 N ATOM 1163 CA ASP A 78 2.778 0.005 11.377 1.00 0.00 C ATOM 1164 C ASP A 78 2.352 1.419 11.775 1.00 0.00 C ATOM 1165 O ASP A 78 2.742 1.915 12.831 1.00 0.00 O ATOM 1166 CB ASP A 78 2.463 -0.930 12.547 1.00 0.00 C ATOM 1167 CG ASP A 78 3.557 -1.023 13.612 1.00 0.00 C ATOM 1168 OD1 ASP A 78 4.126 0.042 13.936 1.00 0.00 O ATOM 1169 OD2 ASP A 78 3.800 -2.157 14.079 1.00 0.00 O ATOM 0 H ASP A 78 4.710 -0.803 11.435 1.00 0.00 H new ATOM 0 HA ASP A 78 2.241 -0.333 10.491 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.541 -0.595 13.023 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.274 -1.929 12.154 1.00 0.00 H new ATOM 1174 N GLY A 79 1.557 2.030 10.908 1.00 0.00 N ATOM 1175 CA GLY A 79 1.073 3.377 11.156 1.00 0.00 C ATOM 1176 C GLY A 79 1.532 4.335 10.055 1.00 0.00 C ATOM 1177 O GLY A 79 1.131 5.498 10.032 1.00 0.00 O ATOM 0 H GLY A 79 1.236 1.616 10.033 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -0.016 3.372 11.209 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.437 3.726 12.122 1.00 0.00 H new ATOM 1181 N CYS A 80 2.367 3.812 9.170 1.00 0.00 N ATOM 1182 CA CYS A 80 2.885 4.606 8.069 1.00 0.00 C ATOM 1183 C CYS A 80 1.700 5.177 7.289 1.00 0.00 C ATOM 1184 O CYS A 80 0.561 5.117 7.750 1.00 0.00 O ATOM 1185 CB CYS A 80 3.819 3.790 7.172 1.00 0.00 C ATOM 1186 SG CYS A 80 2.838 2.744 6.036 1.00 0.00 S ATOM 0 H CYS A 80 2.698 2.847 9.193 1.00 0.00 H new ATOM 0 HA CYS A 80 3.489 5.424 8.461 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.463 4.458 6.600 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.470 3.166 7.783 1.00 0.00 H new ATOM 0 HG CYS A 80 3.393 2.741 4.860 1.00 0.00 H new ATOM 1192 N ARG A 81 2.007 5.718 6.119 1.00 0.00 N ATOM 1193 CA ARG A 81 0.981 6.299 5.270 1.00 0.00 C ATOM 1194 C ARG A 81 1.362 6.147 3.796 1.00 0.00 C ATOM 1195 O ARG A 81 2.312 6.774 3.329 1.00 0.00 O ATOM 1196 CB ARG A 81 0.779 7.783 5.587 1.00 0.00 C ATOM 1197 CG ARG A 81 -0.506 8.310 4.946 1.00 0.00 C ATOM 1198 CD ARG A 81 -0.472 9.834 4.822 1.00 0.00 C ATOM 1199 NE ARG A 81 -0.138 10.441 6.130 1.00 0.00 N ATOM 1200 CZ ARG A 81 -0.401 11.714 6.457 1.00 0.00 C ATOM 1201 NH1 ARG A 81 -1.003 12.522 5.574 1.00 0.00 N ATOM 1202 NH2 ARG A 81 -0.062 12.179 7.667 1.00 0.00 N ATOM 0 H ARG A 81 2.952 5.766 5.739 1.00 0.00 H new ATOM 0 HA ARG A 81 0.050 5.767 5.465 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.736 7.925 6.667 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.632 8.356 5.224 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.634 7.864 3.960 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.365 8.009 5.545 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.265 10.130 4.076 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.439 10.201 4.478 1.00 0.00 H new ATOM 0 HE ARG A 81 0.321 9.854 6.826 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.261 12.168 4.653 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.203 13.491 5.823 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.396 11.564 8.340 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.262 13.148 7.916 1.00 0.00 H new ATOM 1216 N ILE A 82 0.602 5.310 3.105 1.00 0.00 N ATOM 1217 CA ILE A 82 0.848 5.067 1.694 1.00 0.00 C ATOM 1218 C ILE A 82 -0.124 5.904 0.860 1.00 0.00 C ATOM 1219 O ILE A 82 -1.336 5.706 0.929 1.00 0.00 O ATOM 1220 CB ILE A 82 0.788 3.569 1.390 1.00 0.00 C ATOM 1221 CG1 ILE A 82 1.696 2.780 2.336 1.00 0.00 C ATOM 1222 CG2 ILE A 82 1.115 3.294 -0.080 1.00 0.00 C ATOM 1223 CD1 ILE A 82 3.144 2.794 1.845 1.00 0.00 C ATOM 0 H ILE A 82 -0.185 4.792 3.496 1.00 0.00 H new ATOM 0 HA ILE A 82 1.855 5.383 1.423 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.232 3.227 1.563 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.644 3.208 3.337 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.343 1.751 2.410 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.065 2.222 -0.269 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.394 3.808 -0.715 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.119 3.656 -0.303 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.768 2.226 2.535 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.197 2.343 0.854 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.501 3.823 1.795 1.00 0.00 H new ATOM 1235 N HIS A 83 0.444 6.821 0.090 1.00 0.00 N ATOM 1236 CA HIS A 83 -0.358 7.688 -0.757 1.00 0.00 C ATOM 1237 C HIS A 83 -0.402 7.121 -2.177 1.00 0.00 C ATOM 1238 O HIS A 83 0.636 6.794 -2.751 1.00 0.00 O ATOM 1239 CB HIS A 83 0.162 9.126 -0.708 1.00 0.00 C ATOM 1240 CG HIS A 83 -0.777 10.139 -1.318 1.00 0.00 C ATOM 1241 ND1 HIS A 83 -1.996 10.468 -0.752 1.00 0.00 N ATOM 1242 CD2 HIS A 83 -0.662 10.892 -2.450 1.00 0.00 C ATOM 1243 CE1 HIS A 83 -2.581 11.378 -1.517 1.00 0.00 C ATOM 1244 NE2 HIS A 83 -1.753 11.639 -2.569 1.00 0.00 N ATOM 0 H HIS A 83 1.450 6.982 0.035 1.00 0.00 H new ATOM 0 HA HIS A 83 -1.382 7.720 -0.385 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.349 9.399 0.331 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.119 9.174 -1.228 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.174 10.882 -3.133 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.544 11.833 -1.339 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.941 12.300 -3.323 1.00 0.00 H new ATOM 1252 N VAL A 84 -1.613 7.021 -2.703 1.00 0.00 N ATOM 1253 CA VAL A 84 -1.806 6.499 -4.045 1.00 0.00 C ATOM 1254 C VAL A 84 -2.045 7.662 -5.011 1.00 0.00 C ATOM 1255 O VAL A 84 -3.071 8.336 -4.933 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.942 5.474 -4.050 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -3.258 5.013 -5.475 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.610 4.283 -3.149 1.00 0.00 C ATOM 0 H VAL A 84 -2.471 7.293 -2.224 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.912 5.975 -4.383 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.832 5.959 -3.649 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.069 4.285 -5.450 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.559 5.871 -6.077 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.372 4.555 -5.914 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.434 3.570 -3.171 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.701 3.799 -3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.458 4.631 -2.127 1.00 0.00 H new ATOM 1268 N ILE A 85 -1.082 7.861 -5.898 1.00 0.00 N ATOM 1269 CA ILE A 85 -1.175 8.930 -6.877 1.00 0.00 C ATOM 1270 C ILE A 85 -2.029 8.463 -8.057 1.00 0.00 C ATOM 1271 O ILE A 85 -1.562 7.702 -8.903 1.00 0.00 O ATOM 1272 CB ILE A 85 0.220 9.411 -7.280 1.00 0.00 C ATOM 1273 CG1 ILE A 85 1.028 9.841 -6.053 1.00 0.00 C ATOM 1274 CG2 ILE A 85 0.136 10.522 -8.329 1.00 0.00 C ATOM 1275 CD1 ILE A 85 2.461 10.209 -6.442 1.00 0.00 C ATOM 0 H ILE A 85 -0.233 7.300 -5.959 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.674 9.798 -6.446 1.00 0.00 H new ATOM 0 HB ILE A 85 0.750 8.576 -7.738 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.546 10.695 -5.577 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.042 9.033 -5.321 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.142 10.846 -8.598 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.374 10.147 -9.216 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.420 11.366 -7.921 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.013 10.511 -5.552 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.948 9.346 -6.896 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.444 11.033 -7.155 1.00 0.00 H new ATOM 1287 N ASP A 86 -3.266 8.937 -8.076 1.00 0.00 N ATOM 1288 CA ASP A 86 -4.190 8.577 -9.138 1.00 0.00 C ATOM 1289 C ASP A 86 -3.553 8.898 -10.492 1.00 0.00 C ATOM 1290 O ASP A 86 -3.712 10.002 -11.010 1.00 0.00 O ATOM 1291 CB ASP A 86 -5.493 9.371 -9.028 1.00 0.00 C ATOM 1292 CG ASP A 86 -5.352 10.761 -8.404 1.00 0.00 C ATOM 1293 OD1 ASP A 86 -4.227 11.302 -8.470 1.00 0.00 O ATOM 1294 OD2 ASP A 86 -6.373 11.252 -7.874 1.00 0.00 O ATOM 0 H ASP A 86 -3.650 9.568 -7.372 1.00 0.00 H new ATOM 0 HA ASP A 86 -4.408 7.513 -9.049 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.921 9.478 -10.025 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.204 8.794 -8.436 1.00 0.00 H new ATOM 1299 N HIS A 87 -2.846 7.913 -11.026 1.00 0.00 N ATOM 1300 CA HIS A 87 -2.185 8.077 -12.310 1.00 0.00 C ATOM 1301 C HIS A 87 -3.007 7.388 -13.401 1.00 0.00 C ATOM 1302 O HIS A 87 -2.481 7.057 -14.463 1.00 0.00 O ATOM 1303 CB HIS A 87 -0.742 7.572 -12.246 1.00 0.00 C ATOM 1304 CG HIS A 87 0.291 8.671 -12.184 1.00 0.00 C ATOM 1305 ND1 HIS A 87 0.201 9.827 -12.940 1.00 0.00 N ATOM 1306 CD2 HIS A 87 1.435 8.779 -11.450 1.00 0.00 C ATOM 1307 CE1 HIS A 87 1.250 10.589 -12.666 1.00 0.00 C ATOM 1308 NE2 HIS A 87 2.014 9.937 -11.742 1.00 0.00 N ATOM 0 H HIS A 87 -2.716 6.999 -10.593 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.127 9.136 -12.562 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.630 6.933 -11.370 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -0.546 6.952 -13.121 1.00 0.00 H new ATOM 0 HD2 HIS A 87 1.807 8.046 -10.749 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.463 11.556 -13.098 1.00 0.00 H new ATOM 0 HE2 HIS A 87 2.886 10.283 -11.342 1.00 0.00 H new