USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 712 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 ASN : amide:sc= -0.53 K(o=-0.53,f=-3.8!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00478 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -114:sc= 1.3 (180deg=0.667) USER MOD Single : A 22 ASN : amide:sc= -1.32 K(o=-1.3,f=-4!) USER MOD Single : A 23 TYR OH : rot -31:sc= 0.246 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0726 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.096) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.269 K(o=-0.27,f=-3.2!) USER MOD Single : A 48 LYS NZ :NH3+ 177:sc= -0.0102 (180deg=-0.042) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 76 ASN : amide:sc= -0.496 X(o=-0.5,f=-0.43) USER MOD Single : A 89 TYR OH : rot 30:sc= 0 USER MOD Single : A 90 SER OG : rot 124:sc= 2.13 USER MOD Single : A 91 SER OG : rot 180:sc= 1.38 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0557) USER MOD Single : A 98 THR OG1 : rot 118:sc= 0.977 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 37:sc= 0.87 USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.269 USER MOD ----------------------------------------------------------------- ATOM 27 N ILE A 3 8.018 -0.987 10.007 1.00 0.00 N ATOM 28 CA ILE A 3 6.635 -1.412 10.140 1.00 0.00 C ATOM 29 C ILE A 3 6.106 -1.848 8.772 1.00 0.00 C ATOM 30 O ILE A 3 6.246 -1.123 7.789 1.00 0.00 O ATOM 31 CB ILE A 3 5.799 -0.316 10.803 1.00 0.00 C ATOM 32 CG1 ILE A 3 6.452 0.163 12.101 1.00 0.00 C ATOM 33 CG2 ILE A 3 4.358 -0.783 11.024 1.00 0.00 C ATOM 34 CD1 ILE A 3 6.679 -1.005 13.063 1.00 0.00 C ATOM 0 HA ILE A 3 6.564 -2.277 10.799 1.00 0.00 H new ATOM 0 HB ILE A 3 5.760 0.539 10.128 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.404 0.645 11.877 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.819 0.912 12.576 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.785 0.015 11.497 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.906 -1.035 10.065 1.00 0.00 H new ATOM 0 HG23 ILE A 3 4.355 -1.662 11.668 1.00 0.00 H new ATOM 0 HD11 ILE A 3 7.144 -0.638 13.978 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.723 -1.469 13.303 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.332 -1.741 12.594 1.00 0.00 H new ATOM 46 N ASN A 4 5.508 -3.030 8.754 1.00 0.00 N ATOM 47 CA ASN A 4 5.212 -3.699 7.499 1.00 0.00 C ATOM 48 C ASN A 4 4.109 -4.735 7.725 1.00 0.00 C ATOM 49 O ASN A 4 4.153 -5.828 7.163 1.00 0.00 O ATOM 50 CB ASN A 4 6.444 -4.431 6.961 1.00 0.00 C ATOM 51 CG ASN A 4 6.837 -5.590 7.880 1.00 0.00 C ATOM 52 OD1 ASN A 4 6.579 -5.586 9.072 1.00 0.00 O ATOM 53 ND2 ASN A 4 7.475 -6.579 7.260 1.00 0.00 N ATOM 0 H ASN A 4 5.221 -3.541 9.588 1.00 0.00 H new ATOM 0 HA ASN A 4 4.899 -2.942 6.780 1.00 0.00 H new ATOM 0 HB2 ASN A 4 6.238 -4.810 5.960 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.277 -3.733 6.873 1.00 0.00 H new ATOM 0 HD21 ASN A 4 7.780 -7.398 7.786 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.659 -6.518 6.259 1.00 0.00 H new ATOM 60 N THR A 5 3.144 -4.354 8.550 1.00 0.00 N ATOM 61 CA THR A 5 1.991 -5.203 8.795 1.00 0.00 C ATOM 62 C THR A 5 0.696 -4.437 8.515 1.00 0.00 C ATOM 63 O THR A 5 0.705 -3.211 8.416 1.00 0.00 O ATOM 64 CB THR A 5 2.087 -5.729 10.229 1.00 0.00 C ATOM 65 OG1 THR A 5 2.072 -4.553 11.033 1.00 0.00 O ATOM 66 CG2 THR A 5 3.445 -6.368 10.528 1.00 0.00 C ATOM 0 H THR A 5 3.137 -3.469 9.057 1.00 0.00 H new ATOM 0 HA THR A 5 1.979 -6.058 8.120 1.00 0.00 H new ATOM 0 HB THR A 5 1.296 -6.459 10.401 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.129 -4.803 11.979 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.460 -6.725 11.558 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.610 -7.206 9.851 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.234 -5.629 10.388 1.00 0.00 H new ATOM 74 N PHE A 6 -0.386 -5.192 8.395 1.00 0.00 N ATOM 75 CA PHE A 6 -1.673 -4.607 8.062 1.00 0.00 C ATOM 76 C PHE A 6 -2.125 -3.623 9.144 1.00 0.00 C ATOM 77 O PHE A 6 -2.486 -2.486 8.842 1.00 0.00 O ATOM 78 CB PHE A 6 -2.680 -5.756 7.983 1.00 0.00 C ATOM 79 CG PHE A 6 -2.402 -6.750 6.853 1.00 0.00 C ATOM 80 CD1 PHE A 6 -2.491 -6.349 5.557 1.00 0.00 C ATOM 81 CD2 PHE A 6 -2.065 -8.035 7.146 1.00 0.00 C ATOM 82 CE1 PHE A 6 -2.233 -7.271 4.509 1.00 0.00 C ATOM 83 CE2 PHE A 6 -1.807 -8.957 6.098 1.00 0.00 C ATOM 84 CZ PHE A 6 -1.897 -8.556 4.801 1.00 0.00 C ATOM 0 H PHE A 6 -0.398 -6.204 8.523 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.601 -4.063 7.120 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.680 -6.291 8.932 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.679 -5.341 7.851 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.758 -5.329 5.325 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.994 -8.354 8.176 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -2.304 -6.952 3.480 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.539 -9.977 6.330 1.00 0.00 H new ATOM 0 HZ PHE A 6 -1.702 -9.258 4.004 1.00 0.00 H new ATOM 94 N ASP A 7 -2.090 -4.096 10.381 1.00 0.00 N ATOM 95 CA ASP A 7 -2.517 -3.281 11.506 1.00 0.00 C ATOM 96 C ASP A 7 -1.488 -2.176 11.750 1.00 0.00 C ATOM 97 O ASP A 7 -1.848 -1.053 12.099 1.00 0.00 O ATOM 98 CB ASP A 7 -2.624 -4.118 12.782 1.00 0.00 C ATOM 99 CG ASP A 7 -3.596 -5.296 12.704 1.00 0.00 C ATOM 100 OD1 ASP A 7 -4.553 -5.190 11.906 1.00 0.00 O ATOM 101 OD2 ASP A 7 -3.361 -6.277 13.443 1.00 0.00 O ATOM 0 H ASP A 7 -1.773 -5.033 10.629 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.494 -2.861 11.267 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.634 -4.500 13.032 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -2.931 -3.467 13.601 1.00 0.00 H new ATOM 106 N GLY A 8 -0.226 -2.533 11.556 1.00 0.00 N ATOM 107 CA GLY A 8 0.867 -1.653 11.932 1.00 0.00 C ATOM 108 C GLY A 8 0.889 -0.400 11.054 1.00 0.00 C ATOM 109 O GLY A 8 0.970 0.717 11.562 1.00 0.00 O ATOM 0 H GLY A 8 0.063 -3.420 11.143 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.764 -1.366 12.979 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.815 -2.184 11.838 1.00 0.00 H new ATOM 113 N VAL A 9 0.817 -0.628 9.751 1.00 0.00 N ATOM 114 CA VAL A 9 0.826 0.468 8.797 1.00 0.00 C ATOM 115 C VAL A 9 -0.482 1.252 8.917 1.00 0.00 C ATOM 116 O VAL A 9 -0.482 2.481 8.853 1.00 0.00 O ATOM 117 CB VAL A 9 1.074 -0.068 7.386 1.00 0.00 C ATOM 118 CG1 VAL A 9 0.915 1.040 6.343 1.00 0.00 C ATOM 119 CG2 VAL A 9 2.453 -0.723 7.284 1.00 0.00 C ATOM 0 H VAL A 9 0.752 -1.556 9.333 1.00 0.00 H new ATOM 0 HA VAL A 9 1.641 1.158 9.015 1.00 0.00 H new ATOM 0 HB VAL A 9 0.324 -0.832 7.180 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.097 0.632 5.349 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.097 1.442 6.391 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.632 1.836 6.545 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.605 -1.096 6.271 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.223 0.012 7.519 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.515 -1.552 7.989 1.00 0.00 H new ATOM 129 N ALA A 10 -1.567 0.511 9.089 1.00 0.00 N ATOM 130 CA ALA A 10 -2.877 1.122 9.233 1.00 0.00 C ATOM 131 C ALA A 10 -2.854 2.094 10.415 1.00 0.00 C ATOM 132 O ALA A 10 -3.471 3.156 10.362 1.00 0.00 O ATOM 133 CB ALA A 10 -3.935 0.029 9.398 1.00 0.00 C ATOM 0 H ALA A 10 -1.565 -0.508 9.132 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.134 1.693 8.341 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.918 0.487 9.506 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.931 -0.617 8.520 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.711 -0.563 10.285 1.00 0.00 H new ATOM 139 N ASP A 11 -2.134 1.695 11.454 1.00 0.00 N ATOM 140 CA ASP A 11 -2.055 2.499 12.662 1.00 0.00 C ATOM 141 C ASP A 11 -1.375 3.831 12.339 1.00 0.00 C ATOM 142 O ASP A 11 -1.858 4.891 12.735 1.00 0.00 O ATOM 143 CB ASP A 11 -1.229 1.794 13.739 1.00 0.00 C ATOM 144 CG ASP A 11 -2.033 1.262 14.927 1.00 0.00 C ATOM 145 OD1 ASP A 11 -2.472 2.106 15.738 1.00 0.00 O ATOM 146 OD2 ASP A 11 -2.190 0.024 14.997 1.00 0.00 O ATOM 0 H ASP A 11 -1.601 0.826 11.484 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.069 2.656 13.031 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.695 0.962 13.279 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.476 2.489 14.111 1.00 0.00 H new ATOM 151 N TYR A 12 -0.264 3.733 11.625 1.00 0.00 N ATOM 152 CA TYR A 12 0.507 4.914 11.274 1.00 0.00 C ATOM 153 C TYR A 12 -0.332 5.892 10.450 1.00 0.00 C ATOM 154 O TYR A 12 -0.253 7.104 10.647 1.00 0.00 O ATOM 155 CB TYR A 12 1.675 4.417 10.421 1.00 0.00 C ATOM 156 CG TYR A 12 2.975 4.213 11.202 1.00 0.00 C ATOM 157 CD1 TYR A 12 3.013 3.324 12.257 1.00 0.00 C ATOM 158 CD2 TYR A 12 4.109 4.918 10.852 1.00 0.00 C ATOM 159 CE1 TYR A 12 4.236 3.132 12.992 1.00 0.00 C ATOM 160 CE2 TYR A 12 5.332 4.726 11.588 1.00 0.00 C ATOM 161 CZ TYR A 12 5.335 3.842 12.622 1.00 0.00 C ATOM 162 OH TYR A 12 6.490 3.660 13.316 1.00 0.00 O ATOM 0 H TYR A 12 0.121 2.854 11.280 1.00 0.00 H new ATOM 0 HA TYR A 12 0.838 5.437 12.171 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.393 3.474 9.952 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.854 5.131 9.618 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.126 2.773 12.531 1.00 0.00 H new ATOM 0 HD2 TYR A 12 4.079 5.614 10.026 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.280 2.439 13.819 1.00 0.00 H new ATOM 0 HE2 TYR A 12 6.226 5.271 11.325 1.00 0.00 H new ATOM 0 HH TYR A 12 7.191 4.232 12.940 1.00 0.00 H new ATOM 172 N LEU A 13 -1.117 5.329 9.542 1.00 0.00 N ATOM 173 CA LEU A 13 -2.031 6.129 8.744 1.00 0.00 C ATOM 174 C LEU A 13 -2.968 6.904 9.672 1.00 0.00 C ATOM 175 O LEU A 13 -3.020 8.132 9.623 1.00 0.00 O ATOM 176 CB LEU A 13 -2.762 5.251 7.726 1.00 0.00 C ATOM 177 CG LEU A 13 -1.988 4.919 6.449 1.00 0.00 C ATOM 178 CD1 LEU A 13 -2.207 3.462 6.037 1.00 0.00 C ATOM 179 CD2 LEU A 13 -2.345 5.892 5.323 1.00 0.00 C ATOM 0 H LEU A 13 -1.139 4.329 9.342 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.481 6.866 8.159 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.037 4.316 8.214 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.690 5.750 7.446 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.924 5.039 6.654 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.645 3.253 5.126 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.864 2.803 6.834 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.268 3.291 5.856 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.781 5.634 4.427 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.412 5.828 5.111 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.096 6.908 5.628 1.00 0.00 H new ATOM 191 N ILE A 14 -3.684 6.155 10.498 1.00 0.00 N ATOM 192 CA ILE A 14 -4.687 6.748 11.366 1.00 0.00 C ATOM 193 C ILE A 14 -4.042 7.854 12.203 1.00 0.00 C ATOM 194 O ILE A 14 -4.636 8.912 12.405 1.00 0.00 O ATOM 195 CB ILE A 14 -5.378 5.668 12.201 1.00 0.00 C ATOM 196 CG1 ILE A 14 -6.343 4.846 11.345 1.00 0.00 C ATOM 197 CG2 ILE A 14 -6.072 6.279 13.421 1.00 0.00 C ATOM 198 CD1 ILE A 14 -7.676 5.575 11.167 1.00 0.00 C ATOM 0 H ILE A 14 -3.589 5.143 10.584 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.475 7.214 10.775 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.615 4.984 12.573 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.896 4.654 10.369 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.514 3.877 11.813 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.555 5.490 13.998 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.334 6.784 14.044 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.821 6.998 13.091 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.343 4.969 10.555 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -8.132 5.743 12.143 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.504 6.533 10.677 1.00 0.00 H new ATOM 210 N ARG A 15 -2.833 7.572 12.668 1.00 0.00 N ATOM 211 CA ARG A 15 -2.191 8.427 13.650 1.00 0.00 C ATOM 212 C ARG A 15 -1.701 9.718 12.991 1.00 0.00 C ATOM 213 O ARG A 15 -2.175 10.805 13.317 1.00 0.00 O ATOM 214 CB ARG A 15 -1.006 7.717 14.308 1.00 0.00 C ATOM 215 CG ARG A 15 -0.891 8.097 15.786 1.00 0.00 C ATOM 216 CD ARG A 15 0.309 7.406 16.438 1.00 0.00 C ATOM 217 NE ARG A 15 -0.056 6.926 17.789 1.00 0.00 N ATOM 218 CZ ARG A 15 -0.685 5.767 18.030 1.00 0.00 C ATOM 219 NH1 ARG A 15 -1.143 5.028 17.010 1.00 0.00 N ATOM 220 NH2 ARG A 15 -0.855 5.347 19.291 1.00 0.00 N ATOM 0 H ARG A 15 -2.282 6.763 12.382 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.929 8.664 14.416 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.127 6.638 14.215 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.085 7.981 13.788 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.788 9.178 15.880 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.805 7.817 16.309 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.636 6.569 15.822 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.147 8.100 16.504 1.00 0.00 H new ATOM 0 HE ARG A 15 0.186 7.514 18.587 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.013 5.347 16.050 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.622 4.146 17.194 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.506 5.909 20.067 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.334 4.465 19.475 1.00 0.00 H new ATOM 234 N TYR A 16 -0.758 9.555 12.074 1.00 0.00 N ATOM 235 CA TYR A 16 -0.018 10.692 11.551 1.00 0.00 C ATOM 236 C TYR A 16 -0.671 11.231 10.277 1.00 0.00 C ATOM 237 O TYR A 16 -0.257 12.263 9.752 1.00 0.00 O ATOM 238 CB TYR A 16 1.378 10.167 11.213 1.00 0.00 C ATOM 239 CG TYR A 16 2.071 9.448 12.372 1.00 0.00 C ATOM 240 CD1 TYR A 16 2.319 10.120 13.552 1.00 0.00 C ATOM 241 CD2 TYR A 16 2.447 8.127 12.239 1.00 0.00 C ATOM 242 CE1 TYR A 16 2.970 9.443 14.643 1.00 0.00 C ATOM 243 CE2 TYR A 16 3.099 7.450 13.330 1.00 0.00 C ATOM 244 CZ TYR A 16 3.328 8.141 14.478 1.00 0.00 C ATOM 245 OH TYR A 16 3.944 7.502 15.509 1.00 0.00 O ATOM 0 H TYR A 16 -0.489 8.653 11.680 1.00 0.00 H new ATOM 0 HA TYR A 16 0.006 11.503 12.279 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.303 9.483 10.368 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.001 11.002 10.893 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.025 11.154 13.657 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.252 7.601 11.316 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.170 9.957 15.572 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.399 6.417 13.238 1.00 0.00 H new ATOM 0 HH TYR A 16 4.141 6.578 15.250 1.00 0.00 H new ATOM 255 N LYS A 17 -1.680 10.506 9.815 1.00 0.00 N ATOM 256 CA LYS A 17 -2.381 10.888 8.601 1.00 0.00 C ATOM 257 C LYS A 17 -1.415 10.822 7.416 1.00 0.00 C ATOM 258 O LYS A 17 -1.479 11.652 6.511 1.00 0.00 O ATOM 259 CB LYS A 17 -3.048 12.254 8.775 1.00 0.00 C ATOM 260 CG LYS A 17 -4.545 12.102 9.051 1.00 0.00 C ATOM 261 CD LYS A 17 -4.788 11.398 10.388 1.00 0.00 C ATOM 262 CE LYS A 17 -4.488 12.332 11.561 1.00 0.00 C ATOM 263 NZ LYS A 17 -4.844 11.685 12.843 1.00 0.00 N ATOM 0 H LYS A 17 -2.028 9.657 10.260 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.190 10.188 8.392 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.576 12.791 9.597 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.899 12.852 7.876 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.018 13.084 9.062 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.011 11.533 8.246 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.823 11.060 10.443 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.159 10.510 10.455 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.431 12.596 11.562 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.049 13.260 11.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.635 12.197 13.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.125 10.699 12.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.023 11.703 13.481 1.00 0.00 H new ATOM 277 N ARG A 18 -0.541 9.827 7.461 1.00 0.00 N ATOM 278 CA ARG A 18 0.277 9.497 6.307 1.00 0.00 C ATOM 279 C ARG A 18 0.932 8.127 6.495 1.00 0.00 C ATOM 280 O ARG A 18 0.861 7.544 7.575 1.00 0.00 O ATOM 281 CB ARG A 18 1.366 10.549 6.084 1.00 0.00 C ATOM 282 CG ARG A 18 2.054 10.912 7.401 1.00 0.00 C ATOM 283 CD ARG A 18 3.343 11.696 7.148 1.00 0.00 C ATOM 284 NE ARG A 18 3.024 13.023 6.575 1.00 0.00 N ATOM 285 CZ ARG A 18 3.943 13.883 6.115 1.00 0.00 C ATOM 286 NH1 ARG A 18 5.246 13.594 6.224 1.00 0.00 N ATOM 287 NH2 ARG A 18 3.558 15.033 5.545 1.00 0.00 N ATOM 0 H ARG A 18 -0.382 9.239 8.279 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.375 9.475 5.434 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.104 10.170 5.376 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.928 11.443 5.640 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.378 11.505 8.017 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.280 10.004 7.960 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.894 11.816 8.081 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.988 11.142 6.466 1.00 0.00 H new ATOM 0 HE ARG A 18 2.044 13.300 6.527 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.540 12.719 6.657 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.945 14.249 5.874 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.566 15.254 5.461 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.257 15.688 5.195 1.00 0.00 H new ATOM 301 N LEU A 19 1.555 7.653 5.426 1.00 0.00 N ATOM 302 CA LEU A 19 2.354 6.442 5.501 1.00 0.00 C ATOM 303 C LEU A 19 3.600 6.709 6.349 1.00 0.00 C ATOM 304 O LEU A 19 3.897 7.857 6.677 1.00 0.00 O ATOM 305 CB LEU A 19 2.666 5.918 4.098 1.00 0.00 C ATOM 306 CG LEU A 19 1.536 5.158 3.399 1.00 0.00 C ATOM 307 CD1 LEU A 19 1.847 4.957 1.915 1.00 0.00 C ATOM 308 CD2 LEU A 19 1.245 3.834 4.109 1.00 0.00 C ATOM 0 H LEU A 19 1.522 8.086 4.503 1.00 0.00 H new ATOM 0 HA LEU A 19 1.795 5.648 5.996 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.951 6.763 3.471 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.534 5.261 4.162 1.00 0.00 H new ATOM 0 HG LEU A 19 0.630 5.761 3.459 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.028 4.415 1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.965 5.928 1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.769 4.385 1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.438 3.314 3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.141 3.213 4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.948 4.031 5.139 1.00 0.00 H new ATOM 320 N PRO A 20 4.313 5.602 6.687 1.00 0.00 N ATOM 321 CA PRO A 20 5.704 5.704 7.096 1.00 0.00 C ATOM 322 C PRO A 20 6.612 5.963 5.893 1.00 0.00 C ATOM 323 O PRO A 20 6.194 5.796 4.748 1.00 0.00 O ATOM 324 CB PRO A 20 6.005 4.389 7.796 1.00 0.00 C ATOM 325 CG PRO A 20 4.923 3.420 7.347 1.00 0.00 C ATOM 326 CD PRO A 20 3.817 4.229 6.690 1.00 0.00 C ATOM 0 HA PRO A 20 5.886 6.546 7.764 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.995 4.021 7.527 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.994 4.512 8.879 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.330 2.691 6.647 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.533 2.861 8.198 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.618 3.878 5.678 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.883 4.147 7.246 1.00 0.00 H new ATOM 334 N ASP A 21 7.837 6.367 6.192 1.00 0.00 N ATOM 335 CA ASP A 21 8.715 6.916 5.173 1.00 0.00 C ATOM 336 C ASP A 21 9.530 5.784 4.544 1.00 0.00 C ATOM 337 O ASP A 21 10.394 6.030 3.703 1.00 0.00 O ATOM 338 CB ASP A 21 9.694 7.926 5.774 1.00 0.00 C ATOM 339 CG ASP A 21 10.500 8.732 4.754 1.00 0.00 C ATOM 340 OD1 ASP A 21 9.860 9.287 3.835 1.00 0.00 O ATOM 341 OD2 ASP A 21 11.739 8.775 4.916 1.00 0.00 O ATOM 0 H ASP A 21 8.243 6.325 7.127 1.00 0.00 H new ATOM 0 HA ASP A 21 8.095 7.415 4.428 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.136 8.619 6.403 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.388 7.394 6.424 1.00 0.00 H new ATOM 346 N ASN A 22 9.227 4.569 4.976 1.00 0.00 N ATOM 347 CA ASN A 22 9.914 3.398 4.458 1.00 0.00 C ATOM 348 C ASN A 22 9.354 3.053 3.077 1.00 0.00 C ATOM 349 O ASN A 22 9.931 2.242 2.354 1.00 0.00 O ATOM 350 CB ASN A 22 9.702 2.188 5.370 1.00 0.00 C ATOM 351 CG ASN A 22 8.256 1.694 5.299 1.00 0.00 C ATOM 352 OD1 ASN A 22 7.308 2.463 5.324 1.00 0.00 O ATOM 353 ND2 ASN A 22 8.139 0.372 5.211 1.00 0.00 N ATOM 0 H ASN A 22 8.515 4.370 5.679 1.00 0.00 H new ATOM 0 HA ASN A 22 10.978 3.627 4.404 1.00 0.00 H new ATOM 0 HB2 ASN A 22 10.379 1.385 5.078 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.949 2.455 6.398 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.215 -0.056 5.160 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.974 -0.214 5.195 1.00 0.00 H new ATOM 360 N TYR A 23 8.237 3.686 2.751 1.00 0.00 N ATOM 361 CA TYR A 23 7.608 3.477 1.458 1.00 0.00 C ATOM 362 C TYR A 23 8.046 4.547 0.456 1.00 0.00 C ATOM 363 O TYR A 23 7.708 5.720 0.608 1.00 0.00 O ATOM 364 CB TYR A 23 6.102 3.604 1.696 1.00 0.00 C ATOM 365 CG TYR A 23 5.483 2.407 2.421 1.00 0.00 C ATOM 366 CD1 TYR A 23 5.440 1.173 1.803 1.00 0.00 C ATOM 367 CD2 TYR A 23 4.969 2.560 3.692 1.00 0.00 C ATOM 368 CE1 TYR A 23 4.857 0.047 2.485 1.00 0.00 C ATOM 369 CE2 TYR A 23 4.386 1.433 4.374 1.00 0.00 C ATOM 370 CZ TYR A 23 4.359 0.232 3.737 1.00 0.00 C ATOM 371 OH TYR A 23 3.810 -0.832 4.381 1.00 0.00 O ATOM 0 H TYR A 23 7.751 4.344 3.360 1.00 0.00 H new ATOM 0 HA TYR A 23 7.886 2.506 1.049 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.911 4.506 2.277 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.602 3.732 0.736 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.844 1.053 0.808 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.004 3.525 4.176 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.816 -0.923 2.013 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.979 1.540 5.369 1.00 0.00 H new ATOM 0 HH TYR A 23 3.408 -1.440 3.725 1.00 0.00 H new ATOM 381 N ILE A 24 8.790 4.104 -0.547 1.00 0.00 N ATOM 382 CA ILE A 24 9.003 4.913 -1.735 1.00 0.00 C ATOM 383 C ILE A 24 7.906 4.607 -2.757 1.00 0.00 C ATOM 384 O ILE A 24 7.118 3.682 -2.570 1.00 0.00 O ATOM 385 CB ILE A 24 10.420 4.710 -2.274 1.00 0.00 C ATOM 386 CG1 ILE A 24 10.642 3.258 -2.703 1.00 0.00 C ATOM 387 CG2 ILE A 24 11.465 5.173 -1.257 1.00 0.00 C ATOM 388 CD1 ILE A 24 11.759 3.157 -3.743 1.00 0.00 C ATOM 0 H ILE A 24 9.253 3.195 -0.561 1.00 0.00 H new ATOM 0 HA ILE A 24 8.928 5.973 -1.493 1.00 0.00 H new ATOM 0 HB ILE A 24 10.539 5.330 -3.163 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.895 2.653 -1.833 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.718 2.852 -3.116 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.464 5.018 -1.665 1.00 0.00 H new ATOM 0 HG22 ILE A 24 11.321 6.232 -1.044 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.356 4.599 -0.337 1.00 0.00 H new ATOM 0 HD11 ILE A 24 11.896 2.114 -4.030 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.492 3.743 -4.622 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.687 3.541 -3.319 1.00 0.00 H new ATOM 400 N THR A 25 7.891 5.403 -3.817 1.00 0.00 N ATOM 401 CA THR A 25 6.926 5.208 -4.885 1.00 0.00 C ATOM 402 C THR A 25 7.537 4.368 -6.009 1.00 0.00 C ATOM 403 O THR A 25 8.729 4.068 -5.986 1.00 0.00 O ATOM 404 CB THR A 25 6.448 6.586 -5.348 1.00 0.00 C ATOM 405 OG1 THR A 25 7.618 7.398 -5.287 1.00 0.00 O ATOM 406 CG2 THR A 25 5.489 7.239 -4.350 1.00 0.00 C ATOM 0 H THR A 25 8.532 6.184 -3.958 1.00 0.00 H new ATOM 0 HA THR A 25 6.059 4.647 -4.537 1.00 0.00 H new ATOM 0 HB THR A 25 5.956 6.493 -6.316 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.399 8.309 -5.573 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.180 8.214 -4.727 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.611 6.605 -4.221 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.991 7.363 -3.391 1.00 0.00 H new ATOM 414 N LYS A 26 6.691 4.013 -6.965 1.00 0.00 N ATOM 415 CA LYS A 26 7.156 3.324 -8.157 1.00 0.00 C ATOM 416 C LYS A 26 8.280 4.135 -8.804 1.00 0.00 C ATOM 417 O LYS A 26 9.331 3.591 -9.137 1.00 0.00 O ATOM 418 CB LYS A 26 5.986 3.033 -9.098 1.00 0.00 C ATOM 419 CG LYS A 26 4.947 2.136 -8.422 1.00 0.00 C ATOM 420 CD LYS A 26 5.206 0.662 -8.738 1.00 0.00 C ATOM 421 CE LYS A 26 4.810 0.332 -10.179 1.00 0.00 C ATOM 422 NZ LYS A 26 4.244 -1.033 -10.261 1.00 0.00 N ATOM 0 H LYS A 26 5.687 4.189 -6.938 1.00 0.00 H new ATOM 0 HA LYS A 26 7.574 2.352 -7.897 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.519 3.969 -9.404 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.354 2.550 -10.003 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.975 2.291 -7.343 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.948 2.414 -8.758 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.261 0.434 -8.586 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.641 0.034 -8.049 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.079 1.057 -10.537 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.681 0.410 -10.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.981 -1.241 -11.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.953 -1.723 -9.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.400 -1.096 -9.656 1.00 0.00 H new ATOM 436 N SER A 27 8.019 5.425 -8.964 1.00 0.00 N ATOM 437 CA SER A 27 8.895 6.273 -9.753 1.00 0.00 C ATOM 438 C SER A 27 10.307 6.260 -9.162 1.00 0.00 C ATOM 439 O SER A 27 11.290 6.357 -9.894 1.00 0.00 O ATOM 440 CB SER A 27 8.361 7.706 -9.819 1.00 0.00 C ATOM 441 OG SER A 27 7.137 7.786 -10.544 1.00 0.00 O ATOM 0 H SER A 27 7.213 5.903 -8.560 1.00 0.00 H new ATOM 0 HA SER A 27 8.929 5.879 -10.769 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.209 8.083 -8.808 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.104 8.349 -10.290 1.00 0.00 H new ATOM 0 HG SER A 27 6.828 8.716 -10.562 1.00 0.00 H new ATOM 447 N GLN A 28 10.361 6.140 -7.844 1.00 0.00 N ATOM 448 CA GLN A 28 11.632 6.180 -7.140 1.00 0.00 C ATOM 449 C GLN A 28 12.422 4.896 -7.398 1.00 0.00 C ATOM 450 O GLN A 28 13.615 4.945 -7.695 1.00 0.00 O ATOM 451 CB GLN A 28 11.422 6.403 -5.641 1.00 0.00 C ATOM 452 CG GLN A 28 10.868 7.803 -5.368 1.00 0.00 C ATOM 453 CD GLN A 28 11.956 8.866 -5.538 1.00 0.00 C ATOM 454 OE1 GLN A 28 12.820 9.047 -4.695 1.00 0.00 O ATOM 455 NE2 GLN A 28 11.866 9.556 -6.671 1.00 0.00 N ATOM 0 H GLN A 28 9.545 6.015 -7.245 1.00 0.00 H new ATOM 0 HA GLN A 28 12.210 7.022 -7.521 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.734 5.653 -5.251 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.367 6.273 -5.114 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.042 8.010 -6.049 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.466 7.848 -4.356 1.00 0.00 H new ATOM 0 HE21 GLN A 28 11.117 9.353 -7.334 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.546 10.288 -6.878 1.00 0.00 H new ATOM 464 N ALA A 29 11.725 3.776 -7.276 1.00 0.00 N ATOM 465 CA ALA A 29 12.332 2.483 -7.547 1.00 0.00 C ATOM 466 C ALA A 29 12.877 2.471 -8.976 1.00 0.00 C ATOM 467 O ALA A 29 14.007 2.043 -9.210 1.00 0.00 O ATOM 468 CB ALA A 29 11.304 1.376 -7.306 1.00 0.00 C ATOM 0 H ALA A 29 10.746 3.737 -6.993 1.00 0.00 H new ATOM 0 HA ALA A 29 13.169 2.303 -6.873 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.759 0.407 -7.509 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.969 1.410 -6.269 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.450 1.522 -7.968 1.00 0.00 H new ATOM 474 N SER A 30 12.050 2.945 -9.896 1.00 0.00 N ATOM 475 CA SER A 30 12.405 2.924 -11.305 1.00 0.00 C ATOM 476 C SER A 30 13.665 3.758 -11.539 1.00 0.00 C ATOM 477 O SER A 30 14.540 3.364 -12.309 1.00 0.00 O ATOM 478 CB SER A 30 11.255 3.444 -12.170 1.00 0.00 C ATOM 479 OG SER A 30 10.484 2.383 -12.727 1.00 0.00 O ATOM 0 H SER A 30 11.134 3.346 -9.693 1.00 0.00 H new ATOM 0 HA SER A 30 12.602 1.891 -11.593 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.610 4.084 -11.568 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.656 4.061 -12.974 1.00 0.00 H new ATOM 0 HG SER A 30 9.759 2.756 -13.271 1.00 0.00 H new ATOM 485 N ALA A 31 13.719 4.895 -10.862 1.00 0.00 N ATOM 486 CA ALA A 31 14.849 5.798 -11.002 1.00 0.00 C ATOM 487 C ALA A 31 16.114 5.107 -10.489 1.00 0.00 C ATOM 488 O ALA A 31 17.193 5.282 -11.053 1.00 0.00 O ATOM 489 CB ALA A 31 14.555 7.103 -10.259 1.00 0.00 C ATOM 0 H ALA A 31 12.998 5.212 -10.214 1.00 0.00 H new ATOM 0 HA ALA A 31 15.012 6.050 -12.050 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.403 7.780 -10.364 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.664 7.569 -10.680 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.389 6.891 -9.203 1.00 0.00 H new ATOM 495 N LEU A 32 15.940 4.337 -9.425 1.00 0.00 N ATOM 496 CA LEU A 32 17.061 3.653 -8.804 1.00 0.00 C ATOM 497 C LEU A 32 17.500 2.490 -9.696 1.00 0.00 C ATOM 498 O LEU A 32 18.593 1.952 -9.527 1.00 0.00 O ATOM 499 CB LEU A 32 16.710 3.235 -7.375 1.00 0.00 C ATOM 500 CG LEU A 32 16.560 4.371 -6.361 1.00 0.00 C ATOM 501 CD1 LEU A 32 15.764 3.912 -5.138 1.00 0.00 C ATOM 502 CD2 LEU A 32 17.924 4.944 -5.975 1.00 0.00 C ATOM 0 H LEU A 32 15.039 4.172 -8.977 1.00 0.00 H new ATOM 0 HA LEU A 32 17.914 4.325 -8.713 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.777 2.672 -7.401 1.00 0.00 H new ATOM 0 HB3 LEU A 32 17.482 2.555 -7.017 1.00 0.00 H new ATOM 0 HG LEU A 32 15.994 5.176 -6.830 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.672 4.738 -4.433 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.771 3.589 -5.450 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.281 3.081 -4.658 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.789 5.750 -5.253 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.536 4.159 -5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 32 18.420 5.333 -6.864 1.00 0.00 H new ATOM 514 N GLY A 33 16.625 2.135 -10.625 1.00 0.00 N ATOM 515 CA GLY A 33 17.002 1.241 -11.706 1.00 0.00 C ATOM 516 C GLY A 33 16.236 -0.081 -11.616 1.00 0.00 C ATOM 517 O GLY A 33 16.507 -1.012 -12.373 1.00 0.00 O ATOM 0 H GLY A 33 15.655 2.451 -10.651 1.00 0.00 H new ATOM 0 HA2 GLY A 33 16.800 1.718 -12.665 1.00 0.00 H new ATOM 0 HA3 GLY A 33 18.074 1.048 -11.666 1.00 0.00 H new ATOM 521 N TRP A 34 15.295 -0.121 -10.684 1.00 0.00 N ATOM 522 CA TRP A 34 14.408 -1.265 -10.566 1.00 0.00 C ATOM 523 C TRP A 34 13.648 -1.414 -11.886 1.00 0.00 C ATOM 524 O TRP A 34 13.145 -0.432 -12.430 1.00 0.00 O ATOM 525 CB TRP A 34 13.482 -1.117 -9.357 1.00 0.00 C ATOM 526 CG TRP A 34 12.282 -2.067 -9.372 1.00 0.00 C ATOM 527 CD1 TRP A 34 12.275 -3.390 -9.160 1.00 0.00 C ATOM 528 CD2 TRP A 34 10.906 -1.710 -9.623 1.00 0.00 C ATOM 529 NE1 TRP A 34 11.000 -3.910 -9.255 1.00 0.00 N ATOM 530 CE2 TRP A 34 10.141 -2.857 -9.545 1.00 0.00 C ATOM 531 CE3 TRP A 34 10.327 -0.461 -9.905 1.00 0.00 C ATOM 532 CZ2 TRP A 34 8.755 -2.867 -9.738 1.00 0.00 C ATOM 533 CZ3 TRP A 34 8.940 -0.489 -10.096 1.00 0.00 C ATOM 534 CH2 TRP A 34 8.156 -1.634 -10.021 1.00 0.00 C ATOM 0 H TRP A 34 15.128 0.621 -10.004 1.00 0.00 H new ATOM 0 HA TRP A 34 14.977 -2.177 -10.388 1.00 0.00 H new ATOM 0 HB2 TRP A 34 14.058 -1.290 -8.448 1.00 0.00 H new ATOM 0 HB3 TRP A 34 13.119 -0.090 -9.314 1.00 0.00 H new ATOM 0 HD1 TRP A 34 13.156 -3.976 -8.942 1.00 0.00 H new ATOM 0 HE1 TRP A 34 10.737 -4.888 -9.134 1.00 0.00 H new ATOM 0 HE3 TRP A 34 10.906 0.448 -9.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 8.178 -3.778 -9.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 8.445 0.445 -10.317 1.00 0.00 H new ATOM 0 HH2 TRP A 34 7.090 -1.573 -10.180 1.00 0.00 H new ATOM 545 N VAL A 35 13.589 -2.649 -12.362 1.00 0.00 N ATOM 546 CA VAL A 35 13.196 -2.903 -13.737 1.00 0.00 C ATOM 547 C VAL A 35 11.762 -3.436 -13.763 1.00 0.00 C ATOM 548 O VAL A 35 11.022 -3.190 -14.714 1.00 0.00 O ATOM 549 CB VAL A 35 14.198 -3.849 -14.402 1.00 0.00 C ATOM 550 CG1 VAL A 35 13.875 -4.035 -15.886 1.00 0.00 C ATOM 551 CG2 VAL A 35 15.632 -3.351 -14.211 1.00 0.00 C ATOM 0 H VAL A 35 13.807 -3.485 -11.819 1.00 0.00 H new ATOM 0 HA VAL A 35 13.210 -1.979 -14.315 1.00 0.00 H new ATOM 0 HB VAL A 35 14.114 -4.821 -13.917 1.00 0.00 H new ATOM 0 HG11 VAL A 35 14.602 -4.712 -16.335 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.875 -4.456 -15.991 1.00 0.00 H new ATOM 0 HG13 VAL A 35 13.917 -3.070 -16.391 1.00 0.00 H new ATOM 0 HG21 VAL A 35 16.324 -4.041 -14.693 1.00 0.00 H new ATOM 0 HG22 VAL A 35 15.736 -2.362 -14.657 1.00 0.00 H new ATOM 0 HG23 VAL A 35 15.859 -3.294 -13.146 1.00 0.00 H new ATOM 561 N ALA A 36 11.414 -4.156 -12.707 1.00 0.00 N ATOM 562 CA ALA A 36 10.048 -4.623 -12.537 1.00 0.00 C ATOM 563 C ALA A 36 9.841 -5.892 -13.367 1.00 0.00 C ATOM 564 O ALA A 36 9.456 -6.931 -12.833 1.00 0.00 O ATOM 565 CB ALA A 36 9.075 -3.507 -12.925 1.00 0.00 C ATOM 0 H ALA A 36 12.054 -4.428 -11.960 1.00 0.00 H new ATOM 0 HA ALA A 36 9.855 -4.876 -11.494 1.00 0.00 H new ATOM 0 HB1 ALA A 36 8.051 -3.857 -12.798 1.00 0.00 H new ATOM 0 HB2 ALA A 36 9.244 -2.639 -12.288 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.237 -3.229 -13.967 1.00 0.00 H new ATOM 571 N SER A 37 10.104 -5.765 -14.659 1.00 0.00 N ATOM 572 CA SER A 37 10.072 -6.916 -15.546 1.00 0.00 C ATOM 573 C SER A 37 11.175 -7.904 -15.162 1.00 0.00 C ATOM 574 O SER A 37 11.068 -9.097 -15.439 1.00 0.00 O ATOM 575 CB SER A 37 10.227 -6.489 -17.007 1.00 0.00 C ATOM 576 OG SER A 37 10.161 -7.600 -17.897 1.00 0.00 O ATOM 0 H SER A 37 10.340 -4.883 -15.113 1.00 0.00 H new ATOM 0 HA SER A 37 9.103 -7.404 -15.439 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.444 -5.774 -17.261 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.181 -5.977 -17.136 1.00 0.00 H new ATOM 0 HG SER A 37 10.262 -7.286 -18.820 1.00 0.00 H new ATOM 582 N LYS A 38 12.209 -7.370 -14.529 1.00 0.00 N ATOM 583 CA LYS A 38 13.337 -8.188 -14.117 1.00 0.00 C ATOM 584 C LYS A 38 13.762 -7.788 -12.702 1.00 0.00 C ATOM 585 O LYS A 38 13.692 -6.615 -12.338 1.00 0.00 O ATOM 586 CB LYS A 38 14.466 -8.101 -15.146 1.00 0.00 C ATOM 587 CG LYS A 38 15.612 -9.049 -14.784 1.00 0.00 C ATOM 588 CD LYS A 38 16.658 -9.094 -15.899 1.00 0.00 C ATOM 589 CE LYS A 38 17.492 -7.811 -15.922 1.00 0.00 C ATOM 590 NZ LYS A 38 18.609 -7.936 -16.884 1.00 0.00 N ATOM 0 H LYS A 38 12.289 -6.381 -14.291 1.00 0.00 H new ATOM 0 HA LYS A 38 13.052 -9.239 -14.079 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.082 -8.350 -16.135 1.00 0.00 H new ATOM 0 HB3 LYS A 38 14.838 -7.078 -15.197 1.00 0.00 H new ATOM 0 HG2 LYS A 38 16.079 -8.723 -13.855 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.219 -10.050 -14.608 1.00 0.00 H new ATOM 0 HD2 LYS A 38 17.312 -9.954 -15.754 1.00 0.00 H new ATOM 0 HD3 LYS A 38 16.163 -9.228 -16.861 1.00 0.00 H new ATOM 0 HE2 LYS A 38 16.861 -6.965 -16.196 1.00 0.00 H new ATOM 0 HE3 LYS A 38 17.884 -7.607 -14.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 19.165 -7.057 -16.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 19.220 -8.731 -16.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 18.229 -8.109 -17.837 1.00 0.00 H new ATOM 604 N GLY A 39 14.193 -8.785 -11.944 1.00 0.00 N ATOM 605 CA GLY A 39 14.837 -8.530 -10.666 1.00 0.00 C ATOM 606 C GLY A 39 13.801 -8.229 -9.581 1.00 0.00 C ATOM 607 O GLY A 39 12.731 -7.697 -9.870 1.00 0.00 O ATOM 0 H GLY A 39 14.109 -9.771 -12.190 1.00 0.00 H new ATOM 0 HA2 GLY A 39 15.432 -9.396 -10.375 1.00 0.00 H new ATOM 0 HA3 GLY A 39 15.523 -7.689 -10.762 1.00 0.00 H new ATOM 611 N ASN A 40 14.157 -8.583 -8.355 1.00 0.00 N ATOM 612 CA ASN A 40 13.349 -8.212 -7.205 1.00 0.00 C ATOM 613 C ASN A 40 13.707 -6.788 -6.774 1.00 0.00 C ATOM 614 O ASN A 40 14.718 -6.239 -7.210 1.00 0.00 O ATOM 615 CB ASN A 40 13.614 -9.145 -6.022 1.00 0.00 C ATOM 616 CG ASN A 40 15.098 -9.148 -5.647 1.00 0.00 C ATOM 617 OD1 ASN A 40 15.948 -9.627 -6.379 1.00 0.00 O ATOM 618 ND2 ASN A 40 15.359 -8.589 -4.469 1.00 0.00 N ATOM 0 H ASN A 40 14.994 -9.123 -8.133 1.00 0.00 H new ATOM 0 HA ASN A 40 12.300 -8.283 -7.492 1.00 0.00 H new ATOM 0 HB2 ASN A 40 13.019 -8.829 -5.165 1.00 0.00 H new ATOM 0 HB3 ASN A 40 13.297 -10.157 -6.274 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.319 -8.542 -4.128 1.00 0.00 H new ATOM 0 HD22 ASN A 40 14.599 -8.207 -3.906 1.00 0.00 H new ATOM 625 N LEU A 41 12.859 -6.231 -5.922 1.00 0.00 N ATOM 626 CA LEU A 41 12.974 -4.829 -5.560 1.00 0.00 C ATOM 627 C LEU A 41 14.238 -4.624 -4.723 1.00 0.00 C ATOM 628 O LEU A 41 15.102 -3.827 -5.082 1.00 0.00 O ATOM 629 CB LEU A 41 11.695 -4.346 -4.872 1.00 0.00 C ATOM 630 CG LEU A 41 11.498 -2.830 -4.811 1.00 0.00 C ATOM 631 CD1 LEU A 41 11.471 -2.224 -6.215 1.00 0.00 C ATOM 632 CD2 LEU A 41 10.245 -2.473 -4.009 1.00 0.00 C ATOM 0 H LEU A 41 12.089 -6.726 -5.472 1.00 0.00 H new ATOM 0 HA LEU A 41 13.080 -4.213 -6.453 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.841 -4.783 -5.389 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.685 -4.735 -3.854 1.00 0.00 H new ATOM 0 HG LEU A 41 12.350 -2.395 -4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.330 -1.146 -6.143 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.414 -2.434 -6.720 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.650 -2.660 -6.784 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.128 -1.390 -3.981 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.371 -2.921 -4.482 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.343 -2.854 -2.992 1.00 0.00 H new ATOM 644 N ALA A 42 14.305 -5.359 -3.622 1.00 0.00 N ATOM 645 CA ALA A 42 15.313 -5.099 -2.609 1.00 0.00 C ATOM 646 C ALA A 42 16.697 -5.089 -3.263 1.00 0.00 C ATOM 647 O ALA A 42 17.607 -4.412 -2.788 1.00 0.00 O ATOM 648 CB ALA A 42 15.202 -6.143 -1.497 1.00 0.00 C ATOM 0 H ALA A 42 13.677 -6.134 -3.410 1.00 0.00 H new ATOM 0 HA ALA A 42 15.156 -4.121 -2.154 1.00 0.00 H new ATOM 0 HB1 ALA A 42 15.959 -5.947 -0.737 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.212 -6.089 -1.045 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.356 -7.138 -1.915 1.00 0.00 H new ATOM 654 N GLU A 43 16.811 -5.849 -4.343 1.00 0.00 N ATOM 655 CA GLU A 43 18.070 -5.944 -5.061 1.00 0.00 C ATOM 656 C GLU A 43 18.588 -4.547 -5.413 1.00 0.00 C ATOM 657 O GLU A 43 19.722 -4.201 -5.086 1.00 0.00 O ATOM 658 CB GLU A 43 17.922 -6.806 -6.316 1.00 0.00 C ATOM 659 CG GLU A 43 19.250 -6.911 -7.069 1.00 0.00 C ATOM 660 CD GLU A 43 19.128 -7.855 -8.267 1.00 0.00 C ATOM 661 OE1 GLU A 43 18.363 -7.504 -9.191 1.00 0.00 O ATOM 662 OE2 GLU A 43 19.802 -8.907 -8.230 1.00 0.00 O ATOM 0 H GLU A 43 16.052 -6.404 -4.738 1.00 0.00 H new ATOM 0 HA GLU A 43 18.800 -6.428 -4.412 1.00 0.00 H new ATOM 0 HB2 GLU A 43 17.577 -7.802 -6.039 1.00 0.00 H new ATOM 0 HB3 GLU A 43 17.162 -6.376 -6.969 1.00 0.00 H new ATOM 0 HG2 GLU A 43 19.558 -5.923 -7.410 1.00 0.00 H new ATOM 0 HG3 GLU A 43 20.027 -7.272 -6.395 1.00 0.00 H new ATOM 669 N VAL A 44 17.731 -3.783 -6.075 1.00 0.00 N ATOM 670 CA VAL A 44 18.164 -2.552 -6.713 1.00 0.00 C ATOM 671 C VAL A 44 17.880 -1.372 -5.781 1.00 0.00 C ATOM 672 O VAL A 44 18.611 -0.383 -5.787 1.00 0.00 O ATOM 673 CB VAL A 44 17.495 -2.408 -8.081 1.00 0.00 C ATOM 674 CG1 VAL A 44 17.977 -1.145 -8.798 1.00 0.00 C ATOM 675 CG2 VAL A 44 17.732 -3.651 -8.941 1.00 0.00 C ATOM 0 H VAL A 44 16.739 -3.993 -6.183 1.00 0.00 H new ATOM 0 HA VAL A 44 19.239 -2.573 -6.893 1.00 0.00 H new ATOM 0 HB VAL A 44 16.421 -2.312 -7.920 1.00 0.00 H new ATOM 0 HG11 VAL A 44 17.486 -1.067 -9.768 1.00 0.00 H new ATOM 0 HG12 VAL A 44 17.733 -0.269 -8.196 1.00 0.00 H new ATOM 0 HG13 VAL A 44 19.056 -1.197 -8.941 1.00 0.00 H new ATOM 0 HG21 VAL A 44 17.246 -3.522 -9.908 1.00 0.00 H new ATOM 0 HG22 VAL A 44 18.803 -3.792 -9.089 1.00 0.00 H new ATOM 0 HG23 VAL A 44 17.317 -4.525 -8.439 1.00 0.00 H new ATOM 685 N ALA A 45 16.817 -1.516 -5.003 1.00 0.00 N ATOM 686 CA ALA A 45 16.494 -0.529 -3.988 1.00 0.00 C ATOM 687 C ALA A 45 16.264 -1.235 -2.651 1.00 0.00 C ATOM 688 O ALA A 45 15.130 -1.563 -2.304 1.00 0.00 O ATOM 689 CB ALA A 45 15.277 0.284 -4.435 1.00 0.00 C ATOM 0 H ALA A 45 16.169 -2.302 -5.056 1.00 0.00 H new ATOM 0 HA ALA A 45 17.321 0.169 -3.854 1.00 0.00 H new ATOM 0 HB1 ALA A 45 15.035 1.025 -3.673 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.502 0.790 -5.374 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.426 -0.383 -4.577 1.00 0.00 H new ATOM 695 N PRO A 46 17.387 -1.455 -1.916 1.00 0.00 N ATOM 696 CA PRO A 46 17.329 -2.185 -0.661 1.00 0.00 C ATOM 697 C PRO A 46 16.730 -1.320 0.450 1.00 0.00 C ATOM 698 O PRO A 46 17.065 -0.143 0.574 1.00 0.00 O ATOM 699 CB PRO A 46 18.765 -2.601 -0.382 1.00 0.00 C ATOM 700 CG PRO A 46 19.635 -1.697 -1.240 1.00 0.00 C ATOM 701 CD PRO A 46 18.736 -1.016 -2.259 1.00 0.00 C ATOM 0 HA PRO A 46 16.678 -3.058 -0.711 1.00 0.00 H new ATOM 0 HB2 PRO A 46 19.006 -2.487 0.675 1.00 0.00 H new ATOM 0 HB3 PRO A 46 18.924 -3.650 -0.634 1.00 0.00 H new ATOM 0 HG2 PRO A 46 20.141 -0.956 -0.622 1.00 0.00 H new ATOM 0 HG3 PRO A 46 20.410 -2.277 -1.742 1.00 0.00 H new ATOM 0 HD2 PRO A 46 18.825 0.069 -2.203 1.00 0.00 H new ATOM 0 HD3 PRO A 46 19.000 -1.306 -3.276 1.00 0.00 H new ATOM 709 N GLY A 47 15.855 -1.938 1.230 1.00 0.00 N ATOM 710 CA GLY A 47 15.463 -1.372 2.509 1.00 0.00 C ATOM 711 C GLY A 47 14.302 -0.390 2.342 1.00 0.00 C ATOM 712 O GLY A 47 14.107 0.494 3.175 1.00 0.00 O ATOM 0 H GLY A 47 15.407 -2.825 1.001 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.172 -2.171 3.191 1.00 0.00 H new ATOM 0 HA3 GLY A 47 16.314 -0.861 2.961 1.00 0.00 H new ATOM 716 N LYS A 48 13.560 -0.579 1.260 1.00 0.00 N ATOM 717 CA LYS A 48 12.347 0.190 1.041 1.00 0.00 C ATOM 718 C LYS A 48 11.404 -0.601 0.132 1.00 0.00 C ATOM 719 O LYS A 48 11.832 -1.526 -0.557 1.00 0.00 O ATOM 720 CB LYS A 48 12.685 1.585 0.512 1.00 0.00 C ATOM 721 CG LYS A 48 13.528 1.499 -0.762 1.00 0.00 C ATOM 722 CD LYS A 48 15.000 1.795 -0.467 1.00 0.00 C ATOM 723 CE LYS A 48 15.333 3.261 -0.753 1.00 0.00 C ATOM 724 NZ LYS A 48 14.717 4.141 0.265 1.00 0.00 N ATOM 0 H LYS A 48 13.776 -1.254 0.526 1.00 0.00 H new ATOM 0 HA LYS A 48 11.822 0.350 1.983 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.765 2.133 0.307 1.00 0.00 H new ATOM 0 HB3 LYS A 48 13.227 2.145 1.274 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.434 0.505 -1.198 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.152 2.208 -1.500 1.00 0.00 H new ATOM 0 HD2 LYS A 48 15.219 1.566 0.576 1.00 0.00 H new ATOM 0 HD3 LYS A 48 15.633 1.149 -1.075 1.00 0.00 H new ATOM 0 HE2 LYS A 48 16.414 3.400 -0.756 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.973 3.535 -1.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.995 5.127 0.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.682 4.058 0.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.041 3.857 1.211 1.00 0.00 H new ATOM 738 N SER A 49 10.140 -0.207 0.158 1.00 0.00 N ATOM 739 CA SER A 49 9.130 -0.877 -0.644 1.00 0.00 C ATOM 740 C SER A 49 8.184 0.154 -1.263 1.00 0.00 C ATOM 741 O SER A 49 8.308 1.349 -1.003 1.00 0.00 O ATOM 742 CB SER A 49 8.341 -1.886 0.194 1.00 0.00 C ATOM 743 OG SER A 49 9.196 -2.812 0.858 1.00 0.00 O ATOM 0 H SER A 49 9.791 0.568 0.722 1.00 0.00 H new ATOM 0 HA SER A 49 9.634 -1.423 -1.442 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.740 -1.354 0.932 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.648 -2.429 -0.449 1.00 0.00 H new ATOM 0 HG SER A 49 8.655 -3.438 1.383 1.00 0.00 H new ATOM 749 N ILE A 50 7.261 -0.347 -2.070 1.00 0.00 N ATOM 750 CA ILE A 50 6.330 0.520 -2.772 1.00 0.00 C ATOM 751 C ILE A 50 5.170 0.875 -1.839 1.00 0.00 C ATOM 752 O ILE A 50 4.603 0.000 -1.187 1.00 0.00 O ATOM 753 CB ILE A 50 5.887 -0.122 -4.088 1.00 0.00 C ATOM 754 CG1 ILE A 50 7.094 -0.578 -4.909 1.00 0.00 C ATOM 755 CG2 ILE A 50 4.977 0.820 -4.879 1.00 0.00 C ATOM 756 CD1 ILE A 50 8.081 0.573 -5.117 1.00 0.00 C ATOM 0 H ILE A 50 7.138 -1.343 -2.254 1.00 0.00 H new ATOM 0 HA ILE A 50 6.815 1.456 -3.049 1.00 0.00 H new ATOM 0 HB ILE A 50 5.303 -1.012 -3.854 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.593 -1.403 -4.401 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.760 -0.955 -5.876 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.677 0.339 -5.810 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.091 1.052 -4.288 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.514 1.741 -5.104 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.930 0.223 -5.704 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.585 1.386 -5.647 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.432 0.931 -4.149 1.00 0.00 H new ATOM 768 N GLY A 51 4.852 2.161 -1.806 1.00 0.00 N ATOM 769 CA GLY A 51 3.616 2.610 -1.188 1.00 0.00 C ATOM 770 C GLY A 51 3.394 4.105 -1.430 1.00 0.00 C ATOM 771 O GLY A 51 4.335 4.834 -1.738 1.00 0.00 O ATOM 0 H GLY A 51 5.429 2.906 -2.197 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.777 2.044 -1.592 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.648 2.412 -0.117 1.00 0.00 H new ATOM 775 N GLY A 52 2.143 4.516 -1.281 1.00 0.00 N ATOM 776 CA GLY A 52 1.781 5.906 -1.503 1.00 0.00 C ATOM 777 C GLY A 52 1.402 6.147 -2.965 1.00 0.00 C ATOM 778 O GLY A 52 1.233 7.291 -3.386 1.00 0.00 O ATOM 0 H GLY A 52 1.368 3.911 -1.009 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.945 6.175 -0.858 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.616 6.551 -1.229 1.00 0.00 H new ATOM 782 N ASP A 53 1.279 5.051 -3.700 1.00 0.00 N ATOM 783 CA ASP A 53 0.882 5.127 -5.095 1.00 0.00 C ATOM 784 C ASP A 53 -0.626 4.891 -5.206 1.00 0.00 C ATOM 785 O ASP A 53 -1.229 4.283 -4.323 1.00 0.00 O ATOM 786 CB ASP A 53 1.591 4.056 -5.928 1.00 0.00 C ATOM 787 CG ASP A 53 3.118 4.070 -5.834 1.00 0.00 C ATOM 788 OD1 ASP A 53 3.626 3.609 -4.790 1.00 0.00 O ATOM 789 OD2 ASP A 53 3.742 4.541 -6.810 1.00 0.00 O ATOM 0 H ASP A 53 1.447 4.106 -3.355 1.00 0.00 H new ATOM 0 HA ASP A 53 1.153 6.114 -5.470 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.232 3.076 -5.614 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.305 4.181 -6.972 1.00 0.00 H new ATOM 794 N VAL A 54 -1.191 5.383 -6.298 1.00 0.00 N ATOM 795 CA VAL A 54 -2.633 5.534 -6.392 1.00 0.00 C ATOM 796 C VAL A 54 -3.261 4.183 -6.741 1.00 0.00 C ATOM 797 O VAL A 54 -2.667 3.388 -7.467 1.00 0.00 O ATOM 798 CB VAL A 54 -2.980 6.633 -7.399 1.00 0.00 C ATOM 799 CG1 VAL A 54 -4.495 6.753 -7.579 1.00 0.00 C ATOM 800 CG2 VAL A 54 -2.369 7.972 -6.982 1.00 0.00 C ATOM 0 H VAL A 54 -0.676 5.682 -7.126 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.047 5.848 -5.434 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.550 6.354 -8.361 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.715 7.541 -8.300 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.894 5.806 -7.943 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.957 6.997 -6.622 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.631 8.735 -7.715 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.756 8.260 -6.004 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.284 7.876 -6.929 1.00 0.00 H new ATOM 810 N PHE A 55 -4.454 3.966 -6.207 1.00 0.00 N ATOM 811 CA PHE A 55 -5.125 2.688 -6.371 1.00 0.00 C ATOM 812 C PHE A 55 -6.166 2.754 -7.491 1.00 0.00 C ATOM 813 O PHE A 55 -6.762 3.804 -7.727 1.00 0.00 O ATOM 814 CB PHE A 55 -5.834 2.382 -5.050 1.00 0.00 C ATOM 815 CG PHE A 55 -6.714 1.131 -5.091 1.00 0.00 C ATOM 816 CD1 PHE A 55 -6.150 -0.101 -4.976 1.00 0.00 C ATOM 817 CD2 PHE A 55 -8.060 1.251 -5.242 1.00 0.00 C ATOM 818 CE1 PHE A 55 -6.967 -1.262 -5.014 1.00 0.00 C ATOM 819 CE2 PHE A 55 -8.877 0.090 -5.280 1.00 0.00 C ATOM 820 CZ PHE A 55 -8.313 -1.142 -5.165 1.00 0.00 C ATOM 0 H PHE A 55 -4.973 4.653 -5.661 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.399 1.918 -6.631 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.085 2.261 -4.267 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.450 3.238 -4.773 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.081 -0.197 -4.856 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -8.508 2.230 -5.333 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -6.519 -2.241 -4.923 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -9.946 0.186 -5.400 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.934 -2.025 -5.194 1.00 0.00 H new ATOM 925 N LEU A 62 -13.740 -1.410 -4.335 1.00 0.00 N ATOM 926 CA LEU A 62 -14.102 -0.520 -3.244 1.00 0.00 C ATOM 927 C LEU A 62 -14.890 0.667 -3.800 1.00 0.00 C ATOM 928 O LEU A 62 -14.740 1.024 -4.968 1.00 0.00 O ATOM 929 CB LEU A 62 -12.860 -0.115 -2.448 1.00 0.00 C ATOM 930 CG LEU A 62 -11.959 -1.261 -1.982 1.00 0.00 C ATOM 931 CD1 LEU A 62 -10.481 -0.892 -2.132 1.00 0.00 C ATOM 932 CD2 LEU A 62 -12.302 -1.682 -0.552 1.00 0.00 C ATOM 0 HA LEU A 62 -14.753 -1.032 -2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -12.265 0.563 -3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -13.182 0.447 -1.571 1.00 0.00 H new ATOM 0 HG LEU A 62 -12.143 -2.123 -2.624 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.862 -1.723 -1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.263 -0.680 -3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.263 -0.010 -1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.647 -2.498 -0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -12.164 -0.835 0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -13.339 -2.014 -0.509 1.00 0.00 H new ATOM 944 N PRO A 63 -15.735 1.262 -2.916 1.00 0.00 N ATOM 945 CA PRO A 63 -16.614 2.342 -3.330 1.00 0.00 C ATOM 946 C PRO A 63 -15.833 3.645 -3.513 1.00 0.00 C ATOM 947 O PRO A 63 -14.622 3.682 -3.301 1.00 0.00 O ATOM 948 CB PRO A 63 -17.669 2.430 -2.240 1.00 0.00 C ATOM 949 CG PRO A 63 -17.083 1.716 -1.033 1.00 0.00 C ATOM 950 CD PRO A 63 -15.875 0.923 -1.503 1.00 0.00 C ATOM 0 HA PRO A 63 -17.077 2.160 -4.300 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.901 3.469 -2.004 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.599 1.960 -2.558 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.793 2.436 -0.267 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -17.823 1.054 -0.584 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.981 1.193 -0.941 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -16.027 -0.148 -1.366 1.00 0.00 H new ATOM 997 N ARG A 68 -13.850 11.116 -2.422 1.00 0.00 N ATOM 998 CA ARG A 68 -13.091 9.999 -1.886 1.00 0.00 C ATOM 999 C ARG A 68 -12.138 9.446 -2.948 1.00 0.00 C ATOM 1000 O ARG A 68 -12.553 9.156 -4.069 1.00 0.00 O ATOM 1001 CB ARG A 68 -14.019 8.879 -1.412 1.00 0.00 C ATOM 1002 CG ARG A 68 -13.235 7.793 -0.672 1.00 0.00 C ATOM 1003 CD ARG A 68 -14.176 6.731 -0.099 1.00 0.00 C ATOM 1004 NE ARG A 68 -14.910 7.279 1.063 1.00 0.00 N ATOM 1005 CZ ARG A 68 -16.043 6.755 1.551 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -16.497 5.585 1.081 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -16.721 7.400 2.509 1.00 0.00 N ATOM 0 HA ARG A 68 -12.518 10.366 -1.034 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.785 9.291 -0.755 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.534 8.442 -2.268 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -12.524 7.325 -1.353 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -12.655 8.243 0.134 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -14.881 6.407 -0.865 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -13.606 5.852 0.202 1.00 0.00 H new ATOM 0 HE ARG A 68 -14.530 8.107 1.521 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -15.980 5.093 0.352 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -17.359 5.186 1.452 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -16.375 8.290 2.867 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -17.583 7.001 2.880 1.00 0.00 H new ATOM 1021 N THR A 69 -10.878 9.318 -2.557 1.00 0.00 N ATOM 1022 CA THR A 69 -9.891 8.682 -3.412 1.00 0.00 C ATOM 1023 C THR A 69 -9.042 7.697 -2.605 1.00 0.00 C ATOM 1024 O THR A 69 -8.921 7.828 -1.388 1.00 0.00 O ATOM 1025 CB THR A 69 -9.069 9.782 -4.086 1.00 0.00 C ATOM 1026 OG1 THR A 69 -10.044 10.726 -4.522 1.00 0.00 O ATOM 1027 CG2 THR A 69 -8.405 9.308 -5.380 1.00 0.00 C ATOM 0 H THR A 69 -10.519 9.644 -1.660 1.00 0.00 H new ATOM 0 HA THR A 69 -10.368 8.089 -4.192 1.00 0.00 H new ATOM 0 HB THR A 69 -8.305 10.138 -3.395 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.597 11.475 -4.969 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.834 10.127 -5.817 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.736 8.476 -5.162 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.171 8.983 -6.084 1.00 0.00 H new ATOM 1035 N TRP A 70 -8.475 6.733 -3.316 1.00 0.00 N ATOM 1036 CA TRP A 70 -7.871 5.582 -2.668 1.00 0.00 C ATOM 1037 C TRP A 70 -6.386 5.557 -3.036 1.00 0.00 C ATOM 1038 O TRP A 70 -6.019 5.860 -4.170 1.00 0.00 O ATOM 1039 CB TRP A 70 -8.603 4.293 -3.046 1.00 0.00 C ATOM 1040 CG TRP A 70 -10.061 4.247 -2.587 1.00 0.00 C ATOM 1041 CD1 TRP A 70 -11.110 4.905 -3.101 1.00 0.00 C ATOM 1042 CD2 TRP A 70 -10.594 3.472 -1.492 1.00 0.00 C ATOM 1043 NE1 TRP A 70 -12.274 4.612 -2.420 1.00 0.00 N ATOM 1044 CE2 TRP A 70 -11.950 3.713 -1.411 1.00 0.00 C ATOM 1045 CE3 TRP A 70 -9.951 2.597 -0.599 1.00 0.00 C ATOM 1046 CZ2 TRP A 70 -12.779 3.117 -0.453 1.00 0.00 C ATOM 1047 CZ3 TRP A 70 -10.793 2.009 0.352 1.00 0.00 C ATOM 1048 CH2 TRP A 70 -12.160 2.241 0.447 1.00 0.00 C ATOM 0 H TRP A 70 -8.421 6.726 -4.335 1.00 0.00 H new ATOM 0 HA TRP A 70 -7.959 5.659 -1.584 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -8.570 4.173 -4.129 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -8.070 3.445 -2.615 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -11.051 5.580 -3.942 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -13.201 4.986 -2.620 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -8.891 2.395 -0.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -13.839 3.322 -0.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -10.349 1.327 1.062 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -12.742 1.748 1.211 1.00 0.00 H new ATOM 1059 N ARG A 71 -5.572 5.192 -2.057 1.00 0.00 N ATOM 1060 CA ARG A 71 -4.164 4.938 -2.309 1.00 0.00 C ATOM 1061 C ARG A 71 -3.740 3.614 -1.672 1.00 0.00 C ATOM 1062 O ARG A 71 -4.257 3.232 -0.624 1.00 0.00 O ATOM 1063 CB ARG A 71 -3.293 6.066 -1.752 1.00 0.00 C ATOM 1064 CG ARG A 71 -3.623 7.399 -2.428 1.00 0.00 C ATOM 1065 CD ARG A 71 -4.643 8.191 -1.608 1.00 0.00 C ATOM 1066 NE ARG A 71 -4.916 9.491 -2.261 1.00 0.00 N ATOM 1067 CZ ARG A 71 -5.941 10.293 -1.938 1.00 0.00 C ATOM 1068 NH1 ARG A 71 -6.783 9.942 -0.957 1.00 0.00 N ATOM 1069 NH2 ARG A 71 -6.123 11.445 -2.597 1.00 0.00 N ATOM 0 H ARG A 71 -5.861 5.066 -1.087 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.025 4.886 -3.389 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.447 6.152 -0.676 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.241 5.827 -1.905 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.712 7.986 -2.547 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.018 7.216 -3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.567 7.621 -1.513 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.264 8.354 -0.599 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.285 9.796 -3.003 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.644 9.065 -0.456 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.563 10.552 -0.711 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.482 11.712 -3.344 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.903 12.055 -2.352 1.00 0.00 H new ATOM 1083 N GLU A 72 -2.803 2.949 -2.332 1.00 0.00 N ATOM 1084 CA GLU A 72 -2.419 1.605 -1.935 1.00 0.00 C ATOM 1085 C GLU A 72 -0.971 1.591 -1.440 1.00 0.00 C ATOM 1086 O GLU A 72 -0.209 2.517 -1.715 1.00 0.00 O ATOM 1087 CB GLU A 72 -2.614 0.617 -3.087 1.00 0.00 C ATOM 1088 CG GLU A 72 -1.797 1.034 -4.312 1.00 0.00 C ATOM 1089 CD GLU A 72 -1.741 -0.095 -5.343 1.00 0.00 C ATOM 1090 OE1 GLU A 72 -0.890 -0.992 -5.158 1.00 0.00 O ATOM 1091 OE2 GLU A 72 -2.550 -0.036 -6.294 1.00 0.00 O ATOM 0 H GLU A 72 -2.298 3.316 -3.139 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.065 1.290 -1.116 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.315 -0.382 -2.769 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.670 0.564 -3.351 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.239 1.922 -4.763 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.786 1.302 -4.005 1.00 0.00 H new ATOM 1098 N ALA A 73 -0.636 0.531 -0.719 1.00 0.00 N ATOM 1099 CA ALA A 73 0.727 0.345 -0.252 1.00 0.00 C ATOM 1100 C ALA A 73 0.983 -1.146 -0.022 1.00 0.00 C ATOM 1101 O ALA A 73 0.057 -1.901 0.272 1.00 0.00 O ATOM 1102 CB ALA A 73 0.952 1.177 1.012 1.00 0.00 C ATOM 0 H ALA A 73 -1.285 -0.208 -0.447 1.00 0.00 H new ATOM 0 HA ALA A 73 1.440 0.691 -1.001 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.975 1.037 1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.786 2.231 0.788 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.256 0.856 1.787 1.00 0.00 H new ATOM 1108 N ASP A 74 2.244 -1.526 -0.164 1.00 0.00 N ATOM 1109 CA ASP A 74 2.633 -2.915 0.017 1.00 0.00 C ATOM 1110 C ASP A 74 2.547 -3.274 1.502 1.00 0.00 C ATOM 1111 O ASP A 74 2.701 -2.410 2.363 1.00 0.00 O ATOM 1112 CB ASP A 74 4.072 -3.149 -0.444 1.00 0.00 C ATOM 1113 CG ASP A 74 4.318 -2.920 -1.937 1.00 0.00 C ATOM 1114 OD1 ASP A 74 3.317 -2.687 -2.648 1.00 0.00 O ATOM 1115 OD2 ASP A 74 5.502 -2.984 -2.334 1.00 0.00 O ATOM 0 H ASP A 74 3.010 -0.896 -0.402 1.00 0.00 H new ATOM 0 HA ASP A 74 1.960 -3.534 -0.576 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.731 -2.491 0.123 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.355 -4.172 -0.197 1.00 0.00 H new ATOM 1120 N ILE A 75 2.303 -4.551 1.755 1.00 0.00 N ATOM 1121 CA ILE A 75 2.453 -5.090 3.096 1.00 0.00 C ATOM 1122 C ILE A 75 3.366 -6.317 3.049 1.00 0.00 C ATOM 1123 O ILE A 75 3.370 -7.055 2.064 1.00 0.00 O ATOM 1124 CB ILE A 75 1.083 -5.366 3.720 1.00 0.00 C ATOM 1125 CG1 ILE A 75 0.179 -4.136 3.622 1.00 0.00 C ATOM 1126 CG2 ILE A 75 1.226 -5.860 5.161 1.00 0.00 C ATOM 1127 CD1 ILE A 75 0.600 -3.064 4.629 1.00 0.00 C ATOM 0 H ILE A 75 2.002 -5.228 1.054 1.00 0.00 H new ATOM 0 HA ILE A 75 2.933 -4.360 3.748 1.00 0.00 H new ATOM 0 HB ILE A 75 0.603 -6.164 3.153 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.222 -3.728 2.612 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.856 -4.425 3.805 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.238 -6.049 5.581 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.808 -6.782 5.174 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.735 -5.102 5.757 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.059 -2.201 4.538 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.532 -3.467 5.639 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.627 -2.759 4.428 1.00 0.00 H new ATOM 1139 N ASN A 76 4.117 -6.499 4.125 1.00 0.00 N ATOM 1140 CA ASN A 76 4.940 -7.687 4.272 1.00 0.00 C ATOM 1141 C ASN A 76 5.881 -7.802 3.072 1.00 0.00 C ATOM 1142 O ASN A 76 5.550 -8.447 2.078 1.00 0.00 O ATOM 1143 CB ASN A 76 4.078 -8.951 4.320 1.00 0.00 C ATOM 1144 CG ASN A 76 3.276 -9.019 5.621 1.00 0.00 C ATOM 1145 OD1 ASN A 76 3.792 -8.825 6.710 1.00 0.00 O ATOM 1146 ND2 ASN A 76 1.988 -9.303 5.448 1.00 0.00 N ATOM 0 H ASN A 76 4.173 -5.843 4.904 1.00 0.00 H new ATOM 0 HA ASN A 76 5.500 -7.596 5.203 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.398 -8.964 3.468 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.714 -9.832 4.234 1.00 0.00 H new ATOM 0 HD21 ASN A 76 1.368 -9.370 6.255 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.621 -9.454 4.508 1.00 0.00 H new ATOM 1266 N ALA A 84 2.142 -10.026 -2.919 1.00 0.00 N ATOM 1267 CA ALA A 84 0.826 -9.698 -3.438 1.00 0.00 C ATOM 1268 C ALA A 84 0.037 -8.936 -2.371 1.00 0.00 C ATOM 1269 O ALA A 84 -0.892 -8.196 -2.692 1.00 0.00 O ATOM 1270 CB ALA A 84 0.117 -10.980 -3.882 1.00 0.00 C ATOM 0 HA ALA A 84 0.909 -9.052 -4.312 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.871 -10.733 -4.271 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.703 -11.469 -4.661 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.014 -11.652 -3.030 1.00 0.00 H new ATOM 1276 N ASP A 85 0.436 -9.142 -1.125 1.00 0.00 N ATOM 1277 CA ASP A 85 -0.350 -8.668 0.001 1.00 0.00 C ATOM 1278 C ASP A 85 -0.270 -7.141 0.066 1.00 0.00 C ATOM 1279 O ASP A 85 0.820 -6.575 0.114 1.00 0.00 O ATOM 1280 CB ASP A 85 0.186 -9.226 1.321 1.00 0.00 C ATOM 1281 CG ASP A 85 0.038 -10.739 1.491 1.00 0.00 C ATOM 1282 OD1 ASP A 85 0.553 -11.462 0.612 1.00 0.00 O ATOM 1283 OD2 ASP A 85 -0.588 -11.138 2.497 1.00 0.00 O ATOM 0 H ASP A 85 1.294 -9.631 -0.870 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.378 -9.002 -0.141 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.242 -8.968 1.405 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.330 -8.731 2.144 1.00 0.00 H new ATOM 1288 N ARG A 86 -1.440 -6.519 0.065 1.00 0.00 N ATOM 1289 CA ARG A 86 -1.519 -5.075 -0.073 1.00 0.00 C ATOM 1290 C ARG A 86 -2.556 -4.505 0.898 1.00 0.00 C ATOM 1291 O ARG A 86 -3.476 -5.208 1.312 1.00 0.00 O ATOM 1292 CB ARG A 86 -1.896 -4.678 -1.501 1.00 0.00 C ATOM 1293 CG ARG A 86 -0.683 -4.754 -2.430 1.00 0.00 C ATOM 1294 CD ARG A 86 -1.118 -4.886 -3.891 1.00 0.00 C ATOM 1295 NE ARG A 86 -1.935 -3.716 -4.284 1.00 0.00 N ATOM 1296 CZ ARG A 86 -2.781 -3.705 -5.323 1.00 0.00 C ATOM 1297 NH1 ARG A 86 -2.743 -4.692 -6.228 1.00 0.00 N ATOM 1298 NH2 ARG A 86 -3.665 -2.707 -5.456 1.00 0.00 N ATOM 0 H ARG A 86 -2.341 -6.989 0.158 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.536 -4.666 0.158 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.683 -5.336 -1.870 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.300 -3.665 -1.506 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.071 -3.860 -2.309 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.062 -5.606 -2.154 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.241 -4.960 -4.535 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.692 -5.803 -4.027 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.849 -2.865 -3.729 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.070 -5.452 -6.126 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.387 -4.684 -7.019 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.694 -1.956 -4.766 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.309 -2.698 -6.247 1.00 0.00 H new ATOM 1312 N LEU A 87 -2.371 -3.237 1.233 1.00 0.00 N ATOM 1313 CA LEU A 87 -3.363 -2.517 2.014 1.00 0.00 C ATOM 1314 C LEU A 87 -3.734 -1.222 1.290 1.00 0.00 C ATOM 1315 O LEU A 87 -2.861 -0.516 0.786 1.00 0.00 O ATOM 1316 CB LEU A 87 -2.866 -2.301 3.445 1.00 0.00 C ATOM 1317 CG LEU A 87 -3.775 -1.471 4.353 1.00 0.00 C ATOM 1318 CD1 LEU A 87 -3.834 -2.066 5.761 1.00 0.00 C ATOM 1319 CD2 LEU A 87 -3.342 -0.003 4.368 1.00 0.00 C ATOM 0 H LEU A 87 -1.549 -2.689 0.978 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.276 -3.105 2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.717 -3.277 3.908 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.890 -1.817 3.400 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.786 -1.504 3.947 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.487 -1.457 6.386 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.225 -3.082 5.710 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.833 -2.083 6.191 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.005 0.565 5.021 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.319 0.071 4.736 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.394 0.402 3.357 1.00 0.00 H new ATOM 1331 N VAL A 88 -5.030 -0.948 1.260 1.00 0.00 N ATOM 1332 CA VAL A 88 -5.532 0.224 0.562 1.00 0.00 C ATOM 1333 C VAL A 88 -6.404 1.045 1.514 1.00 0.00 C ATOM 1334 O VAL A 88 -7.258 0.497 2.208 1.00 0.00 O ATOM 1335 CB VAL A 88 -6.270 -0.201 -0.709 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -6.497 0.994 -1.637 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -5.519 -1.322 -1.431 1.00 0.00 C ATOM 0 H VAL A 88 -5.748 -1.518 1.708 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.707 0.863 0.245 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.246 -0.587 -0.416 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.023 0.664 -2.533 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.094 1.747 -1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.536 1.424 -1.919 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.065 -1.605 -2.331 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.523 -0.975 -1.705 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.433 -2.186 -0.772 1.00 0.00 H new ATOM 1347 N TYR A 89 -6.157 2.347 1.516 1.00 0.00 N ATOM 1348 CA TYR A 89 -6.881 3.244 2.401 1.00 0.00 C ATOM 1349 C TYR A 89 -7.438 4.443 1.631 1.00 0.00 C ATOM 1350 O TYR A 89 -6.825 4.906 0.670 1.00 0.00 O ATOM 1351 CB TYR A 89 -5.859 3.741 3.425 1.00 0.00 C ATOM 1352 CG TYR A 89 -4.639 4.426 2.805 1.00 0.00 C ATOM 1353 CD1 TYR A 89 -4.659 5.785 2.566 1.00 0.00 C ATOM 1354 CD2 TYR A 89 -3.520 3.685 2.485 1.00 0.00 C ATOM 1355 CE1 TYR A 89 -3.511 6.430 1.983 1.00 0.00 C ATOM 1356 CE2 TYR A 89 -2.372 4.330 1.902 1.00 0.00 C ATOM 1357 CZ TYR A 89 -2.424 5.670 1.679 1.00 0.00 C ATOM 1358 OH TYR A 89 -1.340 6.280 1.128 1.00 0.00 O ATOM 0 H TYR A 89 -5.466 2.802 0.919 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.722 2.729 2.865 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.350 4.439 4.103 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.522 2.896 4.026 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.535 6.365 2.816 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -3.505 2.621 2.672 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.513 7.493 1.791 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -1.489 3.762 1.648 1.00 0.00 H new ATOM 0 HH TYR A 89 -1.290 7.206 1.444 1.00 0.00 H new ATOM 1368 N SER A 90 -8.592 4.911 2.082 1.00 0.00 N ATOM 1369 CA SER A 90 -9.290 5.978 1.386 1.00 0.00 C ATOM 1370 C SER A 90 -8.838 7.337 1.924 1.00 0.00 C ATOM 1371 O SER A 90 -8.043 7.404 2.860 1.00 0.00 O ATOM 1372 CB SER A 90 -10.806 5.829 1.527 1.00 0.00 C ATOM 1373 OG SER A 90 -11.261 6.211 2.823 1.00 0.00 O ATOM 0 H SER A 90 -9.061 4.571 2.921 1.00 0.00 H new ATOM 0 HA SER A 90 -9.043 5.913 0.326 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.302 6.441 0.773 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.088 4.794 1.334 1.00 0.00 H new ATOM 0 HG SER A 90 -11.943 6.909 2.738 1.00 0.00 H new ATOM 1379 N SER A 91 -9.363 8.386 1.309 1.00 0.00 N ATOM 1380 CA SER A 91 -9.080 9.738 1.760 1.00 0.00 C ATOM 1381 C SER A 91 -9.512 9.904 3.218 1.00 0.00 C ATOM 1382 O SER A 91 -8.762 10.435 4.035 1.00 0.00 O ATOM 1383 CB SER A 91 -9.781 10.772 0.877 1.00 0.00 C ATOM 1384 OG SER A 91 -9.294 10.749 -0.462 1.00 0.00 O ATOM 0 H SER A 91 -9.983 8.327 0.501 1.00 0.00 H new ATOM 0 HA SER A 91 -8.006 9.906 1.685 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.854 10.580 0.876 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.636 11.767 1.298 1.00 0.00 H new ATOM 0 HG SER A 91 -9.768 11.422 -0.994 1.00 0.00 H new ATOM 1390 N ASP A 92 -10.721 9.441 3.500 1.00 0.00 N ATOM 1391 CA ASP A 92 -11.293 9.599 4.827 1.00 0.00 C ATOM 1392 C ASP A 92 -10.974 8.359 5.665 1.00 0.00 C ATOM 1393 O ASP A 92 -11.584 8.139 6.711 1.00 0.00 O ATOM 1394 CB ASP A 92 -12.814 9.745 4.757 1.00 0.00 C ATOM 1395 CG ASP A 92 -13.549 8.561 4.126 1.00 0.00 C ATOM 1396 OD1 ASP A 92 -13.186 8.211 2.983 1.00 0.00 O ATOM 1397 OD2 ASP A 92 -14.458 8.032 4.802 1.00 0.00 O ATOM 0 H ASP A 92 -11.321 8.956 2.832 1.00 0.00 H new ATOM 0 HA ASP A 92 -10.866 10.496 5.275 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -13.196 9.894 5.767 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -13.052 10.645 4.190 1.00 0.00 H new ATOM 1402 N TRP A 93 -10.020 7.581 5.175 1.00 0.00 N ATOM 1403 CA TRP A 93 -9.340 6.612 6.016 1.00 0.00 C ATOM 1404 C TRP A 93 -10.322 5.480 6.323 1.00 0.00 C ATOM 1405 O TRP A 93 -10.451 5.059 7.471 1.00 0.00 O ATOM 1406 CB TRP A 93 -8.780 7.275 7.275 1.00 0.00 C ATOM 1407 CG TRP A 93 -8.079 8.611 7.016 1.00 0.00 C ATOM 1408 CD1 TRP A 93 -8.453 9.831 7.424 1.00 0.00 C ATOM 1409 CD2 TRP A 93 -6.860 8.811 6.270 1.00 0.00 C ATOM 1410 NE1 TRP A 93 -7.568 10.800 6.997 1.00 0.00 N ATOM 1411 CE2 TRP A 93 -6.568 10.160 6.273 1.00 0.00 C ATOM 1412 CE3 TRP A 93 -6.031 7.884 5.615 1.00 0.00 C ATOM 1413 CZ2 TRP A 93 -5.446 10.703 5.636 1.00 0.00 C ATOM 1414 CZ3 TRP A 93 -4.914 8.442 4.983 1.00 0.00 C ATOM 1415 CH2 TRP A 93 -4.606 9.798 4.977 1.00 0.00 C ATOM 0 H TRP A 93 -9.702 7.602 4.206 1.00 0.00 H new ATOM 0 HA TRP A 93 -8.476 6.193 5.500 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -9.594 7.435 7.982 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -8.075 6.593 7.750 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -9.336 10.031 8.013 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -7.635 11.801 7.179 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -6.240 6.824 5.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -5.240 11.763 5.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -4.244 7.773 4.464 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -3.723 10.151 4.466 1.00 0.00 H new ATOM 1426 N LEU A 94 -10.990 5.018 5.275 1.00 0.00 N ATOM 1427 CA LEU A 94 -11.600 3.700 5.299 1.00 0.00 C ATOM 1428 C LEU A 94 -10.598 2.669 4.775 1.00 0.00 C ATOM 1429 O LEU A 94 -10.113 2.785 3.651 1.00 0.00 O ATOM 1430 CB LEU A 94 -12.926 3.710 4.536 1.00 0.00 C ATOM 1431 CG LEU A 94 -14.128 4.285 5.289 1.00 0.00 C ATOM 1432 CD1 LEU A 94 -15.146 4.887 4.318 1.00 0.00 C ATOM 1433 CD2 LEU A 94 -14.760 3.230 6.200 1.00 0.00 C ATOM 0 H LEU A 94 -11.122 5.533 4.405 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.848 3.414 6.321 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -12.790 4.282 3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.161 2.687 4.243 1.00 0.00 H new ATOM 0 HG LEU A 94 -13.775 5.094 5.929 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -15.990 5.289 4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -14.675 5.688 3.748 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -15.499 4.114 3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -15.612 3.664 6.723 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -15.096 2.385 5.599 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -14.023 2.889 6.927 1.00 0.00 H new ATOM 1445 N ILE A 95 -10.317 1.684 5.616 1.00 0.00 N ATOM 1446 CA ILE A 95 -9.120 0.877 5.450 1.00 0.00 C ATOM 1447 C ILE A 95 -9.522 -0.563 5.124 1.00 0.00 C ATOM 1448 O ILE A 95 -10.349 -1.152 5.818 1.00 0.00 O ATOM 1449 CB ILE A 95 -8.217 1.000 6.678 1.00 0.00 C ATOM 1450 CG1 ILE A 95 -8.033 2.466 7.079 1.00 0.00 C ATOM 1451 CG2 ILE A 95 -6.878 0.297 6.447 1.00 0.00 C ATOM 1452 CD1 ILE A 95 -7.104 2.591 8.288 1.00 0.00 C ATOM 0 H ILE A 95 -10.898 1.427 6.414 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.528 1.241 4.610 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.705 0.496 7.512 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.622 3.027 6.240 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -9.002 2.907 7.313 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.255 0.400 7.336 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.052 -0.760 6.246 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.372 0.750 5.595 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.990 3.642 8.552 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.530 2.049 9.132 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.129 2.171 8.042 1.00 0.00 H new ATOM 1464 N TYR A 96 -8.919 -1.087 4.067 1.00 0.00 N ATOM 1465 CA TYR A 96 -9.143 -2.472 3.689 1.00 0.00 C ATOM 1466 C TYR A 96 -7.836 -3.140 3.257 1.00 0.00 C ATOM 1467 O TYR A 96 -6.955 -2.487 2.700 1.00 0.00 O ATOM 1468 CB TYR A 96 -10.100 -2.433 2.496 1.00 0.00 C ATOM 1469 CG TYR A 96 -11.547 -2.109 2.870 1.00 0.00 C ATOM 1470 CD1 TYR A 96 -11.940 -0.796 3.033 1.00 0.00 C ATOM 1471 CD2 TYR A 96 -12.460 -3.129 3.043 1.00 0.00 C ATOM 1472 CE1 TYR A 96 -13.303 -0.491 3.385 1.00 0.00 C ATOM 1473 CE2 TYR A 96 -13.823 -2.824 3.395 1.00 0.00 C ATOM 1474 CZ TYR A 96 -14.177 -1.520 3.549 1.00 0.00 C ATOM 1475 OH TYR A 96 -15.464 -1.232 3.881 1.00 0.00 O ATOM 0 H TYR A 96 -8.276 -0.578 3.461 1.00 0.00 H new ATOM 0 HA TYR A 96 -9.544 -3.040 4.529 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -9.745 -1.690 1.782 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -10.074 -3.398 1.990 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -11.226 0.003 2.897 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -12.153 -4.156 2.914 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -13.624 0.532 3.516 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -14.547 -3.613 3.533 1.00 0.00 H new ATOM 0 HH TYR A 96 -15.975 -2.064 3.964 1.00 0.00 H new ATOM 1485 N LYS A 97 -7.751 -4.434 3.532 1.00 0.00 N ATOM 1486 CA LYS A 97 -6.560 -5.194 3.193 1.00 0.00 C ATOM 1487 C LYS A 97 -6.937 -6.324 2.234 1.00 0.00 C ATOM 1488 O LYS A 97 -8.109 -6.680 2.118 1.00 0.00 O ATOM 1489 CB LYS A 97 -5.853 -5.675 4.462 1.00 0.00 C ATOM 1490 CG LYS A 97 -6.635 -6.807 5.131 1.00 0.00 C ATOM 1491 CD LYS A 97 -5.948 -8.156 4.906 1.00 0.00 C ATOM 1492 CE LYS A 97 -6.870 -9.312 5.297 1.00 0.00 C ATOM 1493 NZ LYS A 97 -7.200 -9.248 6.738 1.00 0.00 N ATOM 0 H LYS A 97 -8.487 -4.975 3.986 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.840 -4.562 2.674 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -4.849 -6.019 4.215 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.743 -4.844 5.158 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -6.721 -6.612 6.200 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.648 -6.840 4.731 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.662 -8.252 3.859 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.031 -8.203 5.493 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.785 -9.271 4.706 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.387 -10.263 5.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -7.682 -10.124 7.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.325 -9.139 7.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -7.825 -8.436 6.915 1.00 0.00 H new ATOM 1507 N THR A 98 -5.922 -6.858 1.570 1.00 0.00 N ATOM 1508 CA THR A 98 -6.120 -7.996 0.689 1.00 0.00 C ATOM 1509 C THR A 98 -4.833 -8.817 0.582 1.00 0.00 C ATOM 1510 O THR A 98 -3.735 -8.273 0.683 1.00 0.00 O ATOM 1511 CB THR A 98 -6.619 -7.470 -0.658 1.00 0.00 C ATOM 1512 OG1 THR A 98 -6.769 -8.642 -1.454 1.00 0.00 O ATOM 1513 CG2 THR A 98 -5.559 -6.651 -1.396 1.00 0.00 C ATOM 0 H THR A 98 -4.960 -6.523 1.625 1.00 0.00 H new ATOM 0 HA THR A 98 -6.872 -8.678 1.086 1.00 0.00 H new ATOM 0 HB THR A 98 -7.507 -6.857 -0.502 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.710 -8.747 -1.707 1.00 0.00 H new ATOM 0 HG21 THR A 98 -5.965 -6.302 -2.345 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.272 -5.794 -0.787 1.00 0.00 H new ATOM 0 HG23 THR A 98 -4.683 -7.273 -1.582 1.00 0.00 H new ATOM 1521 N THR A 99 -5.012 -10.114 0.378 1.00 0.00 N ATOM 1522 CA THR A 99 -3.886 -10.991 0.103 1.00 0.00 C ATOM 1523 C THR A 99 -4.093 -11.724 -1.224 1.00 0.00 C ATOM 1524 O THR A 99 -3.306 -12.598 -1.584 1.00 0.00 O ATOM 1525 CB THR A 99 -3.716 -11.932 1.297 1.00 0.00 C ATOM 1526 OG1 THR A 99 -4.793 -12.856 1.166 1.00 0.00 O ATOM 1527 CG2 THR A 99 -3.983 -11.236 2.633 1.00 0.00 C ATOM 0 H THR A 99 -5.920 -10.579 0.398 1.00 0.00 H new ATOM 0 HA THR A 99 -2.963 -10.424 -0.015 1.00 0.00 H new ATOM 0 HB THR A 99 -2.706 -12.341 1.296 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.758 -13.505 1.900 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.849 -11.948 3.447 1.00 0.00 H new ATOM 0 HG22 THR A 99 -3.286 -10.407 2.757 1.00 0.00 H new ATOM 0 HG23 THR A 99 -5.005 -10.856 2.648 1.00 0.00 H new ATOM 1535 N ASP A 100 -5.156 -11.341 -1.916 1.00 0.00 N ATOM 1536 CA ASP A 100 -5.638 -12.122 -3.042 1.00 0.00 C ATOM 1537 C ASP A 100 -5.490 -11.303 -4.326 1.00 0.00 C ATOM 1538 O ASP A 100 -5.973 -11.706 -5.383 1.00 0.00 O ATOM 1539 CB ASP A 100 -7.117 -12.475 -2.875 1.00 0.00 C ATOM 1540 CG ASP A 100 -8.013 -11.316 -2.435 1.00 0.00 C ATOM 1541 OD1 ASP A 100 -8.045 -10.310 -3.176 1.00 0.00 O ATOM 1542 OD2 ASP A 100 -8.646 -11.461 -1.367 1.00 0.00 O ATOM 0 H ASP A 100 -5.697 -10.499 -1.718 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.052 -13.039 -3.091 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -7.491 -12.864 -3.822 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -7.203 -13.279 -2.144 1.00 0.00 H new ATOM 1547 N HIS A 101 -4.818 -10.169 -4.192 1.00 0.00 N ATOM 1548 CA HIS A 101 -4.550 -9.318 -5.339 1.00 0.00 C ATOM 1549 C HIS A 101 -5.872 -8.878 -5.972 1.00 0.00 C ATOM 1550 O HIS A 101 -6.305 -9.449 -6.972 1.00 0.00 O ATOM 1551 CB HIS A 101 -3.622 -10.021 -6.331 1.00 0.00 C ATOM 1552 CG HIS A 101 -3.112 -9.126 -7.436 1.00 0.00 C ATOM 1553 ND1 HIS A 101 -2.270 -8.053 -7.202 1.00 0.00 N ATOM 1554 CD2 HIS A 101 -3.333 -9.156 -8.781 1.00 0.00 C ATOM 1555 CE1 HIS A 101 -2.003 -7.470 -8.362 1.00 0.00 C ATOM 1556 NE2 HIS A 101 -2.664 -8.155 -9.339 1.00 0.00 N ATOM 0 H HIS A 101 -4.451 -9.820 -3.307 1.00 0.00 H new ATOM 0 HA HIS A 101 -4.026 -8.419 -5.015 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -2.771 -10.432 -5.788 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -4.153 -10.863 -6.775 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -3.948 -9.873 -9.304 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -1.373 -6.605 -8.508 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -2.647 -7.934 -10.335 1.00 0.00 H new ATOM 1564 N TYR A 102 -6.475 -7.868 -5.364 1.00 0.00 N ATOM 1565 CA TYR A 102 -7.452 -7.050 -6.062 1.00 0.00 C ATOM 1566 C TYR A 102 -8.636 -7.895 -6.537 1.00 0.00 C ATOM 1567 O TYR A 102 -9.282 -7.562 -7.529 1.00 0.00 O ATOM 1568 CB TYR A 102 -6.728 -6.477 -7.281 1.00 0.00 C ATOM 1569 CG TYR A 102 -7.483 -5.343 -7.978 1.00 0.00 C ATOM 1570 CD1 TYR A 102 -7.528 -4.089 -7.403 1.00 0.00 C ATOM 1571 CD2 TYR A 102 -8.120 -5.574 -9.180 1.00 0.00 C ATOM 1572 CE1 TYR A 102 -8.239 -3.022 -8.059 1.00 0.00 C ATOM 1573 CE2 TYR A 102 -8.831 -4.507 -9.836 1.00 0.00 C ATOM 1574 CZ TYR A 102 -8.856 -3.284 -9.243 1.00 0.00 C ATOM 1575 OH TYR A 102 -9.527 -2.276 -9.862 1.00 0.00 O ATOM 0 H TYR A 102 -6.306 -7.597 -4.395 1.00 0.00 H new ATOM 0 HA TYR A 102 -7.842 -6.273 -5.404 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -5.749 -6.111 -6.970 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -6.555 -7.279 -7.998 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -7.030 -3.908 -6.462 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -8.085 -6.556 -9.629 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -8.281 -2.036 -7.621 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -9.333 -4.675 -10.778 1.00 0.00 H new ATOM 0 HH TYR A 102 -9.917 -2.607 -10.698 1.00 0.00 H new ATOM 1585 N ALA A 103 -8.883 -8.973 -5.807 1.00 0.00 N ATOM 1586 CA ALA A 103 -10.076 -9.772 -6.033 1.00 0.00 C ATOM 1587 C ALA A 103 -11.130 -9.413 -4.984 1.00 0.00 C ATOM 1588 O ALA A 103 -12.238 -9.004 -5.327 1.00 0.00 O ATOM 1589 CB ALA A 103 -9.708 -11.257 -6.006 1.00 0.00 C ATOM 0 H ALA A 103 -8.278 -9.312 -5.059 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.501 -9.559 -7.014 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.602 -11.857 -6.175 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.978 -11.465 -6.788 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.281 -11.508 -5.035 1.00 0.00 H new ATOM 1595 N THR A 104 -10.749 -9.579 -3.726 1.00 0.00 N ATOM 1596 CA THR A 104 -11.622 -9.212 -2.624 1.00 0.00 C ATOM 1597 C THR A 104 -10.841 -8.437 -1.561 1.00 0.00 C ATOM 1598 O THR A 104 -9.618 -8.333 -1.636 1.00 0.00 O ATOM 1599 CB THR A 104 -12.271 -10.490 -2.090 1.00 0.00 C ATOM 1600 OG1 THR A 104 -11.181 -11.396 -1.936 1.00 0.00 O ATOM 1601 CG2 THR A 104 -13.173 -11.166 -3.125 1.00 0.00 C ATOM 0 H THR A 104 -9.847 -9.963 -3.445 1.00 0.00 H new ATOM 0 HA THR A 104 -12.415 -8.541 -2.954 1.00 0.00 H new ATOM 0 HB THR A 104 -12.853 -10.255 -1.199 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.391 -10.907 -1.625 1.00 0.00 H new ATOM 0 HG21 THR A 104 -13.608 -12.068 -2.695 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.970 -10.481 -3.416 1.00 0.00 H new ATOM 0 HG23 THR A 104 -12.584 -11.431 -4.003 1.00 0.00 H new ATOM 1609 N PHE A 105 -11.581 -7.913 -0.595 1.00 0.00 N ATOM 1610 CA PHE A 105 -10.975 -7.144 0.479 1.00 0.00 C ATOM 1611 C PHE A 105 -11.634 -7.463 1.822 1.00 0.00 C ATOM 1612 O PHE A 105 -12.698 -8.079 1.865 1.00 0.00 O ATOM 1613 CB PHE A 105 -11.199 -5.666 0.153 1.00 0.00 C ATOM 1614 CG PHE A 105 -10.284 -5.127 -0.949 1.00 0.00 C ATOM 1615 CD1 PHE A 105 -10.675 -5.191 -2.250 1.00 0.00 C ATOM 1616 CD2 PHE A 105 -9.080 -4.583 -0.627 1.00 0.00 C ATOM 1617 CE1 PHE A 105 -9.826 -4.690 -3.272 1.00 0.00 C ATOM 1618 CE2 PHE A 105 -8.231 -4.082 -1.649 1.00 0.00 C ATOM 1619 CZ PHE A 105 -8.622 -4.146 -2.950 1.00 0.00 C ATOM 0 H PHE A 105 -12.595 -8.006 -0.534 1.00 0.00 H new ATOM 0 HA PHE A 105 -9.915 -7.387 0.558 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -12.237 -5.524 -0.149 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -11.047 -5.078 1.058 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -11.631 -5.623 -2.506 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -8.769 -4.532 0.406 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -10.137 -4.741 -4.305 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -7.275 -3.650 -1.393 1.00 0.00 H new ATOM 0 HZ PHE A 105 -7.976 -3.765 -3.727 1.00 0.00 H new ATOM 1629 N THR A 106 -10.975 -7.030 2.887 1.00 0.00 N ATOM 1630 CA THR A 106 -11.567 -7.096 4.212 1.00 0.00 C ATOM 1631 C THR A 106 -11.215 -5.843 5.016 1.00 0.00 C ATOM 1632 O THR A 106 -10.063 -5.411 5.026 1.00 0.00 O ATOM 1633 CB THR A 106 -11.100 -8.394 4.874 1.00 0.00 C ATOM 1634 OG1 THR A 106 -11.473 -9.410 3.947 1.00 0.00 O ATOM 1635 CG2 THR A 106 -11.901 -8.729 6.134 1.00 0.00 C ATOM 0 H THR A 106 -10.036 -6.632 2.859 1.00 0.00 H new ATOM 0 HA THR A 106 -12.656 -7.115 4.159 1.00 0.00 H new ATOM 0 HB THR A 106 -10.043 -8.313 5.126 1.00 0.00 H new ATOM 0 HG1 THR A 106 -11.206 -10.286 4.296 1.00 0.00 H new ATOM 0 HG21 THR A 106 -11.530 -9.659 6.565 1.00 0.00 H new ATOM 0 HG22 THR A 106 -11.791 -7.923 6.860 1.00 0.00 H new ATOM 0 HG23 THR A 106 -12.954 -8.844 5.876 1.00 0.00 H new ATOM 1643 N ARG A 107 -12.228 -5.296 5.671 1.00 0.00 N ATOM 1644 CA ARG A 107 -12.048 -4.080 6.447 1.00 0.00 C ATOM 1645 C ARG A 107 -11.252 -4.376 7.720 1.00 0.00 C ATOM 1646 O ARG A 107 -11.513 -5.364 8.404 1.00 0.00 O ATOM 1647 CB ARG A 107 -13.396 -3.465 6.828 1.00 0.00 C ATOM 1648 CG ARG A 107 -13.248 -1.977 7.150 1.00 0.00 C ATOM 1649 CD ARG A 107 -14.575 -1.385 7.630 1.00 0.00 C ATOM 1650 NE ARG A 107 -14.367 -0.003 8.115 1.00 0.00 N ATOM 1651 CZ ARG A 107 -15.261 0.681 8.841 1.00 0.00 C ATOM 1652 NH1 ARG A 107 -16.502 0.202 9.001 1.00 0.00 N ATOM 1653 NH2 ARG A 107 -14.915 1.845 9.408 1.00 0.00 N ATOM 0 H ARG A 107 -13.176 -5.672 5.681 1.00 0.00 H new ATOM 0 HA ARG A 107 -11.500 -3.370 5.828 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -14.104 -3.595 6.009 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -13.808 -3.988 7.691 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -12.486 -1.841 7.918 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -12.906 -1.442 6.264 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -15.300 -1.388 6.816 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -14.990 -2.001 8.428 1.00 0.00 H new ATOM 0 HE ARG A 107 -13.487 0.458 7.882 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -16.766 -0.684 8.570 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -17.182 0.723 9.554 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -13.970 2.210 9.287 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -15.596 2.365 9.961 1.00 0.00 H new ATOM 1667 N ILE A 108 -10.297 -3.501 7.999 1.00 0.00 N ATOM 1668 CA ILE A 108 -9.442 -3.671 9.162 1.00 0.00 C ATOM 1669 C ILE A 108 -9.868 -2.684 10.250 1.00 0.00 C ATOM 1670 O ILE A 108 -9.916 -3.035 11.428 1.00 0.00 O ATOM 1671 CB ILE A 108 -7.969 -3.553 8.767 1.00 0.00 C ATOM 1672 CG1 ILE A 108 -7.448 -2.135 9.007 1.00 0.00 C ATOM 1673 CG2 ILE A 108 -7.751 -4.007 7.322 1.00 0.00 C ATOM 1674 CD1 ILE A 108 -7.263 -1.865 10.501 1.00 0.00 C ATOM 0 H ILE A 108 -10.096 -2.672 7.440 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.557 -4.673 9.576 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.390 -4.220 9.405 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -6.498 -2.000 8.489 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -8.146 -1.411 8.587 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -6.696 -3.913 7.066 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.059 -5.047 7.217 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.343 -3.384 6.652 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -6.892 -0.850 10.644 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.219 -1.977 11.012 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -6.546 -2.575 10.913 1.00 0.00 H new ATOM 1686 N ARG A 109 -10.166 -1.467 9.818 1.00 0.00 N ATOM 1687 CA ARG A 109 -10.709 -0.465 10.718 1.00 0.00 C ATOM 1688 C ARG A 109 -12.109 -0.870 11.182 1.00 0.00 C ATOM 1689 O ARG A 109 -12.929 -1.194 10.295 1.00 0.00 O ATOM 1690 CB ARG A 109 -10.780 0.904 10.040 1.00 0.00 C ATOM 1691 CG ARG A 109 -11.126 2.000 11.050 1.00 0.00 C ATOM 1692 CD ARG A 109 -11.119 3.379 10.388 1.00 0.00 C ATOM 1693 NE ARG A 109 -11.370 4.429 11.400 1.00 0.00 N ATOM 1694 CZ ARG A 109 -11.502 5.731 11.116 1.00 0.00 C ATOM 1695 NH1 ARG A 109 -11.391 6.155 9.849 1.00 0.00 N ATOM 1696 NH2 ARG A 109 -11.746 6.610 12.097 1.00 0.00 N ATOM 0 H ARG A 109 -10.041 -1.153 8.856 1.00 0.00 H new ATOM 0 HA ARG A 109 -10.043 -0.397 11.578 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -9.824 1.129 9.567 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -11.530 0.884 9.249 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -12.108 1.805 11.481 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.408 1.983 11.870 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -10.159 3.553 9.902 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -11.882 3.422 9.611 1.00 0.00 H new ATOM 0 HE ARG A 109 -11.447 4.143 12.376 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -11.206 5.486 9.102 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -11.492 7.147 9.632 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -11.831 6.288 13.061 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -11.846 7.602 11.880 1.00 0.00 H new